smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(C)c(/N=C\c2c([O-])ccc3ccccc32)c1 ZINC000000046035 567816955 /nfs/dbraw/zinc/81/69/55/567816955.db2.gz WFTMMDRADYRWGW-NDENLUEZSA-N -1 3 275.351 4.913 40 30 CJEBHM Cc1ccc(/N=C\c2c([O-])ccc3ccccc32)c(C)c1 ZINC000000061279 567817428 /nfs/dbraw/zinc/81/74/28/567817428.db2.gz OXXMQKOVIVAAJR-NDENLUEZSA-N -1 3 275.351 4.913 40 30 CJEBHM Cc1cccc(/N=C\c2c([O-])ccc3ccccc32)c1C ZINC000000061297 567817445 /nfs/dbraw/zinc/81/74/45/567817445.db2.gz WLICCJVXTALUGI-NDENLUEZSA-N -1 3 275.351 4.913 40 30 CJEBHM Cc1cccc(/N=C\c2c([O-])ccc3ccccc32)c1 ZINC000000061299 567817420 /nfs/dbraw/zinc/81/74/20/567817420.db2.gz KPOSMMCBBUZMRX-UNOMPAQXSA-N -1 3 261.324 4.604 40 30 CJEBHM Cc1ccccc1/N=C\c1c([O-])ccc2ccccc21 ZINC000000061301 567817331 /nfs/dbraw/zinc/81/73/31/567817331.db2.gz DHMQBAZAQAXKEX-UNOMPAQXSA-N -1 3 261.324 4.604 40 30 CJEBHM Cc1sc(/N=C/c2ccccc2[O-])nc1-c1ccccc1 ZINC000000286108 567824081 /nfs/dbraw/zinc/82/40/81/567824081.db2.gz PKTYYTIPYNTDIT-WOJGMQOQSA-N -1 3 294.379 4.575 40 30 CJEBHM Cc1ccc(/N=C/c2ccc3ccccc3c2[O-])cc1C ZINC000000447785 567830612 /nfs/dbraw/zinc/83/06/12/567830612.db2.gz DBXIOKDGOLQDAC-UDWIEESQSA-N -1 3 275.351 4.913 40 30 CJEBHM C[C@H](/N=C/c1ccc2ccccc2c1[O-])c1ccccc1 ZINC000001100328 567937231 /nfs/dbraw/zinc/93/72/31/567937231.db2.gz QWMLVIYPSOCADA-ZXOFLVKFSA-N -1 3 275.351 4.726 40 30 CJEBHM C[C@@H](/N=C/c1ccc2ccccc2c1[O-])c1ccccc1 ZINC000001100330 567937204 /nfs/dbraw/zinc/93/72/04/567937204.db2.gz QWMLVIYPSOCADA-GNUZOCDUSA-N -1 3 275.351 4.726 40 30 CJEBHM [O-]c1ccc(N=C2c3ccccc3-c3ccccc32)cc1 ZINC000001724451 566998871 /nfs/dbraw/zinc/99/88/71/566998871.db2.gz CKUBBTKMOMUNJL-UHFFFAOYSA-N -1 3 271.319 4.542 40 30 CJEBHM [O-]c1ccccc1/C=N/c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000003130005 567851554 /nfs/dbraw/zinc/85/15/54/567851554.db2.gz MZHBZAKNUILUIY-UDWIEESQSA-N -1 3 290.366 4.503 40 30 CJEBHM [O-]c1ccc(Cl)cc1/C=N/c1ccc2ccccc2c1 ZINC000003155176 567163736 /nfs/dbraw/zinc/16/37/36/567163736.db2.gz ZBCFGZWMLNYFNT-YBFXNURJSA-N -1 3 281.742 4.949 40 30 CJEBHM [O-]c1ccc2ccccc2c1/N=C/c1cc(Cl)ccc1O ZINC000003196380 567852124 /nfs/dbraw/zinc/85/21/24/567852124.db2.gz WNKDDINHXJTPNY-VXLYETTFSA-N -1 3 297.741 4.655 40 30 CJEBHM [O-]c1ccccc1C=N[C@H]1[C@@H]2CCC[C@H]1C1=C(CCCC1)C2 ZINC000004024879 567932470 /nfs/dbraw/zinc/93/24/70/567932470.db2.gz USZLVICCEDTGEY-RYXOADMISA-N -1 3 295.426 4.870 40 30 CJEBHM CC(C)(C)c1ccc(C=N[N-]c2nc3ccccc3o2)cc1 ZINC000004966051 170046537 /nfs/dbraw/zinc/04/65/37/170046537.db2.gz GFHBQFDXOKYVIN-XDHOZWIPSA-N -1 3 293.370 4.571 40 30 CJEBHM Cc1ccc([O-])cc1/N=C/c1ccc(Cl)cc1Cl ZINC000005006761 170054178 /nfs/dbraw/zinc/05/41/78/170054178.db2.gz MBXKWQYGMDLUSJ-CAOOACKPSA-N -1 3 280.154 4.758 40 30 CJEBHM [O-]c1ccc2ccccc2c1/C=N/c1ccc(F)cc1F ZINC000005287413 567077551 /nfs/dbraw/zinc/07/75/51/567077551.db2.gz ZFODLEAGTAFKTI-KEBDBYFISA-N -1 3 283.277 4.574 40 30 CJEBHM CCCCCc1ccc(/N=C/c2ccccc2[O-])cc1 ZINC000005419245 170097351 /nfs/dbraw/zinc/09/73/51/170097351.db2.gz YJLVMNQXPFXFPS-XMHGGMMESA-N -1 3 267.372 4.876 40 30 CJEBHM CCCC[C@@H](CC)[C@H](O)/C(=N\[O-])[C@@H](CC)CCCC ZINC000005514799 170106922 /nfs/dbraw/zinc/10/69/22/170106922.db2.gz SLCANKHLTWZHRV-MCPQPDSZSA-N -1 3 271.445 4.610 40 30 CJEBHM CC(C)(C)c1cc(C2CCCCC2)cc(/C=N/[O-])c1O ZINC000005632509 567859687 /nfs/dbraw/zinc/85/96/87/567859687.db2.gz FVAKPXJRJLTZQA-WOJGMQOQSA-N -1 3 275.392 4.546 40 30 CJEBHM CCCC[C@H](CC)/C(=N/[O-])[C@@H](O)[C@@H](CC)CCCC ZINC000005647201 170123487 /nfs/dbraw/zinc/12/34/87/170123487.db2.gz SLCANKHLTWZHRV-CIDQPMOFSA-N -1 3 271.445 4.610 40 30 CJEBHM CCOc1cccc(/N=C/c2ccc3ccccc3c2[O-])c1 ZINC000006223525 570381342 /nfs/dbraw/zinc/38/13/42/570381342.db2.gz GKJIIRBAANIRGA-DEDYPNTBSA-N -1 3 291.350 4.695 40 30 CJEBHM [O-]/N=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1 ZINC000006276856 170187995 /nfs/dbraw/zinc/18/79/95/170187995.db2.gz URHQYQOTIFBSAB-HMMYKYKNSA-N -1 3 288.350 4.965 40 30 CJEBHM CCCCC(=N/[O-])/C(=N\O)c1ccc(C2CCCC2)cc1 ZINC000006396470 519904019 /nfs/dbraw/zinc/90/40/19/519904019.db2.gz LSRPTKDACRJQHO-YGGBKCGDSA-N -1 3 288.391 4.543 40 30 CJEBHM [O-]/N=C(\c1ccccc1)c1cc(C2CCCCC2)ccc1O ZINC000006884765 170253150 /nfs/dbraw/zinc/25/31/50/170253150.db2.gz TYNXZCMIRQJMGE-FMQUCBEESA-N -1 3 295.382 4.667 40 30 CJEBHM Cc1cc(/N=C/c2ccc3ccccc3c2[O-])ccc1F ZINC000008549159 570219221 /nfs/dbraw/zinc/21/92/21/570219221.db2.gz VOADUBBXMORWCU-RGVLZGJSSA-N -1 3 279.314 4.744 40 30 CJEBHM CCCCCCOc1c(Cl)cc(/C=N\[O-])cc1OCC ZINC000011959541 528146528 /nfs/dbraw/zinc/14/65/28/528146528.db2.gz XIMKUBJJVDGYQK-BOPFTXTBSA-N -1 3 299.798 4.506 40 30 CJEBHM [O-]c1ccc2ccccc2c1/C=N\c1ccc(Cl)cc1 ZINC000013406301 567865897 /nfs/dbraw/zinc/86/58/97/567865897.db2.gz DDNKLPBPRNKRFI-ODLFYWEKSA-N -1 3 281.742 4.949 40 30 CJEBHM Cc1ccc(Cl)cc1/N=C\c1cc(Cl)ccc1[O-] ZINC000016347250 567872541 /nfs/dbraw/zinc/87/25/41/567872541.db2.gz IJOAWNJWIIGKAO-IUXPMGMMSA-N -1 3 280.154 4.758 40 30 CJEBHM Cc1ccc(/N=C\c2c([O-])ccc3ccccc32)cc1C ZINC000016663082 567873311 /nfs/dbraw/zinc/87/33/11/567873311.db2.gz OWBGHJAGTCDGDC-NDENLUEZSA-N -1 3 275.351 4.913 40 30 CJEBHM Cc1ccc(S/N=C\c2c([O-])ccc3ccccc32)cc1 ZINC000017021635 567874445 /nfs/dbraw/zinc/87/44/45/567874445.db2.gz SFUAIBHPGDRCFL-UNOMPAQXSA-N -1 3 293.391 4.980 40 30 CJEBHM [O-]c1ccc2ccccc2c1/C=N/Sc1ccccc1 ZINC000017062366 567874952 /nfs/dbraw/zinc/87/49/52/567874952.db2.gz RQLCOXRPGWDJMF-LDADJPATSA-N -1 3 279.364 4.672 40 30 CJEBHM COc1ccc(/C=N/c2cc(C(C)C)c([O-])cc2C)cc1 ZINC000017287804 567875124 /nfs/dbraw/zinc/87/51/24/567875124.db2.gz JUDOFUPCEWFQOU-YBFXNURJSA-N -1 3 283.371 4.583 40 30 CJEBHM C/C(=N\[O-])C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000017300305 567875566 /nfs/dbraw/zinc/87/55/66/567875566.db2.gz UPPMLCHPBFHENL-VCHYOVAHSA-N -1 3 294.181 4.975 40 30 CJEBHM Cc1ccc(/N=C\c2c([O-])ccc3ccccc32)cc1 ZINC000017311149 567875645 /nfs/dbraw/zinc/87/56/45/567875645.db2.gz FLLXNRWVERXYJX-UNOMPAQXSA-N -1 3 261.324 4.604 40 30 CJEBHM CC(C)(CCCOc1ccccc1)/C(=N\[O-])c1ccccc1 ZINC000017379589 519212183 /nfs/dbraw/zinc/21/21/83/519212183.db2.gz QFZRIGNPMQBSAU-ZZEZOPTASA-N -1 3 297.398 4.750 40 30 CJEBHM [O-]c1ccc(/C=N/c2ccc3c(c2)Cc2ccccc2-3)cc1 ZINC000018066868 567876621 /nfs/dbraw/zinc/87/66/21/567876621.db2.gz UVBVKONKAFPEAL-FYJGNVAPSA-N -1 3 285.346 4.714 40 30 CJEBHM Cc1ccc(/C=N/c2cc(C(C)C)c([O-])cc2C)cc1 ZINC000018098838 567876550 /nfs/dbraw/zinc/87/65/50/567876550.db2.gz LETVAFJHBPTCKT-YBFXNURJSA-N -1 3 267.372 4.883 40 30 CJEBHM Cc1ccc(/N=C/c2ccc3ccccc3c2[O-])cc1 ZINC000032101546 567885569 /nfs/dbraw/zinc/88/55/69/567885569.db2.gz WJFRPEBTHLDPNY-XDHOZWIPSA-N -1 3 261.324 4.604 40 30 CJEBHM Cc1cccc(/N=C/c2ccc3ccccc3c2[O-])c1 ZINC000032101550 567885428 /nfs/dbraw/zinc/88/54/28/567885428.db2.gz BQXWUTYKNUAOLX-XDHOZWIPSA-N -1 3 261.324 4.604 40 30 CJEBHM Cc1ccccc1/N=C/c1ccc2ccccc2c1[O-] ZINC000032101554 567885620 /nfs/dbraw/zinc/88/56/20/567885620.db2.gz UNXCCFTUMMPDLQ-XDHOZWIPSA-N -1 3 261.324 4.604 40 30 CJEBHM CCOc1ccc(/N=C\c2ccc3ccccc3c2[O-])cc1 ZINC000032101557 567885582 /nfs/dbraw/zinc/88/55/82/567885582.db2.gz QYHWPYDNIXASQO-MOSHPQCFSA-N -1 3 291.350 4.695 40 30 CJEBHM CCOc1ccccc1/N=C\c1ccc2ccccc2c1[O-] ZINC000032101560 567885394 /nfs/dbraw/zinc/88/53/94/567885394.db2.gz AVLBSFIPGQOYEM-MOSHPQCFSA-N -1 3 291.350 4.695 40 30 CJEBHM [O-]c1c(/C=N/c2ccc(Cl)cc2)ccc2ccccc12 ZINC000032101572 567885672 /nfs/dbraw/zinc/88/56/72/567885672.db2.gz IKPVCWGJQXIOEF-YBFXNURJSA-N -1 3 281.742 4.949 40 30 CJEBHM [O-]c1c(/C=N/c2cccc(Cl)c2)ccc2ccccc12 ZINC000032101576 567885416 /nfs/dbraw/zinc/88/54/16/567885416.db2.gz NHQNHYGIPCHADR-YBFXNURJSA-N -1 3 281.742 4.949 40 30 CJEBHM Cc1cccc(/N=C/c2ccc3ccccc3c2[O-])c1C ZINC000032101641 567885573 /nfs/dbraw/zinc/88/55/73/567885573.db2.gz MQZUWBPJKGVXCD-UDWIEESQSA-N -1 3 275.351 4.913 40 30 CJEBHM Cc1ccc(/N=C/c2ccc3ccccc3c2[O-])c(C)c1 ZINC000032101645 567885629 /nfs/dbraw/zinc/88/56/29/567885629.db2.gz OWLKSZQIYXBYGH-UDWIEESQSA-N -1 3 275.351 4.913 40 30 CJEBHM Cc1ccc(C)c(/N=C/c2ccc3ccccc3c2[O-])c1 ZINC000032101649 567885758 /nfs/dbraw/zinc/88/57/58/567885758.db2.gz IKHWSWIKKUXCQN-UDWIEESQSA-N -1 3 275.351 4.913 40 30 CJEBHM Cc1cccc(C)c1/N=C/c1ccc2ccccc2c1[O-] ZINC000032101652 567885640 /nfs/dbraw/zinc/88/56/40/567885640.db2.gz VOJFAZWCVDHHOS-UDWIEESQSA-N -1 3 275.351 4.913 40 30 CJEBHM CCCC[C@@H](CC)[C@@H](O)/C(=N\[O-])[C@@H](CC)CCCC ZINC000033839119 570316112 /nfs/dbraw/zinc/31/61/12/570316112.db2.gz SLCANKHLTWZHRV-VUOJNIGQSA-N -1 3 271.445 4.610 40 30 CJEBHM CCCC[C@H](CC)/C(=N/[O-])[C@H](O)[C@@H](CC)CCCC ZINC000033839120 521154034 /nfs/dbraw/zinc/15/40/34/521154034.db2.gz SLCANKHLTWZHRV-SGXQQMPMSA-N -1 3 271.445 4.610 40 30 CJEBHM [O-]c1c(/C=N/c2ccc(F)c(F)c2)ccc2ccccc12 ZINC000038163282 567095931 /nfs/dbraw/zinc/09/59/31/567095931.db2.gz FTTVBRPXQPKQOC-KEBDBYFISA-N -1 3 283.277 4.574 40 30 CJEBHM [O-]c1ccc(/N=C/c2cccn2-c2ccc(Cl)cc2)cc1 ZINC000059248452 262387265 /nfs/dbraw/zinc/38/72/65/262387265.db2.gz JFOLPDSURMGXFI-XDHOZWIPSA-N -1 3 296.757 4.587 40 30 CJEBHM C=CCc1cc(/C=N/c2ccc(C)cc2)cc(OCC)c1[O-] ZINC000059678600 262391339 /nfs/dbraw/zinc/39/13/39/262391339.db2.gz GUBJHCUTEAVVNJ-DEDYPNTBSA-N -1 3 295.382 4.578 40 30 CJEBHM Cc1cc([O-])c(C(C)C)cc1/N=C/c1ccc(N(C)C)cc1 ZINC000084460126 570252976 /nfs/dbraw/zinc/25/29/76/570252976.db2.gz JICLFSVEWIEWCK-UDWIEESQSA-N -1 3 296.414 4.641 40 30 CJEBHM [O-]c1ccc2ccccc2c1/C=N\c1cccc(Cl)c1 ZINC000086053381 179223715 /nfs/dbraw/zinc/22/37/15/179223715.db2.gz NAOHNCHHOYHAPA-ODLFYWEKSA-N -1 3 281.742 4.949 40 30 CJEBHM CCOc1ccc(/N=C\c2c([O-])ccc3ccccc32)cc1 ZINC000096006206 185062843 /nfs/dbraw/zinc/06/28/43/185062843.db2.gz WZLSZRQKQUTFBX-MOSHPQCFSA-N -1 3 291.350 4.695 40 30 CJEBHM CCOc1ccccc1/N=C\c1c([O-])ccc2ccccc21 ZINC000096006207 185062710 /nfs/dbraw/zinc/06/27/10/185062710.db2.gz SIDYFSJXSZAOMQ-MOSHPQCFSA-N -1 3 291.350 4.695 40 30 CJEBHM Cc1ccc(/N=C\c2ccc3ccccc3c2[O-])cc1C ZINC000100102145 567912288 /nfs/dbraw/zinc/91/22/88/567912288.db2.gz DBXIOKDGOLQDAC-NDENLUEZSA-N -1 3 275.351 4.913 40 30 CJEBHM Cc1cccc(C)c1/N=C\c1c([O-])ccc2ccccc21 ZINC000100248288 534646395 /nfs/dbraw/zinc/64/63/95/534646395.db2.gz BWGYZHZVVSLTAB-NDENLUEZSA-N -1 3 275.351 4.913 40 30 CJEBHM Cc1ccc(/N=C\c2ccc3ccccc3c2[O-])cc1 ZINC000100248367 230391645 /nfs/dbraw/zinc/39/16/45/230391645.db2.gz WJFRPEBTHLDPNY-UNOMPAQXSA-N -1 3 261.324 4.604 40 30 CJEBHM Cc1cccc(/N=C\c2ccc3ccccc3c2[O-])c1 ZINC000100248372 534580437 /nfs/dbraw/zinc/58/04/37/534580437.db2.gz BQXWUTYKNUAOLX-UNOMPAQXSA-N -1 3 261.324 4.604 40 30 CJEBHM Cc1ccccc1/N=C\c1ccc2ccccc2c1[O-] ZINC000100248373 534795475 /nfs/dbraw/zinc/79/54/75/534795475.db2.gz UNXCCFTUMMPDLQ-UNOMPAQXSA-N -1 3 261.324 4.604 40 30 CJEBHM CCOc1ccc(/N=C/c2ccc3ccccc3c2[O-])cc1 ZINC000100248378 528374330 /nfs/dbraw/zinc/37/43/30/528374330.db2.gz QYHWPYDNIXASQO-DEDYPNTBSA-N -1 3 291.350 4.695 40 30 CJEBHM CCOc1ccccc1/N=C/c1ccc2ccccc2c1[O-] ZINC000100248385 230391661 /nfs/dbraw/zinc/39/16/61/230391661.db2.gz AVLBSFIPGQOYEM-DEDYPNTBSA-N -1 3 291.350 4.695 40 30 CJEBHM [O-]c1c(/C=N\c2ccc(Cl)cc2)ccc2ccccc12 ZINC000100248400 230391657 /nfs/dbraw/zinc/39/16/57/230391657.db2.gz IKPVCWGJQXIOEF-ODLFYWEKSA-N -1 3 281.742 4.949 40 30 CJEBHM [O-]c1c(/C=N\c2cccc(Cl)c2)ccc2ccccc12 ZINC000100248407 230391579 /nfs/dbraw/zinc/39/15/79/230391579.db2.gz NHQNHYGIPCHADR-ODLFYWEKSA-N -1 3 281.742 4.949 40 30 CJEBHM Cc1cccc(/N=C\c2ccc3ccccc3c2[O-])c1C ZINC000100248509 534579730 /nfs/dbraw/zinc/57/97/30/534579730.db2.gz MQZUWBPJKGVXCD-NDENLUEZSA-N -1 3 275.351 4.913 40 30 CJEBHM Cc1ccc(/N=C\c2ccc3ccccc3c2[O-])c(C)c1 ZINC000100248514 230391635 /nfs/dbraw/zinc/39/16/35/230391635.db2.gz OWLKSZQIYXBYGH-NDENLUEZSA-N -1 3 275.351 4.913 40 30 CJEBHM Cc1ccc(C)c(/N=C\c2ccc3ccccc3c2[O-])c1 ZINC000100248516 230391583 /nfs/dbraw/zinc/39/15/83/230391583.db2.gz IKHWSWIKKUXCQN-NDENLUEZSA-N -1 3 275.351 4.913 40 30 CJEBHM Cc1cccc(C)c1/N=C\c1ccc2ccccc2c1[O-] ZINC000100248520 534646373 /nfs/dbraw/zinc/64/63/73/534646373.db2.gz VOJFAZWCVDHHOS-NDENLUEZSA-N -1 3 275.351 4.913 40 30 CJEBHM CCOc1ccccc1/C=N/c1cc(C(C)C)c([O-])cc1C ZINC000100346219 567912779 /nfs/dbraw/zinc/91/27/79/567912779.db2.gz GGAIEVPJAMFJEW-UDWIEESQSA-N -1 3 297.398 4.973 40 30 CJEBHM COc1ccccc1/C=N/c1cc(C(C)C)c([O-])cc1C ZINC000100413904 567927256 /nfs/dbraw/zinc/92/72/56/567927256.db2.gz DPJQTLDKNGEWFN-YBFXNURJSA-N -1 3 283.371 4.583 40 30 CJEBHM [O-]c1ccc2oc3c(c2c1/C=N\c1ccccc1)CCCC3 ZINC000100463325 570258880 /nfs/dbraw/zinc/25/88/80/570258880.db2.gz WJNAZIZJBFBBDD-NDENLUEZSA-N -1 3 291.350 4.768 40 30 CJEBHM Cc1ccc(Cl)cc1/N=C/c1cc(Cl)ccc1[O-] ZINC000100933797 567913996 /nfs/dbraw/zinc/91/39/96/567913996.db2.gz IJOAWNJWIIGKAO-CAOOACKPSA-N -1 3 280.154 4.758 40 30 CJEBHM CCCCCCCCC(=O)c1ccc2cccnc2c1[O-] ZINC000100935823 567914329 /nfs/dbraw/zinc/91/43/29/567914329.db2.gz AJBQJKMEDKSYHS-UHFFFAOYSA-N -1 3 285.387 4.874 40 30 CJEBHM CCCCCCCCCC/C(=N\[O-])c1ccc(O)cc1O ZINC000100954888 567914256 /nfs/dbraw/zinc/91/42/56/567914256.db2.gz KVMCGBLLJLOMRW-FBMGVBCBSA-N -1 3 293.407 4.807 40 30 CJEBHM CCCCCCCC(=O)c1cc(Cl)ccc1[O-] ZINC000101657507 570345123 /nfs/dbraw/zinc/34/51/23/570345123.db2.gz OCEZARKMSZFANJ-UHFFFAOYSA-N -1 3 254.757 4.589 40 30 CJEBHM CCCCCCCCOCc1ccc([O-])c2ncccc12 ZINC000103601752 567915665 /nfs/dbraw/zinc/91/56/65/567915665.db2.gz LIAHOBMFROLCJL-UHFFFAOYSA-N -1 3 287.403 4.818 40 30 CJEBHM CC(C)(CCCOc1ccccc1)/C(=N/[O-])c1ccccc1 ZINC000104074416 567915945 /nfs/dbraw/zinc/91/59/45/567915945.db2.gz QFZRIGNPMQBSAU-CZIZESTLSA-N -1 3 297.398 4.750 40 30 CJEBHM Cc1ccc(S/N=C/c2c([O-])ccc3ccccc32)cc1 ZINC000104156571 230393463 /nfs/dbraw/zinc/39/34/63/230393463.db2.gz SFUAIBHPGDRCFL-XDHOZWIPSA-N -1 3 293.391 4.980 40 30 CJEBHM [O-]c1ccc2ccccc2c1/C=N\Sc1ccccc1 ZINC000104191038 567916420 /nfs/dbraw/zinc/91/64/20/567916420.db2.gz RQLCOXRPGWDJMF-PDGQHHTCSA-N -1 3 279.364 4.672 40 30 CJEBHM C/C(=N/[O-])C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000104354254 567916688 /nfs/dbraw/zinc/91/66/88/567916688.db2.gz UPPMLCHPBFHENL-ZDLGFXPLSA-N -1 3 294.181 4.975 40 30 CJEBHM CCCCCCCCCCCCCCCC(=O)N[O-] ZINC000104380138 567916821 /nfs/dbraw/zinc/91/68/21/567916821.db2.gz IVSZXIXHUOIHIR-UHFFFAOYSA-N -1 3 271.445 4.973 40 30 CJEBHM CCOc1cccc(/N=C\c2c([O-])ccc3ccccc32)c1 ZINC000105366488 567095178 /nfs/dbraw/zinc/09/51/78/567095178.db2.gz VFCJDGNWKMQFFW-MOSHPQCFSA-N -1 3 291.350 4.695 40 30 CJEBHM [O-]c1ccc2ccccc2c1/C=N\c1ccc(F)c(F)c1 ZINC000105861148 186079499 /nfs/dbraw/zinc/07/94/99/186079499.db2.gz XXJZIUWHEAOTHZ-JMIUGGIZSA-N -1 3 283.277 4.574 40 30 CJEBHM Cc1cc(/N=C\c2c([O-])ccc3ccccc23)ccc1F ZINC000106674927 567095649 /nfs/dbraw/zinc/09/56/49/567095649.db2.gz NKVYKSRPRDWZJR-JAIQZWGSSA-N -1 3 279.314 4.744 40 30 CJEBHM C[C@H](/N=C\c1ccc2ccccc2c1[O-])c1ccccc1 ZINC000107136914 567094616 /nfs/dbraw/zinc/09/46/16/567094616.db2.gz QWMLVIYPSOCADA-DABDWFRDSA-N -1 3 275.351 4.726 40 30 CJEBHM C[C@@H](/N=C\c1ccc2ccccc2c1[O-])c1ccccc1 ZINC000107136917 567096204 /nfs/dbraw/zinc/09/62/04/567096204.db2.gz QWMLVIYPSOCADA-KELUXRKGSA-N -1 3 275.351 4.726 40 30 CJEBHM [O-]c1ccc(/C=N/c2c3ccccc3nc3ccccc32)cc1 ZINC000107683865 186184737 /nfs/dbraw/zinc/18/47/37/186184737.db2.gz KTSXDLYCHGJQLY-FYJGNVAPSA-N -1 3 298.345 4.844 40 30 CJEBHM CCCCCCOc1c(Cl)cc(/C=N\[O-])cc1Cl ZINC000109849721 567939212 /nfs/dbraw/zinc/93/92/12/567939212.db2.gz NOIRTEPMHCXMPX-SXGWCWSVSA-N -1 3 290.190 4.761 40 30 CJEBHM CCCC[C@@H](CC)/C(=N/[O-])[C@@H](O)[C@@H](CC)CCCC ZINC000231918551 570317722 /nfs/dbraw/zinc/31/77/22/570317722.db2.gz SLCANKHLTWZHRV-SWJWOYBASA-N -1 3 271.445 4.610 40 30 CJEBHM CCCC[C@@H](CC)/C(=N/[O-])[C@H](O)[C@@H](CC)CCCC ZINC000231918556 570317652 /nfs/dbraw/zinc/31/76/52/570317652.db2.gz SLCANKHLTWZHRV-ZOKAEBBRSA-N -1 3 271.445 4.610 40 30 CJEBHM CCOc1ccccc1N=Cc1c([O-])ccc2ccccc21 ZINC000254296397 334462357 /nfs/dbraw/zinc/46/23/57/334462357.db2.gz SIDYFSJXSZAOMQ-UHFFFAOYSA-N -1 3 291.350 4.695 40 30 CJEBHM CCOc1ccc(N=Cc2c([O-])ccc3ccccc32)cc1 ZINC000254351950 334469105 /nfs/dbraw/zinc/46/91/05/334469105.db2.gz WZLSZRQKQUTFBX-UHFFFAOYSA-N -1 3 291.350 4.695 40 30 CJEBHM Cc1cccc(N=Cc2c([O-])ccc3ccccc32)c1C ZINC000254441956 334474130 /nfs/dbraw/zinc/47/41/30/334474130.db2.gz WLICCJVXTALUGI-UHFFFAOYSA-N -1 3 275.351 4.913 40 30 CJEBHM Cc1ccc(Cl)cc1N=Cc1cc(Cl)ccc1[O-] ZINC000254595197 334482282 /nfs/dbraw/zinc/48/22/82/334482282.db2.gz IJOAWNJWIIGKAO-UHFFFAOYSA-N -1 3 280.154 4.758 40 30 CJEBHM Cc1ccc(N=Cc2ccc3ccccc3c2[O-])cc1C ZINC000254773559 567072253 /nfs/dbraw/zinc/07/22/53/567072253.db2.gz DBXIOKDGOLQDAC-UHFFFAOYSA-N -1 3 275.351 4.913 40 30 CJEBHM Cc1cccc(C)c1N=Cc1c([O-])ccc2ccccc21 ZINC000254893678 327250526 /nfs/dbraw/zinc/25/05/26/327250526.db2.gz BWGYZHZVVSLTAB-UHFFFAOYSA-N -1 3 275.351 4.913 40 30 CJEBHM CCOc1ccccc1N=Cc1ccc2ccccc2c1[O-] ZINC000260840533 328073716 /nfs/dbraw/zinc/07/37/16/328073716.db2.gz AVLBSFIPGQOYEM-UHFFFAOYSA-N -1 3 291.350 4.695 40 30 CJEBHM Cc1cccc(N=Cc2ccc3ccccc3c2[O-])c1 ZINC000260840542 328073803 /nfs/dbraw/zinc/07/38/03/328073803.db2.gz BQXWUTYKNUAOLX-UHFFFAOYSA-N -1 3 261.324 4.604 40 30 CJEBHM Cc1ccc(C)c(N=Cc2ccc3ccccc3c2[O-])c1 ZINC000260840594 328073893 /nfs/dbraw/zinc/07/38/93/328073893.db2.gz IKHWSWIKKUXCQN-UHFFFAOYSA-N -1 3 275.351 4.913 40 30 CJEBHM [O-]c1c(C=Nc2ccc(Cl)cc2)ccc2ccccc12 ZINC000260840595 328073835 /nfs/dbraw/zinc/07/38/35/328073835.db2.gz IKPVCWGJQXIOEF-UHFFFAOYSA-N -1 3 281.742 4.949 40 30 CJEBHM Cc1cccc(N=Cc2ccc3ccccc3c2[O-])c1C ZINC000260840612 328073712 /nfs/dbraw/zinc/07/37/12/328073712.db2.gz MQZUWBPJKGVXCD-UHFFFAOYSA-N -1 3 275.351 4.913 40 30 CJEBHM [O-]c1c(C=Nc2cccc(Cl)c2)ccc2ccccc12 ZINC000260840624 328073853 /nfs/dbraw/zinc/07/38/53/328073853.db2.gz NHQNHYGIPCHADR-UHFFFAOYSA-N -1 3 281.742 4.949 40 30 CJEBHM Cc1ccc(N=Cc2ccc3ccccc3c2[O-])c(C)c1 ZINC000260840632 328073799 /nfs/dbraw/zinc/07/37/99/328073799.db2.gz OWLKSZQIYXBYGH-UHFFFAOYSA-N -1 3 275.351 4.913 40 30 CJEBHM CCOc1ccc(N=Cc2ccc3ccccc3c2[O-])cc1 ZINC000260840645 328073725 /nfs/dbraw/zinc/07/37/25/328073725.db2.gz QYHWPYDNIXASQO-UHFFFAOYSA-N -1 3 291.350 4.695 40 30 CJEBHM Cc1ccccc1N=Cc1ccc2ccccc2c1[O-] ZINC000260840655 328073859 /nfs/dbraw/zinc/07/38/59/328073859.db2.gz UNXCCFTUMMPDLQ-UHFFFAOYSA-N -1 3 261.324 4.604 40 30 CJEBHM Cc1cccc(C)c1N=Cc1ccc2ccccc2c1[O-] ZINC000260840658 328073709 /nfs/dbraw/zinc/07/37/09/328073709.db2.gz VOJFAZWCVDHHOS-UHFFFAOYSA-N -1 3 275.351 4.913 40 30 CJEBHM Cc1ccc(N=Cc2ccc3ccccc3c2[O-])cc1 ZINC000260840664 328073899 /nfs/dbraw/zinc/07/38/99/328073899.db2.gz WJFRPEBTHLDPNY-UHFFFAOYSA-N -1 3 261.324 4.604 40 30 CJEBHM CCCCCCCCOc1ccc(/C=N\[O-])cc1OCC ZINC000408539959 567848616 /nfs/dbraw/zinc/84/86/16/567848616.db2.gz KYPHQBVUBHZVND-JXAWBTAJSA-N -1 3 293.407 4.633 40 30 CJEBHM Cc1cc(/C=N/c2cccc([O-])c2)c(C)n1-c1ccccc1 ZINC000408737333 567860890 /nfs/dbraw/zinc/86/08/90/567860890.db2.gz BUTQXQMKWVYJTL-DEDYPNTBSA-N -1 3 290.366 4.550 40 30 CJEBHM [O-]c1ccccc1/N=C\c1cccn1-c1ccc(Cl)cc1 ZINC000408855004 567933470 /nfs/dbraw/zinc/93/34/70/567933470.db2.gz LQYJIFUTQFGOSJ-UNOMPAQXSA-N -1 3 296.757 4.587 40 30 CJEBHM CCc1ccccc1/N=C/c1ccc2ccccc2c1[O-] ZINC000409054195 570276016 /nfs/dbraw/zinc/27/60/16/570276016.db2.gz IAFHYSRWNRCWPN-DEDYPNTBSA-N -1 3 275.351 4.858 40 30 CJEBHM [O-]c1c(/C=N/c2ccc(F)cc2F)ccc2ccccc12 ZINC000409056281 570276030 /nfs/dbraw/zinc/27/60/30/570276030.db2.gz CCEIWDDSZJALCQ-KEBDBYFISA-N -1 3 283.277 4.574 40 30 CJEBHM COc1ccc(C)cc1/N=C/c1ccc2ccccc2c1[O-] ZINC000409060905 567933966 /nfs/dbraw/zinc/93/39/66/567933966.db2.gz ACTYPHBOUKVGHC-UDWIEESQSA-N -1 3 291.350 4.613 40 30 CJEBHM CCc1ccc(/N=C/c2ccc3ccccc3c2[O-])cc1 ZINC000409062112 567934208 /nfs/dbraw/zinc/93/42/08/567934208.db2.gz NTNLKJQGTQIFBS-DEDYPNTBSA-N -1 3 275.351 4.858 40 30 CJEBHM [O-]c1cccc(/C=N\c2ccc(Oc3ccccc3)cc2)c1 ZINC000409218194 567934802 /nfs/dbraw/zinc/93/48/02/567934802.db2.gz TUZUUNYIWUMZSU-ZHZULCJRSA-N -1 3 289.334 4.935 40 30 CJEBHM