smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [O-]c1ccc2ccccc2c1/C=N/c1ccc2ncccc2c1 ZINC000000044905 567816963 /nfs/dbraw/zinc/81/69/63/567816963.db2.gz BPIQNZMKYHYJKY-LPYMAVHISA-N -1 3 298.345 4.844 50 30 CJEAHM Cc1ccc([O-])c(/N=C/c2ccc(C(C)C)cc2)c1 ZINC000000046346 567816860 /nfs/dbraw/zinc/81/68/60/567816860.db2.gz RIDPRIBTVPYBSC-WOJGMQOQSA-N -1 3 253.345 4.575 50 30 CJEAHM [O-]c1ccccc1/C=N/c1ccc(Nc2ccccc2)cc1 ZINC000000059521 570341948 /nfs/dbraw/zinc/34/19/48/570341948.db2.gz HUAVUSOCXGZAQJ-XSFVSMFZSA-N -1 3 288.350 4.886 50 30 CJEAHM CCOc1ccc(/N=C/c2c([O-])ccc3ccccc32)cc1 ZINC000000061267 567053230 /nfs/dbraw/zinc/05/32/30/567053230.db2.gz WZLSZRQKQUTFBX-DEDYPNTBSA-N -1 3 291.350 4.695 50 30 CJEAHM CCOc1ccccc1/N=C/c1c([O-])ccc2ccccc21 ZINC000000061303 567054324 /nfs/dbraw/zinc/05/43/24/567054324.db2.gz SIDYFSJXSZAOMQ-DEDYPNTBSA-N -1 3 291.350 4.695 50 30 CJEAHM [O-]c1ccc(/C=N/c2ccc(Nc3ccccc3)cc2)cc1 ZINC000000062373 567817372 /nfs/dbraw/zinc/81/73/72/567817372.db2.gz VDLJAOBPFPHSPI-XSFVSMFZSA-N -1 3 288.350 4.886 50 30 CJEAHM Cc1ccc(/N=C/c2ccc3ccccc3c2)c([O-])c1 ZINC000000065101 567817323 /nfs/dbraw/zinc/81/73/23/567817323.db2.gz XTEYRHOQKBJEMP-XDHOZWIPSA-N -1 3 261.324 4.604 50 30 CJEAHM COc1ccc2ccccc2c1/C=N/c1ccc(C)cc1[O-] ZINC000000065452 567817467 /nfs/dbraw/zinc/81/74/67/567817467.db2.gz WFAJMHYPBDLCCN-UDWIEESQSA-N -1 3 291.350 4.613 50 30 CJEAHM COc1ccc(/C=N/c2ccc(C)cc2[O-])c2ccccc12 ZINC000000095388 567817939 /nfs/dbraw/zinc/81/79/39/567817939.db2.gz PTFGLRLCOFNQLW-UDWIEESQSA-N -1 3 291.350 4.613 50 30 CJEAHM Cc1ccc(/N=C/c2ccc(Cl)cc2Cl)c([O-])c1 ZINC000000095421 567818040 /nfs/dbraw/zinc/81/80/40/567818040.db2.gz DCRFCXPEYFYVNA-CAOOACKPSA-N -1 3 280.154 4.758 50 30 CJEAHM C/C(=N\Cc1ccc(Cl)c(Cl)c1)c1ccccc1[O-] ZINC000000097745 567818273 /nfs/dbraw/zinc/81/82/73/567818273.db2.gz KQWYBZPAYQQDKU-VCHYOVAHSA-N -1 3 294.181 4.708 50 30 CJEAHM C/C(=N\Cc1ccccc1Cl)c1ccc(Cl)cc1[O-] ZINC000000130752 567819436 /nfs/dbraw/zinc/81/94/36/567819436.db2.gz MNTAXDMXDLQPCL-VCHYOVAHSA-N -1 3 294.181 4.708 50 30 CJEAHM [O-]c1ccccc1/C=N/c1ccc(Oc2ccccc2)cc1 ZINC000000130760 567819441 /nfs/dbraw/zinc/81/94/41/567819441.db2.gz AVTBTCIZZJMJMC-XSFVSMFZSA-N -1 3 289.334 4.935 50 30 CJEAHM [O-]c1ccc(/C=N/c2ccc(-c3ccccc3)cc2)cc1 ZINC000000222563 169579435 /nfs/dbraw/zinc/57/94/35/169579435.db2.gz UEADODMGGXSPQD-XSFVSMFZSA-N -1 3 273.335 4.810 50 30 CJEAHM Cc1cccc(/N=C/c2c([O-])cc(C)c(Cl)c2C)c1 ZINC000000226410 570264420 /nfs/dbraw/zinc/26/44/20/570264420.db2.gz AYOCWADGVLPVSC-GIJQJNRQSA-N -1 3 273.763 4.721 50 30 CJEAHM Cc1ccc(/N=C/c2c([O-])cc(C)c(Cl)c2C)cc1 ZINC000000226460 570264576 /nfs/dbraw/zinc/26/45/76/570264576.db2.gz ODNWJWFFKJVPKH-GIJQJNRQSA-N -1 3 273.763 4.721 50 30 CJEAHM Cc1cc([O-])c(/C=N/c2ccc(F)cc2)c(C)c1Cl ZINC000000226468 570264403 /nfs/dbraw/zinc/26/44/03/570264403.db2.gz GSNCFUMTEJEXBI-QGMBQPNBSA-N -1 3 277.726 4.552 50 30 CJEAHM Cc1ccc(/N=C/c2ccc(Cl)c(Cl)c2)c([O-])c1 ZINC000000226493 570264494 /nfs/dbraw/zinc/26/44/94/570264494.db2.gz VTRGSXLPYJFJMB-CAOOACKPSA-N -1 3 280.154 4.758 50 30 CJEAHM Cc1cc(C)c(O)c(/N=C/c2c([O-])ccc3ccccc23)c1 ZINC000000243512 567925436 /nfs/dbraw/zinc/92/54/36/567925436.db2.gz GQBSTLYGALGELY-RGVLZGJSSA-N -1 3 291.350 4.618 50 30 CJEAHM CCc1ccc(/N=C/c2c([O-])ccc3ccccc32)cc1 ZINC000000259895 570342030 /nfs/dbraw/zinc/34/20/30/570342030.db2.gz JPZIGMWHWAOWNX-DEDYPNTBSA-N -1 3 275.351 4.858 50 30 CJEAHM [O-]c1ccccc1/N=C/c1ccc(-c2cccs2)s1 ZINC000000272396 567823641 /nfs/dbraw/zinc/82/36/41/567823641.db2.gz KCZVKHJWEKFMKS-MHWRWJLKSA-N -1 3 285.393 4.933 50 30 CJEAHM Cc1cc(C)cc(/N=C/c2c([O-])ccc3ccccc32)c1 ZINC000000297458 567824317 /nfs/dbraw/zinc/82/43/17/567824317.db2.gz HVPBPQZLDPVDRG-UDWIEESQSA-N -1 3 275.351 4.913 50 30 CJEAHM Cc1ccc(/N=C/c2cccc(Cl)c2Cl)c([O-])c1 ZINC000000297941 567824348 /nfs/dbraw/zinc/82/43/48/567824348.db2.gz MVENOTGODKXLBJ-CAOOACKPSA-N -1 3 280.154 4.758 50 30 CJEAHM C=CCc1cccc(/C=N/c2c(C)cc(C)cc2C)c1[O-] ZINC000000353568 567826428 /nfs/dbraw/zinc/82/64/28/567826428.db2.gz SWIVFSRMIDZNKL-UDWIEESQSA-N -1 3 279.383 4.797 50 30 CJEAHM [O-]c1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1 ZINC000000498042 566909670 /nfs/dbraw/zinc/90/96/70/566909670.db2.gz OKFCZRVABHGWAF-XSFVSMFZSA-N -1 3 289.334 4.935 50 30 CJEAHM C/C(=N\Cc1c(C)c(C)c(C)c(C)c1C)c1ccccc1[O-] ZINC000001045188 567835666 /nfs/dbraw/zinc/83/56/66/567835666.db2.gz XARRYFFVXIEBRF-HEHNFIMWSA-N -1 3 295.426 4.944 50 30 CJEAHM Cc1cc(/C=N/c2ccc([O-])cc2)c(C)n1-c1ccccc1 ZINC000001091595 567835933 /nfs/dbraw/zinc/83/59/33/567835933.db2.gz YBAQZGVENMNDFV-DEDYPNTBSA-N -1 3 290.366 4.550 50 30 CJEAHM Cc1cc(/C=N/c2ccccc2[O-])c(C)n1-c1ccccc1 ZINC000001091603 567836018 /nfs/dbraw/zinc/83/60/18/567836018.db2.gz FYSIGNLHKSAUJK-DEDYPNTBSA-N -1 3 290.366 4.550 50 30 CJEAHM CCCCCCCCCCOC(=O)c1ccc([O-])cc1 ZINC000001568933 528126461 /nfs/dbraw/zinc/12/64/61/528126461.db2.gz GMMXJVUYXPXLPY-UHFFFAOYSA-N -1 3 278.392 4.690 50 30 CJEAHM COc1ccc(C)cc1/N=C/c1c([O-])ccc2ccccc21 ZINC000002143378 566910921 /nfs/dbraw/zinc/91/09/21/566910921.db2.gz GFAPLECURNQCPS-UDWIEESQSA-N -1 3 291.350 4.613 50 30 CJEAHM Cc1ccc([O-])c(/N=C/c2ccc(Cl)cc2Cl)c1 ZINC000002143569 566911536 /nfs/dbraw/zinc/91/15/36/566911536.db2.gz JUZSIJIMMODFMA-CAOOACKPSA-N -1 3 280.154 4.758 50 30 CJEAHM [O-]c1ccccc1/C=N/C1c2ccccc2-c2ccccc21 ZINC000002546494 169806633 /nfs/dbraw/zinc/80/66/33/169806633.db2.gz KOQVADMPNVOTRF-FYJGNVAPSA-N -1 3 285.346 4.581 50 30 CJEAHM CCCCCOc1ccc(/C=N/c2ccccc2[O-])cc1 ZINC000002896915 570291737 /nfs/dbraw/zinc/29/17/37/570291737.db2.gz XLBOTNIBBVGETK-XMHGGMMESA-N -1 3 283.371 4.712 50 30 CJEAHM CCOc1ccc(/C=N/c2cccc3ccccc32)c([O-])c1 ZINC000003897737 567183051 /nfs/dbraw/zinc/18/30/51/567183051.db2.gz JKJMOEXINWAMSX-DEDYPNTBSA-N -1 3 291.350 4.695 50 30 CJEAHM CCN(CC)c1ccc(/C=N/c2ccc(C)c(C)c2)c([O-])c1 ZINC000004513728 567868814 /nfs/dbraw/zinc/86/88/14/567868814.db2.gz BJXPHMSHHRTJCS-DEDYPNTBSA-N -1 3 296.414 4.606 50 30 CJEAHM C/C(=N\[O-])c1cc(-c2ccccc2)c(C(F)(F)F)s1 ZINC000004709773 170003158 /nfs/dbraw/zinc/00/31/58/170003158.db2.gz WXVLWGCRWFYBBD-CAOOACKPSA-N -1 3 285.290 4.632 50 30 CJEAHM Cc1ccc(N/C(=N\[O-])c2ccc(Cl)cc2Cl)cc1 ZINC000004982473 170048757 /nfs/dbraw/zinc/04/87/57/170048757.db2.gz CKXBLQPHJJNOFK-UHFFFAOYSA-N -1 3 295.169 4.550 50 30 CJEAHM CCOc1ccc2cc(/C(=N\[O-])C3CCCCC3)ccc2c1 ZINC000004996846 170052155 /nfs/dbraw/zinc/05/21/55/170052155.db2.gz OFUCQULANKQDSO-VXPUYCOJSA-N -1 3 297.398 4.997 50 30 CJEAHM CSc1cccc(/N=C/c2cc(Cl)ccc2[O-])c1 ZINC000005286776 170083337 /nfs/dbraw/zinc/08/33/37/170083337.db2.gz IOZPPZDUQPTSQJ-CXUHLZMHSA-N -1 3 277.776 4.518 50 30 CJEAHM [O-]c1ccc(Cl)cc1/C=N/c1ccc(F)cc1Cl ZINC000005287510 170083113 /nfs/dbraw/zinc/08/31/13/170083113.db2.gz GXNISYPBEKRDJG-REZTVBANSA-N -1 3 284.117 4.589 50 30 CJEAHM [O-]c1ccccc1/C=N\c1ccc(Cl)c(C(F)(F)F)c1 ZINC000005288076 170083410 /nfs/dbraw/zinc/08/34/10/170083410.db2.gz NLBFZQCOVUFPHS-UWVJOHFNSA-N -1 3 299.679 4.815 50 30 CJEAHM CSc1ccc(/N=C/c2cc(Cl)ccc2[O-])cc1 ZINC000005335562 170087141 /nfs/dbraw/zinc/08/71/41/170087141.db2.gz XYFRMSVPLQCLMP-CXUHLZMHSA-N -1 3 277.776 4.518 50 30 CJEAHM CCCCCOc1ccc(/C(CCCCC)=N/[O-])c(O)c1 ZINC000005417774 170096723 /nfs/dbraw/zinc/09/67/23/170096723.db2.gz RFZMWJXRBRXJOW-FBMGVBCBSA-N -1 3 293.407 4.720 50 30 CJEAHM CC(C)(C)c1ccc(/C=C/C(=O)c2cccc([O-])c2)cc1 ZINC000006626557 170219852 /nfs/dbraw/zinc/21/98/52/170219852.db2.gz OXXKDMZZLFBMSZ-FMIVXFBMSA-N -1 3 280.367 4.586 50 30 CJEAHM O=C(/C=C/c1c(Cl)cccc1Cl)c1cccc([O-])c1 ZINC000006790092 170243817 /nfs/dbraw/zinc/24/38/17/170243817.db2.gz YFRYWWRGMLGVOI-BQYQJAHWSA-N -1 3 293.149 4.595 50 30 CJEAHM N#CC(=C([O-])c1cccs1)c1ccc(Cl)cc1Cl ZINC000006829212 170247364 /nfs/dbraw/zinc/24/73/64/170247364.db2.gz VSWUCDMLRNQGGL-JTQLQIEISA-N -1 3 296.178 4.545 50 30 CJEAHM N#CC(=C([O-])c1cccs1)c1ccc(Cl)cc1Cl ZINC000006829215 170247216 /nfs/dbraw/zinc/24/72/16/170247216.db2.gz VSWUCDMLRNQGGL-SNVBAGLBSA-N -1 3 296.178 4.545 50 30 CJEAHM C=Cc1ccc(/N=C/c2c([O-])ccc3ccccc23)cc1 ZINC000013121681 567116542 /nfs/dbraw/zinc/11/65/42/567116542.db2.gz YQLKZQZPZDXNFB-DEDYPNTBSA-N -1 3 273.335 4.939 50 30 CJEAHM [O-]/N=C(\Cc1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000016102354 567872202 /nfs/dbraw/zinc/87/22/02/567872202.db2.gz PWSZMLVPUZIGRO-QZQOTICOSA-N -1 3 287.362 4.775 50 30 CJEAHM [O-]c1ccc2oc3c(c2c1/C=N/c1ccccc1)CCCC3 ZINC000016451123 567873131 /nfs/dbraw/zinc/87/31/31/567873131.db2.gz WJNAZIZJBFBBDD-UDWIEESQSA-N -1 3 291.350 4.768 50 30 CJEAHM [O-]c1ccccc1/C=N/c1cc(C(F)(F)F)ccc1Cl ZINC000016918414 567874309 /nfs/dbraw/zinc/87/43/09/567874309.db2.gz MSGXOCFNGVTWKL-UFWORHAWSA-N -1 3 299.679 4.815 50 30 CJEAHM [O-]c1ccc2ccccc2c1/C=N/c1cccc(Cl)c1 ZINC000016980206 566896005 /nfs/dbraw/zinc/89/60/05/566896005.db2.gz NAOHNCHHOYHAPA-YBFXNURJSA-N -1 3 281.742 4.949 50 30 CJEAHM [O-]/N=C1/c2cc(Cl)ccc2-c2c1cc(Cl)cc2Cl ZINC000017420393 566913696 /nfs/dbraw/zinc/91/36/96/566913696.db2.gz VTNWXOMGUDVHMJ-LGMDPLHJSA-N -1 3 298.556 4.854 50 30 CJEAHM O=C(/C=C/c1ccccc1[O-])c1ccc(Cl)c(Cl)c1 ZINC000023279575 567881720 /nfs/dbraw/zinc/88/17/20/567881720.db2.gz IBOBRMSYRBEIPM-SOFGYWHQSA-N -1 3 293.149 4.595 50 30 CJEAHM O=C(/C=C\c1c(Cl)cccc1Cl)c1cccc([O-])c1 ZINC000033469986 171804877 /nfs/dbraw/zinc/80/48/77/171804877.db2.gz YFRYWWRGMLGVOI-FPLPWBNLSA-N -1 3 293.149 4.595 50 30 CJEAHM C=CCc1ccc([O-])c(Oc2ccc(C(=O)CC)cc2)c1 ZINC000034063294 519134999 /nfs/dbraw/zinc/13/49/99/519134999.db2.gz LVHHYWFCRQIOJG-UHFFFAOYSA-N -1 3 282.339 4.506 50 30 CJEAHM Cc1cc(C)c(/N=C/c2cc(Cl)ccc2[O-])c(C)c1 ZINC000040477003 174282703 /nfs/dbraw/zinc/28/27/03/174282703.db2.gz AUCGAIVXLRYNQR-GIJQJNRQSA-N -1 3 273.763 4.721 50 30 CJEAHM CC(C)c1ccc(/N=C/c2cc(Cl)ccc2[O-])cc1 ZINC000040477005 174282674 /nfs/dbraw/zinc/28/26/74/174282674.db2.gz HTJWKOXMXAOVJP-VCHYOVAHSA-N -1 3 273.763 4.920 50 30 CJEAHM [O-]c1ccc(Cl)cc1/C=N\c1cc(F)ccc1Cl ZINC000040477014 174282939 /nfs/dbraw/zinc/28/29/39/174282939.db2.gz DNNPCIHMWJLIAK-IDUWFGFVSA-N -1 3 284.117 4.589 50 30 CJEAHM [O-]c1ccc(Cl)cc1/C=N\c1ccccc1C(F)(F)F ZINC000040477017 174282862 /nfs/dbraw/zinc/28/28/62/174282862.db2.gz UYZYURJVDJKVKO-UWVJOHFNSA-N -1 3 299.679 4.815 50 30 CJEAHM [O-]c1ccc(Cl)cc1/C=N\c1ccc(C(F)(F)F)cc1 ZINC000040477019 174282713 /nfs/dbraw/zinc/28/27/13/174282713.db2.gz ZBQQFGFAAHWPSX-UWVJOHFNSA-N -1 3 299.679 4.815 50 30 CJEAHM Cc1ccc(/N=C\c2cc(Cl)ccc2[O-])c(Cl)c1 ZINC000040477026 174282811 /nfs/dbraw/zinc/28/28/11/174282811.db2.gz XACZIIIXCVNAKA-IUXPMGMMSA-N -1 3 280.154 4.758 50 30 CJEAHM Cc1cccc(Cl)c1/N=C/c1cc(Cl)ccc1[O-] ZINC000044835787 175262296 /nfs/dbraw/zinc/26/22/96/175262296.db2.gz AUVYUTYJGJHVOZ-CAOOACKPSA-N -1 3 280.154 4.758 50 30 CJEAHM Cc1cc(/N=C/c2cc(Cl)ccc2[O-])ccc1Cl ZINC000044835801 175262593 /nfs/dbraw/zinc/26/25/93/175262593.db2.gz HNLYSCLIDPSAHP-CAOOACKPSA-N -1 3 280.154 4.758 50 30 CJEAHM Cc1c(Cl)cccc1/N=C/c1cc(Cl)ccc1[O-] ZINC000044932713 175280817 /nfs/dbraw/zinc/28/08/17/175280817.db2.gz PAGGCJVGBDAHSN-CAOOACKPSA-N -1 3 280.154 4.758 50 30 CJEAHM O=C(/C=C/c1ccccc1[O-])c1ccc(Cl)cc1Cl ZINC000051330033 567944725 /nfs/dbraw/zinc/94/47/25/567944725.db2.gz BSSZZMBTTFYYLJ-VMPITWQZSA-N -1 3 293.149 4.595 50 30 CJEAHM Cc1ccc(C(=O)/C=C/c2cc(Cl)ccc2[O-])c(C)c1 ZINC000072332972 567895599 /nfs/dbraw/zinc/89/55/99/567895599.db2.gz KWUGJBHBNYDPLM-QPJJXVBHSA-N -1 3 286.758 4.559 50 30 CJEAHM CC(C)c1ccc(O)c(/N=C/c2cc(Cl)ccc2[O-])c1 ZINC000095482082 567917056 /nfs/dbraw/zinc/91/70/56/567917056.db2.gz NAKYYKPHKISQAX-GIJQJNRQSA-N -1 3 289.762 4.625 50 30 CJEAHM Cc1ccc(/N=C/c2c([O-])ccc3ccccc32)cc1 ZINC000096006204 185062833 /nfs/dbraw/zinc/06/28/33/185062833.db2.gz FLLXNRWVERXYJX-XDHOZWIPSA-N -1 3 261.324 4.604 50 30 CJEAHM Cc1ccccc1/N=C/c1c([O-])ccc2ccccc21 ZINC000096006205 185062755 /nfs/dbraw/zinc/06/27/55/185062755.db2.gz DHMQBAZAQAXKEX-XDHOZWIPSA-N -1 3 261.324 4.604 50 30 CJEAHM [O-]c1ccc2ccccc2c1/C=N/c1ccc(Cl)cc1 ZINC000096006209 185063174 /nfs/dbraw/zinc/06/31/74/185063174.db2.gz DDNKLPBPRNKRFI-YBFXNURJSA-N -1 3 281.742 4.949 50 30 CJEAHM CCCCCCCCCCCC[N-]C(=O)C(F)(F)Cl ZINC000097977029 528123940 /nfs/dbraw/zinc/12/39/40/528123940.db2.gz XXWGURBNDKIVRR-UHFFFAOYSA-N -1 3 297.817 4.855 50 30 CJEAHM Cc1ccc([O-])c(/N=C/c2cccc3ccccc23)c1 ZINC000098087441 567911272 /nfs/dbraw/zinc/91/12/72/567911272.db2.gz JLJRJSRPGQMKDQ-XDHOZWIPSA-N -1 3 261.324 4.604 50 30 CJEAHM Cc1ccc(/N=C/c2cc(Cl)ccc2[O-])cc1Cl ZINC000098212989 567911686 /nfs/dbraw/zinc/91/16/86/567911686.db2.gz TVCUWWNICJYWEI-CAOOACKPSA-N -1 3 280.154 4.758 50 30 CJEAHM CCN(CC)c1ccc(/C=N/c2ccc(C)cc2C)c([O-])c1 ZINC000100003603 567911665 /nfs/dbraw/zinc/91/16/65/567911665.db2.gz SSUBZVOLPSPUEQ-DEDYPNTBSA-N -1 3 296.414 4.606 50 30 CJEAHM CCN(CC)c1ccc(/C=N/c2cc(C)cc(C)c2)c([O-])c1 ZINC000100003767 567911825 /nfs/dbraw/zinc/91/18/25/567911825.db2.gz ZETJVHQQHFUIJD-DEDYPNTBSA-N -1 3 296.414 4.606 50 30 CJEAHM Cc1ccc(C)c(/N=C/c2c([O-])ccc3ccccc32)c1 ZINC000100004252 567911946 /nfs/dbraw/zinc/91/19/46/567911946.db2.gz WFTMMDRADYRWGW-UDWIEESQSA-N -1 3 275.351 4.913 50 30 CJEAHM Cc1ccc(/N=C/c2c([O-])ccc3ccccc23)cc1F ZINC000100004271 567911917 /nfs/dbraw/zinc/91/19/17/567911917.db2.gz OQMFXVDRXLJQKM-RGVLZGJSSA-N -1 3 279.314 4.744 50 30 CJEAHM CCN(CC)c1ccc(/C=N/c2cc(C)ccc2C)c([O-])c1 ZINC000100008993 567911897 /nfs/dbraw/zinc/91/18/97/567911897.db2.gz XDZQSTONOMEUCL-DEDYPNTBSA-N -1 3 296.414 4.606 50 30 CJEAHM [O-]c1ccccc1/C=N/c1ccc(Cl)c(C(F)(F)F)c1 ZINC000100037305 570257073 /nfs/dbraw/zinc/25/70/73/570257073.db2.gz NLBFZQCOVUFPHS-UFWORHAWSA-N -1 3 299.679 4.815 50 30 CJEAHM [O-]c1ccccc1/C=N/c1ccc(Cl)cc1C(F)(F)F ZINC000100037307 570257080 /nfs/dbraw/zinc/25/70/80/570257080.db2.gz XEAAIRAJCHKWCB-UFWORHAWSA-N -1 3 299.679 4.815 50 30 CJEAHM [O-]c1ccc(Cl)cc1/C=N/c1ccc(C(F)(F)F)cc1 ZINC000100037432 570257104 /nfs/dbraw/zinc/25/71/04/570257104.db2.gz ZBQQFGFAAHWPSX-UFWORHAWSA-N -1 3 299.679 4.815 50 30 CJEAHM [O-]c1ccc(Cl)cc1/C=N/c1cc(F)ccc1Cl ZINC000100037444 570257163 /nfs/dbraw/zinc/25/71/63/570257163.db2.gz DNNPCIHMWJLIAK-REZTVBANSA-N -1 3 284.117 4.589 50 30 CJEAHM Cc1ccc(/N=C/c2cc(Cl)ccc2[O-])c(Cl)c1 ZINC000100037446 570257124 /nfs/dbraw/zinc/25/71/24/570257124.db2.gz XACZIIIXCVNAKA-CAOOACKPSA-N -1 3 280.154 4.758 50 30 CJEAHM [O-]c1ccc(Cl)cc1/C=N/c1ccccc1C(F)(F)F ZINC000100037471 570257172 /nfs/dbraw/zinc/25/71/72/570257172.db2.gz UYZYURJVDJKVKO-UFWORHAWSA-N -1 3 299.679 4.815 50 30 CJEAHM C/C(=N\[O-])c1ccc(Oc2ccc(Cl)cc2)cc1Cl ZINC000100067328 570258443 /nfs/dbraw/zinc/25/84/43/570258443.db2.gz IWTIMYCZNWEZAW-RQZCQDPDSA-N -1 3 296.153 4.984 50 30 CJEAHM Cc1cccc(/N=C/c2c([O-])ccc3ccccc32)c1C ZINC000100145880 567912335 /nfs/dbraw/zinc/91/23/35/567912335.db2.gz WLICCJVXTALUGI-UDWIEESQSA-N -1 3 275.351 4.913 50 30 CJEAHM CCc1ccccc1/N=C/c1c([O-])ccc2ccccc21 ZINC000100159179 567912296 /nfs/dbraw/zinc/91/22/96/567912296.db2.gz MKYCFZBXRMOUOP-DEDYPNTBSA-N -1 3 275.351 4.858 50 30 CJEAHM CCCCCCCCC/C(=N\O)c1ccc(OC)cc1[O-] ZINC000100166349 567912434 /nfs/dbraw/zinc/91/24/34/567912434.db2.gz FNIAZZWZJGPTEW-FBMGVBCBSA-N -1 3 293.407 4.720 50 30 CJEAHM CCCCCCCCC/C(=N\[O-])c1ccc(OC)cc1O ZINC000100166349 567912431 /nfs/dbraw/zinc/91/24/31/567912431.db2.gz FNIAZZWZJGPTEW-FBMGVBCBSA-N -1 3 293.407 4.720 50 30 CJEAHM Cc1cccc(/N=C/c2c([O-])ccc3ccccc32)c1 ZINC000100248177 534578707 /nfs/dbraw/zinc/57/87/07/534578707.db2.gz KPOSMMCBBUZMRX-XDHOZWIPSA-N -1 3 261.324 4.604 50 30 CJEAHM Cc1ccc(/N=C/c2c([O-])ccc3ccccc32)c(C)c1 ZINC000100248282 230391599 /nfs/dbraw/zinc/39/15/99/230391599.db2.gz OXXMQKOVIVAAJR-UDWIEESQSA-N -1 3 275.351 4.913 50 30 CJEAHM Cc1ccc(/N=C/c2c([O-])ccc3ccccc32)cc1C ZINC000100248289 230391613 /nfs/dbraw/zinc/39/16/13/230391613.db2.gz OWBGHJAGTCDGDC-UDWIEESQSA-N -1 3 275.351 4.913 50 30 CJEAHM C=CCc1cccc(/C=N/c2ccc(Cl)cc2)c1[O-] ZINC000101332540 567914833 /nfs/dbraw/zinc/91/48/33/567914833.db2.gz PJDNDXJKLSNFKX-WOJGMQOQSA-N -1 3 271.747 4.525 50 30 CJEAHM Cc1cc(O)c(/N=C/c2c([O-])ccc3ccccc23)cc1C ZINC000102414141 567915260 /nfs/dbraw/zinc/91/52/60/567915260.db2.gz UQHXIULRCPRPAQ-RGVLZGJSSA-N -1 3 291.350 4.618 50 30 CJEAHM [O-]c1ccc2ccccc2c1C=Nc1cccc(Cl)c1 ZINC000252394453 566972421 /nfs/dbraw/zinc/97/24/21/566972421.db2.gz NAOHNCHHOYHAPA-UHFFFAOYSA-N -1 3 281.742 4.949 50 30 CJEAHM Cc1ccc(N=Cc2ccc(Cl)cc2Cl)c([O-])c1 ZINC000252460289 567051957 /nfs/dbraw/zinc/05/19/57/567051957.db2.gz DCRFCXPEYFYVNA-UHFFFAOYSA-N -1 3 280.154 4.758 50 30 CJEAHM Cc1cc(C)cc(N=Cc2c([O-])ccc3ccccc32)c1 ZINC000252460744 570270330 /nfs/dbraw/zinc/27/03/30/570270330.db2.gz HVPBPQZLDPVDRG-UHFFFAOYSA-N -1 3 275.351 4.913 50 30 CJEAHM Cc1ccc([O-])c(N=Cc2cccc3ccccc23)c1 ZINC000252460956 567052512 /nfs/dbraw/zinc/05/25/12/567052512.db2.gz JLJRJSRPGQMKDQ-UHFFFAOYSA-N -1 3 261.324 4.604 50 30 CJEAHM Cc1ccc(N=Cc2cccc(Cl)c2Cl)c([O-])c1 ZINC000252461492 567051338 /nfs/dbraw/zinc/05/13/38/567051338.db2.gz MVENOTGODKXLBJ-UHFFFAOYSA-N -1 3 280.154 4.758 50 30 CJEAHM Cc1ccc(N=Cc2c([O-])ccc3ccccc23)cc1F ZINC000252461954 567051061 /nfs/dbraw/zinc/05/10/61/567051061.db2.gz OQMFXVDRXLJQKM-UHFFFAOYSA-N -1 3 279.314 4.744 50 30 CJEAHM Cc1ccc([O-])c(N=Cc2ccc(C(C)C)cc2)c1 ZINC000252462298 567051805 /nfs/dbraw/zinc/05/18/05/567051805.db2.gz RIDPRIBTVPYBSC-UHFFFAOYSA-N -1 3 253.345 4.575 50 30 CJEAHM CCN(CC)c1ccc(C=Nc2ccc(C)cc2C)c([O-])c1 ZINC000252462499 567051282 /nfs/dbraw/zinc/05/12/82/567051282.db2.gz SSUBZVOLPSPUEQ-UHFFFAOYSA-N -1 3 296.414 4.606 50 30 CJEAHM CCN(CC)c1ccc(C=Nc2cc(C)ccc2C)c([O-])c1 ZINC000252462892 567051309 /nfs/dbraw/zinc/05/13/09/567051309.db2.gz XDZQSTONOMEUCL-UHFFFAOYSA-N -1 3 296.414 4.606 50 30 CJEAHM Cc1ccc(N=Cc2ccc3ccccc3c2)c([O-])c1 ZINC000252462960 567051269 /nfs/dbraw/zinc/05/12/69/567051269.db2.gz XTEYRHOQKBJEMP-UHFFFAOYSA-N -1 3 261.324 4.604 50 30 CJEAHM CCN(CC)c1ccc(C=Nc2cc(C)cc(C)c2)c([O-])c1 ZINC000252463142 567053938 /nfs/dbraw/zinc/05/39/38/567053938.db2.gz ZETJVHQQHFUIJD-UHFFFAOYSA-N -1 3 296.414 4.606 50 30 CJEAHM [O-]c1ccc2ccccc2c1C=Nc1cccc2cccnc21 ZINC000252622553 567067789 /nfs/dbraw/zinc/06/77/89/567067789.db2.gz NYATZZYCIAUYIB-UHFFFAOYSA-N -1 3 298.345 4.844 50 30 CJEAHM C=CCc1cccc(C=Nc2ccc(Cl)cc2)c1[O-] ZINC000252624218 567067934 /nfs/dbraw/zinc/06/79/34/567067934.db2.gz PJDNDXJKLSNFKX-UHFFFAOYSA-N -1 3 271.747 4.525 50 30 CJEAHM C=CCc1cccc(C=Nc2c(C)cc(C)cc2C)c1[O-] ZINC000252628726 567069571 /nfs/dbraw/zinc/06/95/71/567069571.db2.gz SWIVFSRMIDZNKL-UHFFFAOYSA-N -1 3 279.383 4.797 50 30 CJEAHM [O-]c1ccc(Cl)cc1C=Nc1ccc2ccccc2c1 ZINC000252641292 570377828 /nfs/dbraw/zinc/37/78/28/570377828.db2.gz ZBCFGZWMLNYFNT-UHFFFAOYSA-N -1 3 281.742 4.949 50 30 CJEAHM [O-]c1ccc2ccccc2c1C=Nc1ccc(Cl)cc1 ZINC000253618207 256892679 /nfs/dbraw/zinc/89/26/79/256892679.db2.gz DDNKLPBPRNKRFI-UHFFFAOYSA-N -1 3 281.742 4.949 50 30 CJEAHM Cc1ccccc1N=Cc1c([O-])ccc2ccccc21 ZINC000254290745 570368119 /nfs/dbraw/zinc/36/81/19/570368119.db2.gz DHMQBAZAQAXKEX-UHFFFAOYSA-N -1 3 261.324 4.604 50 30 CJEAHM Cc1ccc(N=Cc2c([O-])ccc3ccccc32)c(C)c1 ZINC000254489074 328757664 /nfs/dbraw/zinc/75/76/64/328757664.db2.gz OXXMQKOVIVAAJR-UHFFFAOYSA-N -1 3 275.351 4.913 50 30 CJEAHM Cc1ccc(N=Cc2c([O-])ccc3ccccc32)cc1C ZINC000254566897 567035664 /nfs/dbraw/zinc/03/56/64/567035664.db2.gz OWBGHJAGTCDGDC-UHFFFAOYSA-N -1 3 275.351 4.913 50 30 CJEAHM [O-]c1ccc2ccccc2c1C=Nc1ccccc1Cl ZINC000254705780 328757944 /nfs/dbraw/zinc/75/79/44/328757944.db2.gz CCJOATMTBHIDMK-UHFFFAOYSA-N -1 3 281.742 4.949 50 30 CJEAHM Cc1ccc(C)c(N=Cc2c([O-])ccc3ccccc32)c1 ZINC000254823151 566923590 /nfs/dbraw/zinc/92/35/90/566923590.db2.gz WFTMMDRADYRWGW-UHFFFAOYSA-N -1 3 275.351 4.913 50 30 CJEAHM Cc1cccc(N=Cc2c([O-])ccc3ccccc32)c1 ZINC000257356841 570384266 /nfs/dbraw/zinc/38/42/66/570384266.db2.gz KPOSMMCBBUZMRX-UHFFFAOYSA-N -1 3 261.324 4.604 50 30 CJEAHM