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)c1ccc(/C=C2/SC(=S)N(CC[NH+]3CCOCC3)C2=O)cc1 ZINC000096930790 203834806 /nfs/dbraw/zinc/83/48/06/203834806.db2.gz UPYUPGGHGYMKHL-GHRIWEEISA-N 1 2 376.547 3.343 10 10 GGCELO C[C@@H]([NH2+]Cc1cccnc1-n1cncn1)c1cc(Br)cc(F)c1O ZINC000185025581 565173108 /nfs/dbraw/zinc/17/31/08/565173108.db2.gz HQXRGJITPLPXKN-SNVBAGLBSA-N 1 2 392.232 3.120 10 10 GGCELO CCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cc(Br)cc(F)c1O)CC2 ZINC000185995623 565233562 /nfs/dbraw/zinc/23/35/62/565233562.db2.gz MUEOMZZAQXONNK-KOLCDFICSA-N 1 2 383.265 3.113 10 10 GGCELO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cc(Br)cc(F)c1O)CC2 ZINC000185995566 565233945 /nfs/dbraw/zinc/23/39/45/565233945.db2.gz MUEOMZZAQXONNK-GXSJLCMTSA-N 1 2 383.265 3.113 10 10 GGCELO C[C@@H]([NH2+][C@H](CO)c1cccc(Br)c1)c1cc([N+](=O)[O-])ccc1O ZINC000273457896 565321709 /nfs/dbraw/zinc/32/17/09/565321709.db2.gz HIVMTBWCDNFIOV-MEBBXXQBSA-N 1 2 381.226 3.447 10 10 GGCELO COc1cc(Br)cc(C[NH2+][C@@H](c2nnc[nH]2)c2ccccc2)c1O ZINC000364678451 566064489 /nfs/dbraw/zinc/06/44/89/566064489.db2.gz PSBSPCOUDZRNCT-OAHLLOKOSA-N 1 2 389.253 3.161 10 10 GGCELO CO[C@H]1C[C@@H](c2nc(C)no2)[N@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000248806102 566089970 /nfs/dbraw/zinc/08/99/70/566089970.db2.gz BFMAYFRIKZHSPT-KBPBESRZSA-N 1 2 382.258 3.117 10 10 GGCELO Cc1cc(Br)c(O)c(CN2CCC(C)([NH+]3CCOCC3)CC2)c1 ZINC000529663377 567537554 /nfs/dbraw/zinc/53/75/54/567537554.db2.gz KTWIUIDIVPJZOF-UHFFFAOYSA-N 1 2 383.330 3.150 10 10 GGCELO Cc1ccc2[nH]c(N3CCC(C(=O)NCc4ccc(N(C)C)cc4)CC3)[nH+]c2c1 ZINC000033070869 570401024 /nfs/dbraw/zinc/40/10/24/570401024.db2.gz HAQLMRIXWXCBNV-UHFFFAOYSA-N 1 2 391.519 3.470 10 10 GGCELO Cc1cc(C)c(NC(=O)C[N@@H+](C)Cc2cc(=O)oc3cc(O)c(O)cc23)c(C)c1 ZINC000012988413 570737983 /nfs/dbraw/zinc/73/79/83/570737983.db2.gz FXYMSYCVSVQRBA-UHFFFAOYSA-N 1 2 396.443 3.200 10 10 GGCELO Cc1cc(C)c(NC(=O)C[N@H+](C)Cc2cc(=O)oc3cc(O)c(O)cc23)c(C)c1 ZINC000012988413 570737986 /nfs/dbraw/zinc/73/79/86/570737986.db2.gz FXYMSYCVSVQRBA-UHFFFAOYSA-N 1 2 396.443 3.200 10 10 GGCELO Cc1cc(C(=O)C[NH+]2CCC(N3CCNC3=O)CC2)c(C)n1-c1ccccc1C ZINC000053285664 1406355459 /nfs/dbraw/zinc/35/54/59/1406355459.db2.gz ASNRCUKESZCGIE-UHFFFAOYSA-N 1 2 394.519 3.075 10 10 GGCELO Cc1ccc(S(=O)(=O)N2CC[NH+](Cc3cc(C(C)C)ccc3O)CC2)cc1 ZINC000019313364 1399329218 /nfs/dbraw/zinc/32/92/18/1399329218.db2.gz IYJLDWAHRRCHFK-UHFFFAOYSA-N 1 2 388.533 3.331 10 10 GGCELO O=C1C2(c3ccccc3)CN3CC1(c1ccccc1)C[NH+](C2)C3c1ccccc1O ZINC000019329275 1399329862 /nfs/dbraw/zinc/32/98/62/1399329862.db2.gz XNDFBLIYRQONRB-UHFFFAOYSA-N 1 2 396.490 3.481 10 10 GGCELO CCOc1ccc(O)c(C[NH+]2CCN(C(=O)c3ccc(F)cc3F)CC2)c1 ZINC000093006672 1410215348 /nfs/dbraw/zinc/21/53/48/1410215348.db2.gz GUFDYCWWMODVHG-UHFFFAOYSA-N 1 2 376.403 3.027 10 10 GGCELO Cc1cc(C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)c(C)n1-c1ccc(F)cc1 ZINC000174470189 1427170715 /nfs/dbraw/zinc/17/07/15/1427170715.db2.gz GLDKGZXORDGQAW-HXUWFJFHSA-N 1 2 385.483 3.170 10 10 GGCELO COc1c(O)c2c(O)cc(-c3ccc(O)cc3)oc-2c([C@H]2CCC[N@@H+]2C)c1=O ZINC000000900079 206290647 /nfs/dbraw/zinc/29/06/47/206290647.db2.gz MHPSUMPGWBYSSV-CYBMUJFWSA-N 1 2 383.400 3.352 10 10 in-vitro GGCELO COc1c(O)c2c(O)cc(-c3ccc(O)cc3)oc-2c([C@H]2CCC[N@H+]2C)c1=O ZINC000000900079 206290650 /nfs/dbraw/zinc/29/06/50/206290650.db2.gz MHPSUMPGWBYSSV-CYBMUJFWSA-N 1 2 383.400 3.352 10 10 in-vitro GGCELO O=C1/C(=C/c2ccc3ccccc3c2)SC(=S)N1CC[NH+]1CCOCC1 ZINC000014187272 207013486 /nfs/dbraw/zinc/01/34/86/207013486.db2.gz KHMDKJQFRQASNO-JXAWBTAJSA-N 1 2 384.526 3.373 10 10 GGCELO CO[C@H]1CN(Cc2ccccc2)C(=O)C[N@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000014749884 207029201 /nfs/dbraw/zinc/02/92/01/207029201.db2.gz ULDPRWNAPOSING-BWAMLYQTSA-N 1 2 393.531 3.125 10 10 GGCELO CO[C@H]1CN(Cc2ccccc2)C(=O)C[N@@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000014749884 207029206 /nfs/dbraw/zinc/02/92/06/207029206.db2.gz ULDPRWNAPOSING-BWAMLYQTSA-N 1 2 393.531 3.125 10 10 GGCELO O=C1N=C(N2CC[NH+](Cc3ccc(F)cc3)CC2)S/C1=C/c1ccccc1O ZINC000020413978 207191467 /nfs/dbraw/zinc/19/14/67/207191467.db2.gz YKJBTPWSBZQKBZ-CPNJWEJPSA-N 1 2 397.475 3.319 10 10 GGCELO O=C1N=C(N2CC[NH+](Cc3ccc(F)cc3)CC2)S/C1=C/c1cccc(O)c1 ZINC000020413979 207192234 /nfs/dbraw/zinc/19/22/34/207192234.db2.gz SWMDYGXCPFATRP-CPNJWEJPSA-N 1 2 397.475 3.319 10 10 GGCELO Cc1cc(O)c(C[NH+]2CCN(S(=O)(=O)c3cccs3)CC2)cc1C(C)C ZINC000025719047 207305425 /nfs/dbraw/zinc/30/54/25/207305425.db2.gz WLAVXTXZILOMOB-UHFFFAOYSA-N 1 2 394.562 3.392 10 10 GGCELO O=C1N=C(N2CC[NH+](Cc3ccc(F)cc3)CC2)S/C1=C/c1cccnc1 ZINC000096854172 208324725 /nfs/dbraw/zinc/32/47/25/208324725.db2.gz LUUCYYASGSEUJB-LDADJPATSA-N 1 2 382.464 3.009 10 10 GGCELO COc1ccc(N2CC[NH+]([C@H](CNC(=O)C(C)(C)C)c3cccnc3)CC2)cc1 ZINC000058133936 136154586 /nfs/dbraw/zinc/15/45/86/136154586.db2.gz MKOBLDIBGQQWLO-OAQYLSRUSA-N 1 2 396.535 3.116 10 10 GGCELO Oc1c(Br)cc(Br)cc1C[NH2+][C@H]1CC[C@H](O)CC1 ZINC000261506599 209080117 /nfs/dbraw/zinc/08/01/17/209080117.db2.gz GEDPQKGMHLHFOZ-XYPYZODXSA-N 1 2 379.092 3.310 10 10 in-man GGCELO C[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])C1CC[NH+](CCn2cccn2)CC1 ZINC000121216501 564359796 /nfs/dbraw/zinc/35/97/96/564359796.db2.gz GVAWVKZQFROJBR-UHFFFAOYSA-N 1 2 383.323 3.492 10 10 GGCELO C[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])C1CC[NH+](CCn2cccn2)CC1 ZINC000121216501 564359800 /nfs/dbraw/zinc/35/98/00/564359800.db2.gz GVAWVKZQFROJBR-UHFFFAOYSA-N 1 2 383.323 3.492 10 10 GGCELO COc1cc(Br)cc(C[N@@H+]2CCO[C@H](c3cccc(O)c3)C2)c1O ZINC000093457602 564886877 /nfs/dbraw/zinc/88/68/77/564886877.db2.gz FTRKKFCNETUCSS-KRWDZBQOSA-N 1 2 394.265 3.442 10 10 GGCELO COc1cc(Br)cc(C[N@H+]2CCO[C@H](c3cccc(O)c3)C2)c1O ZINC000093457602 564886880 /nfs/dbraw/zinc/88/68/80/564886880.db2.gz FTRKKFCNETUCSS-KRWDZBQOSA-N 1 2 394.265 3.442 10 10 GGCELO O=C1/C(=C/c2cccc(Cl)c2F)SC(=S)N1CC[NH+]1CCOCC1 ZINC000268423992 565151213 /nfs/dbraw/zinc/15/12/13/565151213.db2.gz QUTPZXFPNUESPW-RAXLEYEMSA-N 1 2 386.901 3.013 10 10 GGCELO O=C1/C(=C/c2cc(F)cc(Cl)c2)SC(=S)N1CC[NH+]1CCOCC1 ZINC000275080601 565392907 /nfs/dbraw/zinc/39/29/07/565392907.db2.gz IPGUJUJFXPSGNN-ZROIWOOFSA-N 1 2 386.901 3.013 10 10 GGCELO CO[C@H]1C[C@H](c2nc(C)no2)[N@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000190148913 565511881 /nfs/dbraw/zinc/51/18/81/565511881.db2.gz BFMAYFRIKZHSPT-UONOGXRCSA-N 1 2 382.258 3.117 10 10 GGCELO CO[C@H]1C[C@H](c2nc(C)no2)[N@@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000190148913 565511884 /nfs/dbraw/zinc/51/18/84/565511884.db2.gz BFMAYFRIKZHSPT-UONOGXRCSA-N 1 2 382.258 3.117 10 10 GGCELO CO[C@@H]1C[C@H](c2nc(C)no2)[N@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000190148890 565511927 /nfs/dbraw/zinc/51/19/27/565511927.db2.gz BFMAYFRIKZHSPT-ZIAGYGMSSA-N 1 2 382.258 3.117 10 10 GGCELO CO[C@@H]1C[C@H](c2nc(C)no2)[N@@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000190148890 565511933 /nfs/dbraw/zinc/51/19/33/565511933.db2.gz BFMAYFRIKZHSPT-ZIAGYGMSSA-N 1 2 382.258 3.117 10 10 GGCELO Cc1cc(N2CCC[C@H]([NH2+]Cc3cc(Cl)cc(Cl)c3O)C2=O)n(C)n1 ZINC000173854625 565593638 /nfs/dbraw/zinc/59/36/38/565593638.db2.gz OCQSIPJHVGYBPR-AWEZNQCLSA-N 1 2 383.279 3.026 10 10 GGCELO CCn1cc([C@@H]2C[N@H+](Cc3cc(Br)cc(C)c3O)CCO2)cn1 ZINC000191700174 565623103 /nfs/dbraw/zinc/62/31/03/565623103.db2.gz YZERLJYSWIIZLY-INIZCTEOSA-N 1 2 380.286 3.253 10 10 GGCELO CCn1cc([C@@H]2C[N@@H+](Cc3cc(Br)cc(C)c3O)CCO2)cn1 ZINC000191700174 565623105 /nfs/dbraw/zinc/62/31/05/565623105.db2.gz YZERLJYSWIIZLY-INIZCTEOSA-N 1 2 380.286 3.253 10 10 GGCELO Oc1cc2c(cc1C[N@@H+]1CCc3ccc(F)c(Br)c3C1)[C@@H](O)CO2 ZINC000527614621 567349420 /nfs/dbraw/zinc/34/94/20/567349420.db2.gz DTGQOHOOMRGTGS-INIZCTEOSA-N 1 2 394.240 3.278 10 10 GGCELO Oc1cc2c(cc1C[N@H+]1CCc3ccc(F)c(Br)c3C1)[C@@H](O)CO2 ZINC000527614621 567349424 /nfs/dbraw/zinc/34/94/24/567349424.db2.gz DTGQOHOOMRGTGS-INIZCTEOSA-N 1 2 394.240 3.278 10 10 GGCELO CN(C)c1ccc(CNC(=O)[C@H]2CCCN(c3[nH]c4ccccc4[nH+]3)C2)cc1 ZINC000033071904 570803720 /nfs/dbraw/zinc/80/37/20/570803720.db2.gz FXLMXOXYLNSVQK-KRWDZBQOSA-N 1 2 377.492 3.162 10 10 GGCELO Oc1c(Br)cccc1C[N@@H+]1CCCN(Cc2cscn2)CC1 ZINC000093016173 1410216506 /nfs/dbraw/zinc/21/65/06/1410216506.db2.gz FNYDYXMCXHVPDO-UHFFFAOYSA-N 1 2 382.327 3.319 10 10 GGCELO Oc1c(Br)cccc1C[N@H+]1CCCN(Cc2cscn2)CC1 ZINC000093016173 1410216511 /nfs/dbraw/zinc/21/65/11/1410216511.db2.gz FNYDYXMCXHVPDO-UHFFFAOYSA-N 1 2 382.327 3.319 10 10 GGCELO CN(C)c1ccc([C@H](CNC(=O)c2ccc(Cl)cc2)[NH+]2CCOCC2)cc1 ZINC000020603933 210351012 /nfs/dbraw/zinc/35/10/12/210351012.db2.gz OQIZSDZUYLWNSD-FQEVSTJZSA-N 1 2 387.911 3.209 10 10 GGCELO COc1ccc(N2CC[NH+](CC(=O)Nc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000058158692 536693790 /nfs/dbraw/zinc/69/37/90/536693790.db2.gz PKRGJOZUJUGACA-UHFFFAOYSA-N 1 2 393.409 3.475 10 10 GGCELO CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cc(Br)cc(F)c1O)CC2 ZINC000185995604 565233967 /nfs/dbraw/zinc/23/39/67/565233967.db2.gz MUEOMZZAQXONNK-MWLCHTKSSA-N 1 2 383.265 3.113 10 10 GGCELO C[C@@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)c1cc(Br)cc(F)c1O ZINC000186051148 565237274 /nfs/dbraw/zinc/23/72/74/565237274.db2.gz LSJFAGHEYBWCNE-YPMHNXCESA-N 1 2 395.276 3.403 10 10 GGCELO CC1(C[NH2+]Cc2cc(Br)cc(Br)c2O)OCCCO1 ZINC000190839103 565563325 /nfs/dbraw/zinc/56/33/25/565563325.db2.gz ODGMANAYXVTSRB-UHFFFAOYSA-N 1 2 395.091 3.160 10 10 GGCELO Fc1cc(C[NH2+]Cc2ncc(C(F)(F)F)s2)ccc1N1CCOCC1 ZINC000278650662 565570480 /nfs/dbraw/zinc/57/04/80/565570480.db2.gz MIEPXQMYSIKMRM-UHFFFAOYSA-N 1 2 375.391 3.427 10 10 GGCELO Cn1ncc(Br)c1C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000279424977 565612152 /nfs/dbraw/zinc/61/21/52/565612152.db2.gz GFPNUECDRBFRQA-AWEZNQCLSA-N 1 2 380.286 3.069 10 10 GGCELO Cn1ncc(Br)c1C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000279424977 565612156 /nfs/dbraw/zinc/61/21/56/565612156.db2.gz GFPNUECDRBFRQA-AWEZNQCLSA-N 1 2 380.286 3.069 10 10 GGCELO Cn1ncc(Br)c1C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000279424979 565612186 /nfs/dbraw/zinc/61/21/86/565612186.db2.gz GFPNUECDRBFRQA-CQSZACIVSA-N 1 2 380.286 3.069 10 10 GGCELO Cn1ncc(Br)c1C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000279424979 565612187 /nfs/dbraw/zinc/61/21/87/565612187.db2.gz GFPNUECDRBFRQA-CQSZACIVSA-N 1 2 380.286 3.069 10 10 GGCELO CCn1cc([C@H]2C[N@H+](Cc3cc(Br)cc(C)c3O)CCO2)cn1 ZINC000191700187 565622921 /nfs/dbraw/zinc/62/29/21/565622921.db2.gz YZERLJYSWIIZLY-MRXNPFEDSA-N 1 2 380.286 3.253 10 10 GGCELO CCn1cc([C@H]2C[N@@H+](Cc3cc(Br)cc(C)c3O)CCO2)cn1 ZINC000191700187 565622925 /nfs/dbraw/zinc/62/29/25/565622925.db2.gz YZERLJYSWIIZLY-MRXNPFEDSA-N 1 2 380.286 3.253 10 10 GGCELO C[C@](CO)([NH2+]Cc1cc([N+](=O)[O-])ccc1O)c1ccc(Br)cc1 ZINC000285401611 565905496 /nfs/dbraw/zinc/90/54/96/565905496.db2.gz IJKLIRWUQNTCCH-MRXNPFEDSA-N 1 2 381.226 3.060 10 10 GGCELO CCC(NCCc1c[nH]c[nH+]1)=C1C(C)=NN(c2nc3ccccc3s2)C1=O ZINC000101771917 570285145 /nfs/dbraw/zinc/28/51/45/570285145.db2.gz LBPXSOPOKYBZBT-SAPNQHFASA-N 1 2 380.477 3.238 10 10 GGCELO CCC(NCCc1c[nH+]c[nH]1)=C1C(C)=NN(c2nc3ccccc3s2)C1=O ZINC000101771917 570285148 /nfs/dbraw/zinc/28/51/48/570285148.db2.gz LBPXSOPOKYBZBT-SAPNQHFASA-N 1 2 380.477 3.238 10 10 GGCELO Cc1cc(C(=O)C[NH+]2CCC(N3CCNC3=O)CC2)c(C)n1-c1ccc(C)cc1 ZINC000053283312 1406354643 /nfs/dbraw/zinc/35/46/43/1406354643.db2.gz ABXPXGDWQIOHGO-UHFFFAOYSA-N 1 2 394.519 3.075 10 10 GGCELO COc1ccc(N2CC[NH+](CC(=O)N(C)[C@@H]3CCCc4ccccc43)CC2)cc1 ZINC000055531140 1406992367 /nfs/dbraw/zinc/99/23/67/1406992367.db2.gz FFSLQLOSMNQWBB-HSZRJFAPSA-N 1 2 393.531 3.353 10 10 GGCELO COc1ccc(-n2c(C)cc(C(=O)N3CCC[C@@H]3C[NH+]3CCOCC3)c2C)cc1 ZINC000174485983 1427177604 /nfs/dbraw/zinc/17/76/04/1427177604.db2.gz DDPYZTDEIYZZQY-HXUWFJFHSA-N 1 2 397.519 3.040 10 10 GGCELO O=C1C[C@H]([N@@H+]2CCC[C@@H](O)C2)C(=O)N1c1ccc(N=Nc2ccccc2)cc1 ZINC000254766358 1433871969 /nfs/dbraw/zinc/87/19/69/1433871969.db2.gz YUQYYLXVHCWDMG-MOPGFXCFSA-N 1 2 378.432 3.191 10 10 GGCELO O=C1C[C@H]([N@H+]2CCC[C@@H](O)C2)C(=O)N1c1ccc(N=Nc2ccccc2)cc1 ZINC000254766358 1433871970 /nfs/dbraw/zinc/87/19/70/1433871970.db2.gz YUQYYLXVHCWDMG-MOPGFXCFSA-N 1 2 378.432 3.191 10 10 GGCELO O=C1C[C@H]([N@@H+]2CCC[C@H](O)C2)C(=O)N1c1ccc(N=Nc2ccccc2)cc1 ZINC000254766362 1433872033 /nfs/dbraw/zinc/87/20/33/1433872033.db2.gz YUQYYLXVHCWDMG-OALUTQOASA-N 1 2 378.432 3.191 10 10 GGCELO O=C1C[C@H]([N@H+]2CCC[C@H](O)C2)C(=O)N1c1ccc(N=Nc2ccccc2)cc1 ZINC000254766362 1433872034 /nfs/dbraw/zinc/87/20/34/1433872034.db2.gz YUQYYLXVHCWDMG-OALUTQOASA-N 1 2 378.432 3.191 10 10 GGCELO COc1c(O)c2c(O)cc(-c3ccc(O)cc3)oc-2c([C@@H]2CCC[N@@H+]2C)c1=O ZINC000000900074 212193700 /nfs/dbraw/zinc/19/37/00/212193700.db2.gz MHPSUMPGWBYSSV-ZDUSSCGKSA-N 1 2 383.400 3.352 10 10 in-vitro GGCELO COc1c(O)c2c(O)cc(-c3ccc(O)cc3)oc-2c([C@@H]2CCC[N@H+]2C)c1=O ZINC000000900074 212193703 /nfs/dbraw/zinc/19/37/03/212193703.db2.gz MHPSUMPGWBYSSV-ZDUSSCGKSA-N 1 2 383.400 3.352 10 10 in-vitro GGCELO CC(C)c1ccc(/C=C2\SC(=S)N(CC[NH+]3CCOCC3)C2=O)cc1 ZINC000012750407 221224565 /nfs/dbraw/zinc/22/45/65/221224565.db2.gz UPYUPGGHGYMKHL-LGMDPLHJSA-N 1 2 376.547 3.343 10 10 GGCELO COc1cc(Br)cc(C[N@@H+]2CCO[C@H](c3nccs3)C2)c1O ZINC000092831326 564882498 /nfs/dbraw/zinc/88/24/98/564882498.db2.gz BEYVIOCJTRVADV-ZDUSSCGKSA-N 1 2 385.283 3.193 10 10 GGCELO COc1cc(Br)cc(C[N@H+]2CCO[C@H](c3nccs3)C2)c1O ZINC000092831326 564882502 /nfs/dbraw/zinc/88/25/02/564882502.db2.gz BEYVIOCJTRVADV-ZDUSSCGKSA-N 1 2 385.283 3.193 10 10 GGCELO COc1cc(Br)cc(C[N@@H+]2CCO[C@@H](c3nccs3)C2)c1O ZINC000092831327 564882810 /nfs/dbraw/zinc/88/28/10/564882810.db2.gz BEYVIOCJTRVADV-CYBMUJFWSA-N 1 2 385.283 3.193 10 10 GGCELO COc1cc(Br)cc(C[N@H+]2CCO[C@@H](c3nccs3)C2)c1O ZINC000092831327 564882814 /nfs/dbraw/zinc/88/28/14/564882814.db2.gz BEYVIOCJTRVADV-CYBMUJFWSA-N 1 2 385.283 3.193 10 10 GGCELO COCc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000185775341 565219901 /nfs/dbraw/zinc/21/99/01/565219901.db2.gz YAXINCWIAXGRQH-TVQRCGJNSA-N 1 2 399.264 3.217 10 10 GGCELO C[C@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)c1cc(Br)cc(F)c1O ZINC000186051132 565237001 /nfs/dbraw/zinc/23/70/01/565237001.db2.gz LSJFAGHEYBWCNE-AAEUAGOBSA-N 1 2 395.276 3.403 10 10 GGCELO C[C@H]([NH2+][C@@H](CO)c1cccc(Br)c1)c1cc([N+](=O)[O-])ccc1O ZINC000273457894 565321649 /nfs/dbraw/zinc/32/16/49/565321649.db2.gz HIVMTBWCDNFIOV-BONVTDFDSA-N 1 2 381.226 3.447 10 10 GGCELO CCN(Cc1cc(Br)ccc1O)C(=O)NCc1[nH+]ccn1CC ZINC000298253057 565406133 /nfs/dbraw/zinc/40/61/33/565406133.db2.gz YVFAUUGAKVKAFP-UHFFFAOYSA-N 1 2 381.274 3.103 10 10 GGCELO C[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000277506391 565502197 /nfs/dbraw/zinc/50/21/97/565502197.db2.gz OIITXQFUEYPAED-PELKAZGASA-N 1 2 379.092 3.432 10 10 GGCELO COc1cc(Br)cc(C[NH2+][C@H](c2nnc[nH]2)c2ccccc2)c1O ZINC000364678450 566064291 /nfs/dbraw/zinc/06/42/91/566064291.db2.gz PSBSPCOUDZRNCT-HNNXBMFYSA-N 1 2 389.253 3.161 10 10 GGCELO Oc1ccc(Br)cc1C[N@H+]1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000180721318 566084308 /nfs/dbraw/zinc/08/43/08/566084308.db2.gz SFBIQTOAIQQBLB-HOCLYGCPSA-N 1 2 382.254 3.072 10 10 GGCELO Oc1ccc(Br)cc1C[N@@H+]1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000180721318 566084313 /nfs/dbraw/zinc/08/43/13/566084313.db2.gz SFBIQTOAIQQBLB-HOCLYGCPSA-N 1 2 382.254 3.072 10 10 GGCELO O=C(NCc1ccccc1)c1cc2ccccc2c(C[NH+]2CCOCC2)c1O ZINC000035587953 570402053 /nfs/dbraw/zinc/40/20/53/570402053.db2.gz NEIDFJIQECWXCY-UHFFFAOYSA-N 1 2 376.456 3.308 10 10 GGCELO CCN(Cc1cccc(F)c1)C(=O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000066863674 1408935221 /nfs/dbraw/zinc/93/52/21/1408935221.db2.gz GOEHMTFWQKGYDD-UHFFFAOYSA-N 1 2 385.483 3.005 10 10 GGCELO O=C1COc2ccccc2N1CCC[NH2+]Cc1cccc(Br)c1O ZINC000174521930 1427201224 /nfs/dbraw/zinc/20/12/24/1427201224.db2.gz CQQOAENWLONCRK-UHFFFAOYSA-N 1 2 391.265 3.060 10 10 GGCELO O=C1C[C@@H]([N@@H+]2CCC[C@H](O)C2)C(=O)N1c1ccc(N=Nc2ccccc2)cc1 ZINC000254766364 1433871982 /nfs/dbraw/zinc/87/19/82/1433871982.db2.gz YUQYYLXVHCWDMG-RBUKOAKNSA-N 1 2 378.432 3.191 10 10 GGCELO O=C1C[C@@H]([N@H+]2CCC[C@H](O)C2)C(=O)N1c1ccc(N=Nc2ccccc2)cc1 ZINC000254766364 1433871983 /nfs/dbraw/zinc/87/19/83/1433871983.db2.gz YUQYYLXVHCWDMG-RBUKOAKNSA-N 1 2 378.432 3.191 10 10 GGCELO O=C1C[C@@H]([N@@H+]2CCC[C@@H](O)C2)C(=O)N1c1ccc(N=Nc2ccccc2)cc1 ZINC000254766366 1433872029 /nfs/dbraw/zinc/87/20/29/1433872029.db2.gz YUQYYLXVHCWDMG-RTBURBONSA-N 1 2 378.432 3.191 10 10 GGCELO O=C1C[C@@H]([N@H+]2CCC[C@@H](O)C2)C(=O)N1c1ccc(N=Nc2ccccc2)cc1 ZINC000254766366 1433872030 /nfs/dbraw/zinc/87/20/30/1433872030.db2.gz YUQYYLXVHCWDMG-RTBURBONSA-N 1 2 378.432 3.191 10 10 GGCELO Cc1cc(C)c(/C=C2/SC(=S)N(CC[NH+]3CCOCC3)C2=O)cc1C ZINC000096935906 203834116 /nfs/dbraw/zinc/83/41/16/203834116.db2.gz TZMWJAPYKLWNQA-SFQUDFHCSA-N 1 2 376.547 3.145 10 10 GGCELO C[C@H]1COCC[C@@H]1[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000277506405 565502626 /nfs/dbraw/zinc/50/26/26/565502626.db2.gz OIITXQFUEYPAED-UFBFGSQYSA-N 1 2 379.092 3.432 10 10 GGCELO C[C@H]([NH2+]C1CCN(c2ncccn2)CC1)c1cc(Br)cc(F)c1O ZINC000185023585 565173256 /nfs/dbraw/zinc/17/32/56/565173256.db2.gz MXMRDMRCAOXDTH-NSHDSACASA-N 1 2 395.276 3.403 10 10 GGCELO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cc(Br)cc(F)c1O)CC2 ZINC000185995585 565233541 /nfs/dbraw/zinc/23/35/41/565233541.db2.gz MUEOMZZAQXONNK-ONGXEEELSA-N 1 2 383.265 3.113 10 10 GGCELO Cc1cc(N2CCC[C@@H]([NH2+]Cc3cc(Cl)cc(Cl)c3O)C2=O)n(C)n1 ZINC000173854638 565593406 /nfs/dbraw/zinc/59/34/06/565593406.db2.gz OCQSIPJHVGYBPR-CQSZACIVSA-N 1 2 383.279 3.026 10 10 GGCELO Cc1noc([C@H](C)N2CC[NH+](Cc3cc(Br)cc(C)c3O)CC2)n1 ZINC000180100738 566032936 /nfs/dbraw/zinc/03/29/36/566032936.db2.gz HJKZVSBKSSIODI-LBPRGKRZSA-N 1 2 395.301 3.033 10 10 GGCELO Oc1ccc(Br)cc1C[N@H+]1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000180721304 566083529 /nfs/dbraw/zinc/08/35/29/566083529.db2.gz SFBIQTOAIQQBLB-GOEBONIOSA-N 1 2 382.254 3.072 10 10 GGCELO Oc1ccc(Br)cc1C[N@@H+]1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000180721304 566083535 /nfs/dbraw/zinc/08/35/35/566083535.db2.gz SFBIQTOAIQQBLB-GOEBONIOSA-N 1 2 382.254 3.072 10 10 GGCELO COc1ccc(N2CC[NH+](CC(=O)N(C)[C@H]3CCCc4ccccc43)CC2)cc1 ZINC000055531145 1406992105 /nfs/dbraw/zinc/99/21/05/1406992105.db2.gz FFSLQLOSMNQWBB-QHCPKHFHSA-N 1 2 393.531 3.353 10 10 GGCELO CN(C)C[C@H]1C[N@H+](Cc2c(O)ccc3cc(Br)ccc32)CCO1 ZINC000152969802 1422311902 /nfs/dbraw/zinc/31/19/02/1422311902.db2.gz RHNSUYNHIFDAFY-HNNXBMFYSA-N 1 2 379.298 3.070 10 10 GGCELO CN(C)C[C@H]1C[N@@H+](Cc2c(O)ccc3cc(Br)ccc32)CCO1 ZINC000152969802 1422311910 /nfs/dbraw/zinc/31/19/10/1422311910.db2.gz RHNSUYNHIFDAFY-HNNXBMFYSA-N 1 2 379.298 3.070 10 10 GGCELO COc1ccc(N2CC[NH+](CC(=O)N(C)[C@@H](C)c3ccc(F)cc3)CC2)cc1 ZINC000248093977 1433769286 /nfs/dbraw/zinc/76/92/86/1433769286.db2.gz GBNJQECFNIHGTE-KRWDZBQOSA-N 1 2 385.483 3.176 10 10 GGCELO CO[C@@H]1CN(Cc2ccccc2)C(=O)C[N@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000014749885 207030329 /nfs/dbraw/zinc/03/03/29/207030329.db2.gz ULDPRWNAPOSING-KXOMFBTKSA-N 1 2 393.531 3.125 10 10 GGCELO CO[C@@H]1CN(Cc2ccccc2)C(=O)C[N@@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000014749885 207030333 /nfs/dbraw/zinc/03/03/33/207030333.db2.gz ULDPRWNAPOSING-KXOMFBTKSA-N 1 2 393.531 3.125 10 10 GGCELO O=S(=O)(c1cccs1)N1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000025719057 207305883 /nfs/dbraw/zinc/30/58/83/207305883.db2.gz GZHGVLPAASHJNN-UHFFFAOYSA-N 1 2 388.514 3.113 10 10 GGCELO COc1ccc(N2CC[NH+]([C@@H](CNC(=O)C(C)(C)C)c3cccnc3)CC2)cc1 ZINC000058133924 136154574 /nfs/dbraw/zinc/15/45/74/136154574.db2.gz MKOBLDIBGQQWLO-NRFANRHFSA-N 1 2 396.535 3.116 10 10 GGCELO CCN(CC)c1cc(CCC(=O)NCc2ccc(N3CCOCC3)cc2)cc[nH+]1 ZINC000065270046 136162261 /nfs/dbraw/zinc/16/22/61/136162261.db2.gz ZIDMCFPRLSHHCL-UHFFFAOYSA-N 1 2 396.535 3.013 10 10 GGCELO C[C@@H]([NH2+]C1CCN(c2ncccn2)CC1)c1cc(Br)cc(F)c1O ZINC000185023600 565172461 /nfs/dbraw/zinc/17/24/61/565172461.db2.gz MXMRDMRCAOXDTH-LLVKDONJSA-N 1 2 395.276 3.403 10 10 GGCELO C[C@H]([NH2+]Cc1cccnc1-n1cncn1)c1cc(Br)cc(F)c1O ZINC000185025564 565173236 /nfs/dbraw/zinc/17/32/36/565173236.db2.gz HQXRGJITPLPXKN-JTQLQIEISA-N 1 2 392.232 3.120 10 10 GGCELO Oc1c(Cl)cc(Cl)cc1C[NH2+]Cc1cnc(N2CCOCC2)c(F)c1 ZINC000185072757 565176756 /nfs/dbraw/zinc/17/67/56/565176756.db2.gz AJTVHDFZBHPKHZ-UHFFFAOYSA-N 1 2 386.254 3.360 10 10 GGCELO C[C@@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)c1cc(Br)cc(F)c1O ZINC000186051114 565237341 /nfs/dbraw/zinc/23/73/41/565237341.db2.gz LSJFAGHEYBWCNE-DGCLKSJQSA-N 1 2 395.276 3.403 10 10 GGCELO C[C@@H]([NH2+][C@@H](CO)c1cccc(Br)c1)c1cc([N+](=O)[O-])ccc1O ZINC000273457891 565321035 /nfs/dbraw/zinc/32/10/35/565321035.db2.gz HIVMTBWCDNFIOV-BMIGLBTASA-N 1 2 381.226 3.447 10 10 GGCELO C[C@H]([NH2+][C@H](CO)c1cccc(Br)c1)c1cc([N+](=O)[O-])ccc1O ZINC000273457898 565321760 /nfs/dbraw/zinc/32/17/60/565321760.db2.gz HIVMTBWCDNFIOV-ZUZCIYMTSA-N 1 2 381.226 3.447 10 10 GGCELO C[C@H]1COCC[C@H]1[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000277506399 565502531 /nfs/dbraw/zinc/50/25/31/565502531.db2.gz OIITXQFUEYPAED-QPUJVOFHSA-N 1 2 379.092 3.432 10 10 GGCELO C[C@@](CO)([NH2+]Cc1cc([N+](=O)[O-])ccc1O)c1ccc(Br)cc1 ZINC000285401606 565905672 /nfs/dbraw/zinc/90/56/72/565905672.db2.gz IJKLIRWUQNTCCH-INIZCTEOSA-N 1 2 381.226 3.060 10 10 GGCELO Oc1ccc(Br)cc1C[N@H+]1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000180721283 566084673 /nfs/dbraw/zinc/08/46/73/566084673.db2.gz SFBIQTOAIQQBLB-ZBFHGGJFSA-N 1 2 382.254 3.072 10 10 GGCELO Oc1ccc(Br)cc1C[N@@H+]1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000180721283 566084678 /nfs/dbraw/zinc/08/46/78/566084678.db2.gz SFBIQTOAIQQBLB-ZBFHGGJFSA-N 1 2 382.254 3.072 10 10 GGCELO CCOc1ccc(O)c(C[NH+]2CCN(C(=O)c3c(F)cccc3F)CC2)c1 ZINC000092590054 1410178198 /nfs/dbraw/zinc/17/81/98/1410178198.db2.gz AZRPNSUWVITIFN-UHFFFAOYSA-N 1 2 376.403 3.027 10 10 GGCELO O=C1/C(=C\c2cccc3cccnc23)SC(=S)N1CCC[NH+]1CCOCC1 ZINC000102722119 1410711404 /nfs/dbraw/zinc/71/14/04/1410711404.db2.gz QPPPDAOSARYALU-SAPNQHFASA-N 1 2 399.541 3.158 10 10 GGCELO COc1ccc(N2CC[NH+](CCNC(=O)c3sccc3SC)CC2)cc1 ZINC000264344028 1434099680 /nfs/dbraw/zinc/09/96/80/1434099680.db2.gz BNEDENSSZOSUEH-UHFFFAOYSA-N 1 2 391.562 3.031 10 10 GGCELO Cc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+]2CCOCC2)cc1C ZINC000020603911 210351022 /nfs/dbraw/zinc/35/10/22/210351022.db2.gz KSGASSFAMZDLRM-JOCHJYFZSA-N 1 2 381.520 3.173 10 10 GGCELO Cc1cc(C)cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+]2CCOCC2)c1 ZINC000020603856 210350393 /nfs/dbraw/zinc/35/03/93/210350393.db2.gz GXGFFMACMFOLGL-QFIPXVFZSA-N 1 2 381.520 3.173 10 10 GGCELO CN(C)c1ccc([C@H](CNC(=O)c2cccc(Cl)c2)[NH+]2CCOCC2)cc1 ZINC000020603881 210350355 /nfs/dbraw/zinc/35/03/55/210350355.db2.gz ZEQJYBJQPBGEID-FQEVSTJZSA-N 1 2 387.911 3.209 10 10 GGCELO Cc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+]2CCOCC2)cc1C ZINC000020603914 210350169 /nfs/dbraw/zinc/35/01/69/210350169.db2.gz KSGASSFAMZDLRM-QFIPXVFZSA-N 1 2 381.520 3.173 10 10 GGCELO CN(C)c1ccc([C@H](CNC(=O)c2ccccc2Cl)[NH+]2CCOCC2)cc1 ZINC000020603775 210349869 /nfs/dbraw/zinc/34/98/69/210349869.db2.gz MDZDFOKZEMVOIW-FQEVSTJZSA-N 1 2 387.911 3.209 10 10 GGCELO Cc1cc(NCc2ccc(N3CCOCC3)c(F)c2)nc(-c2ccncc2)[nH+]1 ZINC000058243946 136155173 /nfs/dbraw/zinc/15/51/73/136155173.db2.gz MKLXESPUUADUFA-UHFFFAOYSA-N 1 2 379.439 3.435 10 10 GGCELO CCN(CC)c1cc(CCC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc[nH+]1 ZINC000065269936 136162246 /nfs/dbraw/zinc/16/22/46/136162246.db2.gz LLVGCMXLVBPJHL-UHFFFAOYSA-N 1 2 396.535 3.218 10 10 GGCELO COc1cc(Br)cc(C[N@@H+]2CCO[C@@H](c3cccc(O)c3)C2)c1O ZINC000093457603 564886862 /nfs/dbraw/zinc/88/68/62/564886862.db2.gz FTRKKFCNETUCSS-QGZVFWFLSA-N 1 2 394.265 3.442 10 10 GGCELO COc1cc(Br)cc(C[N@H+]2CCO[C@@H](c3cccc(O)c3)C2)c1O ZINC000093457603 564886866 /nfs/dbraw/zinc/88/68/66/564886866.db2.gz FTRKKFCNETUCSS-QGZVFWFLSA-N 1 2 394.265 3.442 10 10 GGCELO COCc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000185775361 565219929 /nfs/dbraw/zinc/21/99/29/565219929.db2.gz YAXINCWIAXGRQH-NOZJJQNGSA-N 1 2 399.264 3.217 10 10 GGCELO C[C@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)c1cc(Br)cc(F)c1O ZINC000186051097 565237435 /nfs/dbraw/zinc/23/74/35/565237435.db2.gz LSJFAGHEYBWCNE-WCQYABFASA-N 1 2 395.276 3.403 10 10 GGCELO C[C@@H]1COCC[C@H]1[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000277506396 565501954 /nfs/dbraw/zinc/50/19/54/565501954.db2.gz OIITXQFUEYPAED-PRHODGIISA-N 1 2 379.092 3.432 10 10 GGCELO Cc1noc([C@@H](C)N2CC[NH+](Cc3cc(Br)cc(C)c3O)CC2)n1 ZINC000180100753 566032489 /nfs/dbraw/zinc/03/24/89/566032489.db2.gz HJKZVSBKSSIODI-GFCCVEGCSA-N 1 2 395.301 3.033 10 10 GGCELO Oc1ccc(Br)cc1C[N@H+]1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000180721270 566083944 /nfs/dbraw/zinc/08/39/44/566083944.db2.gz SFBIQTOAIQQBLB-GDBMZVCRSA-N 1 2 382.254 3.072 10 10 GGCELO Oc1ccc(Br)cc1C[N@@H+]1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000180721270 566083949 /nfs/dbraw/zinc/08/39/49/566083949.db2.gz SFBIQTOAIQQBLB-GDBMZVCRSA-N 1 2 382.254 3.072 10 10 GGCELO CO[C@@H]1C[C@@H](c2nc(C)no2)[N@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000248806108 566090088 /nfs/dbraw/zinc/09/00/88/566090088.db2.gz BFMAYFRIKZHSPT-KGLIPLIRSA-N 1 2 382.258 3.117 10 10 GGCELO O=C(Nc1nncs1)C1CC[NH+](Cc2cc(Cl)cc(Cl)c2O)CC1 ZINC000367703061 566212272 /nfs/dbraw/zinc/21/22/72/566212272.db2.gz MUIWIIFXBVMGBW-UHFFFAOYSA-N 1 2 387.292 3.401 10 10 GGCELO CCc1cc2c(C)cc(=O)oc2c(C[NH+]2CCN(Cc3ccncc3)CC2)c1O ZINC000022921837 570335858 /nfs/dbraw/zinc/33/58/58/570335858.db2.gz VJYLCONKZIUKLL-UHFFFAOYSA-N 1 2 393.487 3.082 10 10 GGCELO CCOc1cccc(C[N@H+](C)Cc2nnc(SCc3ccncc3)n2C)c1O ZINC000055568652 570697311 /nfs/dbraw/zinc/69/73/11/570697311.db2.gz KVIVNEALOMIIFL-UHFFFAOYSA-N 1 2 399.520 3.239 10 10 GGCELO CCOc1cccc(C[N@@H+](C)Cc2nnc(SCc3ccncc3)n2C)c1O ZINC000055568652 570697316 /nfs/dbraw/zinc/69/73/16/570697316.db2.gz KVIVNEALOMIIFL-UHFFFAOYSA-N 1 2 399.520 3.239 10 10 GGCELO CN(C)c1ccc(CNC(=O)[C@@H]2CCCN(c3[nH]c4ccccc4[nH+]3)C2)cc1 ZINC000033071902 570803827 /nfs/dbraw/zinc/80/38/27/570803827.db2.gz FXLMXOXYLNSVQK-QGZVFWFLSA-N 1 2 377.492 3.162 10 10 GGCELO Cc1[nH]c2ccc(NC=C3C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)cc2[nH+]1 ZINC000101536409 570826478 /nfs/dbraw/zinc/82/64/78/570826478.db2.gz DTXDJKLZPQPXLV-NTEUORMPSA-N 1 2 395.806 3.104 10 10 GGCELO COCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000185775380 565220473 /nfs/dbraw/zinc/22/04/73/565220473.db2.gz YAXINCWIAXGRQH-ZANVPECISA-N 1 2 399.264 3.217 10 10 GGCELO COCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000185775399 565220675 /nfs/dbraw/zinc/22/06/75/565220675.db2.gz YAXINCWIAXGRQH-RNCFNFMXSA-N 1 2 399.264 3.217 10 10 GGCELO O=C1/C(=C/c2ccc(Cl)cc2F)SC(=S)N1CC[NH+]1CCOCC1 ZINC000187762361 565353672 /nfs/dbraw/zinc/35/36/72/565353672.db2.gz XXSGKGCDKWYWAV-ZROIWOOFSA-N 1 2 386.901 3.013 10 10 GGCELO Oc1cc2c(cc1C[N@@H+]1CCc3ccc(F)c(Br)c3C1)[C@H](O)CO2 ZINC000527614864 567349590 /nfs/dbraw/zinc/34/95/90/567349590.db2.gz DTGQOHOOMRGTGS-MRXNPFEDSA-N 1 2 394.240 3.278 10 10 GGCELO Oc1cc2c(cc1C[N@H+]1CCc3ccc(F)c(Br)c3C1)[C@H](O)CO2 ZINC000527614864 567349598 /nfs/dbraw/zinc/34/95/98/567349598.db2.gz DTGQOHOOMRGTGS-MRXNPFEDSA-N 1 2 394.240 3.278 10 10 GGCELO CN(C)C[C@@H]1C[N@H+](Cc2c(O)ccc3cc(Br)ccc32)CCO1 ZINC000152969688 1422311871 /nfs/dbraw/zinc/31/18/71/1422311871.db2.gz RHNSUYNHIFDAFY-OAHLLOKOSA-N 1 2 379.298 3.070 10 10 GGCELO CN(C)C[C@@H]1C[N@@H+](Cc2c(O)ccc3cc(Br)ccc32)CCO1 ZINC000152969688 1422311876 /nfs/dbraw/zinc/31/18/76/1422311876.db2.gz RHNSUYNHIFDAFY-OAHLLOKOSA-N 1 2 379.298 3.070 10 10 GGCELO COc1ccc(N2CC[NH+](CC(=O)N(C)[C@H](C)c3ccc(F)cc3)CC2)cc1 ZINC000248093980 1433769310 /nfs/dbraw/zinc/76/93/10/1433769310.db2.gz GBNJQECFNIHGTE-QGZVFWFLSA-N 1 2 385.483 3.176 10 10 GGCELO