smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [O-]c1ccc(CSCc2ccccc2)c2cccnc12 ZINC000005947166 170160949 /nfs/dbraw/zinc/16/09/49/170160949.db2.gz GHNVKSGWECASHF-UHFFFAOYSA-N -1 3 281.380 4.374 40 0 CIABHM COc1cc(CNc2ccc(C)cc2C)cc(Cl)c1[O-] ZINC000076273896 176967508 /nfs/dbraw/zinc/96/75/08/176967508.db2.gz PYECJAHKSNBJQM-UHFFFAOYSA-N -1 3 291.778 4.283 40 0 CIABHM COc1cc(CNc2cccc(C)c2C)cc(Cl)c1[O-] ZINC000076273823 567890179 /nfs/dbraw/zinc/89/01/79/567890179.db2.gz MUUVRPYRLUCAEY-UHFFFAOYSA-N -1 3 291.778 4.283 40 0 CIABHM CCOc1cc(CNc2ccccc2C)cc(Cl)c1[O-] ZINC000076275271 567890524 /nfs/dbraw/zinc/89/05/24/567890524.db2.gz QPEFWKGPLMFEDC-UHFFFAOYSA-N -1 3 291.778 4.365 40 0 CIABHM Cc1nc(-c2ccccc2[O-])oc1-c1ccc(C)cc1 ZINC000005546388 170111643 /nfs/dbraw/zinc/11/16/43/170111643.db2.gz VCGUPTWRNPUUFJ-UHFFFAOYSA-N -1 3 265.312 4.331 40 0 CIABHM Cc1c(C(=O)[O-])oc2cccc(OCc3ccccc3)c12 ZINC000039002460 174161510 /nfs/dbraw/zinc/16/15/10/174161510.db2.gz KNEMRZPIQXICQF-UHFFFAOYSA-N -1 3 282.295 4.018 40 0 CIABHM O=c1c(Br)c[n-]c2c(Cl)cc(Cl)cc12 ZINC000041702165 566896725 /nfs/dbraw/zinc/89/67/25/566896725.db2.gz ZPJRPRQGACPRGJ-UHFFFAOYSA-N -1 3 292.947 4.010 40 0 CIABHM [O-]c1ccc(-c2cc(F)c(C(F)(F)F)c(F)c2)c(F)c1 ZINC000147167912 567084424 /nfs/dbraw/zinc/08/44/24/567084424.db2.gz OQQDHIWDUFCSTF-UHFFFAOYSA-N -1 3 292.178 4.495 40 0 CIABHM CCc1ccc(NCc2cc(Cl)c([O-])c(OC)c2)cc1 ZINC000076273817 567890227 /nfs/dbraw/zinc/89/02/27/567890227.db2.gz WZQIOZJTTHEQAR-UHFFFAOYSA-N -1 3 291.778 4.229 40 0 CIABHM COc1cc(CNc2ccc(C)c(C)c2)cc(Cl)c1[O-] ZINC000076273813 567890322 /nfs/dbraw/zinc/89/03/22/567890322.db2.gz WAFATOBKURQPGY-UHFFFAOYSA-N -1 3 291.778 4.283 40 0 CIABHM Cc1ccccc1NCc1ccc([O-])c(Br)c1 ZINC000057997918 570310196 /nfs/dbraw/zinc/31/01/96/570310196.db2.gz OCASTSVXNIYGBA-UHFFFAOYSA-N -1 3 292.176 4.075 40 0 CIABHM COc1ccc2cc(Cc3ccccc3)c(=S)[n-]c2c1 ZINC000013534229 566897681 /nfs/dbraw/zinc/89/76/81/566897681.db2.gz BACPIKJTIGSCAM-UHFFFAOYSA-N -1 3 281.380 4.497 40 0 CIABHM O=C(c1ccccc1)N(c1ccccc1)c1ccccc1[O-] ZINC000001705271 567842167 /nfs/dbraw/zinc/84/21/67/567842167.db2.gz VTCXXKFOLLSYCU-UHFFFAOYSA-N -1 3 289.334 4.371 40 0 CIABHM [O-]c1ccc2ccccc2c1-c1nc2cc(Cl)cnc2[nH]1 ZINC000016526033 567873136 /nfs/dbraw/zinc/87/31/36/567873136.db2.gz JWHFTOOFUASTOL-UHFFFAOYSA-N -1 3 295.729 4.137 40 0 CIABHM COc1ccc2cc(-c3ccc([O-])c(C=O)c3)ccc2c1 ZINC000096312821 570359628 /nfs/dbraw/zinc/35/96/28/570359628.db2.gz NHPABSNQFSMEBO-UHFFFAOYSA-N -1 3 278.307 4.034 40 0 CIABHM CCN(CC)c1cc2scc(Cl)c2c([O-])c1 ZINC000228948618 570373326 /nfs/dbraw/zinc/37/33/26/570373326.db2.gz VTVUGJGBIVCVHG-UHFFFAOYSA-N -1 3 255.770 4.107 40 0 CIABHM CCOC(=O)c1cc2sc(-c3ccccc3)cc2[n-]1 ZINC000005000440 170052696 /nfs/dbraw/zinc/05/26/96/170052696.db2.gz ICVAUIORPJTFBU-UHFFFAOYSA-N -1 3 271.341 4.073 40 0 CIABHM CC[C@@H](C)c1ccc2oc(-c3ccc(N)cc3[O-])nc2c1 ZINC000005610890 170119578 /nfs/dbraw/zinc/11/95/78/170119578.db2.gz QAUBQMCNFNMNDS-SNVBAGLBSA-N -1 3 282.343 4.296 40 0 CIABHM S=c1[n-]c2ccccc2cc1Cc1ccccc1 ZINC000005757220 170137445 /nfs/dbraw/zinc/13/74/45/170137445.db2.gz KMFZCDXUPXIHSE-UHFFFAOYSA-N -1 3 251.354 4.488 40 0 CIABHM [O-]c1ccc(Br)cc1C1=CCCCC1 ZINC000062701924 570391720 /nfs/dbraw/zinc/39/17/20/570391720.db2.gz CRFHZNCWLLFADR-UHFFFAOYSA-N -1 3 253.139 4.112 40 0 CIABHM Cc1cc([O-])c(C(=O)CCc2ccccc2)cc1Cl ZINC000005538760 170110473 /nfs/dbraw/zinc/11/04/73/170110473.db2.gz WOWBWYRLQKSCJX-UHFFFAOYSA-N -1 3 274.747 4.170 40 0 CIABHM CCCCCC(=O)c1ccc2ccc(C)nc2c1[O-] ZINC000019681004 170838496 /nfs/dbraw/zinc/83/84/96/170838496.db2.gz PFVAHSBRURYOEA-UHFFFAOYSA-N -1 3 257.333 4.012 40 0 CIABHM CCOC(=O)N([O-])c1ccc(/C=C/c2ccccc2)cc1 ZINC000001703974 567842091 /nfs/dbraw/zinc/84/20/91/567842091.db2.gz BRVVBAZNCCXLPO-CMDGGOBGSA-N -1 3 283.327 4.209 40 0 CIABHM O=C(Nc1ccc(Cl)cc1)Nc1cc(Cl)ccc1[O-] ZINC000001665922 567840592 /nfs/dbraw/zinc/84/05/92/567840592.db2.gz MGVVAWGHSGVJAU-UHFFFAOYSA-N -1 3 297.141 4.343 40 0 CIABHM CCCCOc1ccc(F)c(-c2ccc([O-])c(C=O)c2)c1 ZINC000096312932 567944907 /nfs/dbraw/zinc/94/49/07/567944907.db2.gz APKZKUSMGDCFKZ-UHFFFAOYSA-N -1 3 288.318 4.190 40 0 CIABHM Cc1ccc(NCc2ccc([O-])c(Br)c2)cc1 ZINC000057998002 570310201 /nfs/dbraw/zinc/31/02/01/570310201.db2.gz BPHYTQPLXNDAOS-UHFFFAOYSA-N -1 3 292.176 4.075 40 0 CIABHM COc1cc(Br)c2scc(Cl)c2c1[O-] ZINC000228955265 570372955 /nfs/dbraw/zinc/37/29/55/570372955.db2.gz UTMYQOOGNDUMEU-UHFFFAOYSA-N -1 3 293.569 4.031 40 0 CIABHM CC[C@H](C)c1ccc2oc(-c3ccc(N)cc3[O-])nc2c1 ZINC000005610950 170119549 /nfs/dbraw/zinc/11/95/49/170119549.db2.gz QAUBQMCNFNMNDS-JTQLQIEISA-N -1 3 282.343 4.296 40 0 CIABHM Clc1ccccc1CSc1nnc(-c2ccco2)[n-]1 ZINC000409274347 567935189 /nfs/dbraw/zinc/93/51/89/567935189.db2.gz WESHDJSSWUCMOH-UHFFFAOYSA-N -1 3 291.763 4.010 40 0 CIABHM Clc1ccccc1CSc1nc(-c2ccco2)n[n-]1 ZINC000409274347 567935190 /nfs/dbraw/zinc/93/51/90/567935190.db2.gz WESHDJSSWUCMOH-UHFFFAOYSA-N -1 3 291.763 4.010 40 0 CIABHM Clc1ccccc1CSc1n[n-]c(-c2ccco2)n1 ZINC000409274347 567935191 /nfs/dbraw/zinc/93/51/91/567935191.db2.gz WESHDJSSWUCMOH-UHFFFAOYSA-N -1 3 291.763 4.010 40 0 CIABHM O=Cc1cc(-c2cc(C(F)(F)F)ccc2F)ccc1[O-] ZINC000096312882 570359547 /nfs/dbraw/zinc/35/95/47/570359547.db2.gz HPXDUIKDNGCSDJ-UHFFFAOYSA-N -1 3 284.208 4.030 40 0 CIABHM CCOc1ccc2cc(-c3ccc([O-])c(C=O)c3)ccc2c1 ZINC000096312875 570359625 /nfs/dbraw/zinc/35/96/25/570359625.db2.gz NGGYFDMPLTXQCS-UHFFFAOYSA-N -1 3 292.334 4.424 40 0 CIABHM [O-]C(=NOCc1ccccc1)Nc1cccc2ccccc21 ZINC000006223242 170183731 /nfs/dbraw/zinc/18/37/31/170183731.db2.gz TWNOYEZICFSPGC-UHFFFAOYSA-N -1 3 292.338 4.093 40 0 CIABHM O=C([N-]OCc1ccccc1)Nc1cccc2ccccc21 ZINC000006223242 170183732 /nfs/dbraw/zinc/18/37/32/170183732.db2.gz TWNOYEZICFSPGC-UHFFFAOYSA-N -1 3 292.338 4.093 40 0 CIABHM CCOc1cc(CNc2cccc(C)c2)cc(Cl)c1[O-] ZINC000076275248 326922904 /nfs/dbraw/zinc/92/29/04/326922904.db2.gz VROYFROBZWUTNF-UHFFFAOYSA-N -1 3 291.778 4.365 40 0 CIABHM O=C([O-])c1oc2ccc(Cl)cc2c1OC1CCCC1 ZINC000096510833 567897889 /nfs/dbraw/zinc/89/78/89/567897889.db2.gz NGJGXBAPDFPUDC-UHFFFAOYSA-N -1 3 280.707 4.106 40 0 CIABHM Cc1cc(=S)[n-]c2c(C)cc(Br)cc12 ZINC000095095264 567940817 /nfs/dbraw/zinc/94/08/17/567940817.db2.gz ODQVUQHKLWMTPP-UHFFFAOYSA-N -1 3 268.179 4.277 40 0 CIABHM Cc1nc(-c2ccccc2[O-])oc1-c1ccccc1 ZINC000005537589 170110479 /nfs/dbraw/zinc/11/04/79/170110479.db2.gz SHFPXRYTONIWJE-UHFFFAOYSA-N -1 3 251.285 4.023 40 0 CIABHM O=C(c1ccc(Cl)s1)c1coc2ccc([O-])cc12 ZINC000095094137 567128727 /nfs/dbraw/zinc/12/87/27/567128727.db2.gz WUXGNIUCUHJFDN-UHFFFAOYSA-N -1 3 278.716 4.084 40 0 CIABHM O=Cc1cc(-c2cc(Cl)ccc2Cl)ccc1[O-] ZINC000065342039 567896954 /nfs/dbraw/zinc/89/69/54/567896954.db2.gz PODXNEJTQOYRCU-UHFFFAOYSA-N -1 3 267.111 4.179 40 0 CIABHM Clc1ccc(CSc2nnc(-c3ccco3)[n-]2)cc1 ZINC000409269561 567935045 /nfs/dbraw/zinc/93/50/45/567935045.db2.gz CRJUAKDOLZAFCM-UHFFFAOYSA-N -1 3 291.763 4.010 40 0 CIABHM Clc1ccc(CSc2nc(-c3ccco3)n[n-]2)cc1 ZINC000409269561 567935047 /nfs/dbraw/zinc/93/50/47/567935047.db2.gz CRJUAKDOLZAFCM-UHFFFAOYSA-N -1 3 291.763 4.010 40 0 CIABHM Clc1ccc(CSc2n[n-]c(-c3ccco3)n2)cc1 ZINC000409269561 567935049 /nfs/dbraw/zinc/93/50/49/567935049.db2.gz CRJUAKDOLZAFCM-UHFFFAOYSA-N -1 3 291.763 4.010 40 0 CIABHM S=c1[n-]c(CCC2CCCC2)nc2ccccc21 ZINC000005757272 170137373 /nfs/dbraw/zinc/13/73/73/170137373.db2.gz NHAQDZPGWNFTHD-UHFFFAOYSA-N -1 3 258.390 4.415 40 0 CIABHM [O-]c1ccc2ccccc2c1-c1nc2ccccc2[nH]1 ZINC000038857244 174157887 /nfs/dbraw/zinc/15/78/87/174157887.db2.gz KHBKKJOTFZKPLZ-UHFFFAOYSA-N -1 3 260.296 4.089 40 0 CIABHM [O-]c1ccc(CSc2ccccc2)c2cccnc12 ZINC000000284624 567823990 /nfs/dbraw/zinc/82/39/90/567823990.db2.gz UINKKCFSZHIWED-UHFFFAOYSA-N -1 3 267.353 4.233 40 0 CIABHM CCc1ccccc1NCc1cc(Cl)c([O-])c(OC)c1 ZINC000076273931 567890280 /nfs/dbraw/zinc/89/02/80/567890280.db2.gz DXPQBJMOHRHORX-UHFFFAOYSA-N -1 3 291.778 4.229 40 0 CIABHM O=Cc1cc(-c2cccc(Cl)c2Cl)ccc1[O-] ZINC000065342033 567896707 /nfs/dbraw/zinc/89/67/07/567896707.db2.gz FKPRUBQZCTVEGK-UHFFFAOYSA-N -1 3 267.111 4.179 40 0 CIABHM Cc1cccc(NCc2ccc([O-])c(Br)c2)c1 ZINC000057997994 570310214 /nfs/dbraw/zinc/31/02/14/570310214.db2.gz VXRFWTMTTVTXSZ-UHFFFAOYSA-N -1 3 292.176 4.075 40 0 CIABHM CCOC(=O)N([O-])c1ccc(/C=C\c2ccccc2)cc1 ZINC000004995030 170051894 /nfs/dbraw/zinc/05/18/94/170051894.db2.gz BRVVBAZNCCXLPO-HJWRWDBZSA-N -1 3 283.327 4.209 40 0 CIABHM S=c1[n-]c(-c2ccccc2)nc2ccc(Cl)cc21 ZINC000005604426 170119101 /nfs/dbraw/zinc/11/91/01/170119101.db2.gz NKBWDXARFHPOHF-UHFFFAOYSA-N -1 3 272.760 4.239 40 0 CIABHM CC[C@@H](C)c1ccc2oc(-c3cc(N)ccc3[O-])nc2c1 ZINC000005610887 170119587 /nfs/dbraw/zinc/11/95/87/170119587.db2.gz BDESKZISGMGKRW-SNVBAGLBSA-N -1 3 282.343 4.296 40 0 CIABHM Cc1ccc2nc(C)cc(Nc3cccc(C(=O)[O-])c3)c2c1 ZINC000078401574 177338175 /nfs/dbraw/zinc/33/81/75/177338175.db2.gz ACKVDCYHOOSSIQ-UHFFFAOYSA-N -1 3 292.338 4.293 40 0 CIABHM Cc1nc2c(cc([O-])c3cc(Br)ccc23)s1 ZINC000036533236 567861232 /nfs/dbraw/zinc/86/12/32/567861232.db2.gz DPLMMHJMAWPDSN-UHFFFAOYSA-N -1 3 294.173 4.226 40 0 CIABHM O=Cc1cc(-c2cc(Cl)cc(Cl)c2)ccc1[O-] ZINC000065342044 567896685 /nfs/dbraw/zinc/89/66/85/567896685.db2.gz LLWMHEGWCSVRSH-UHFFFAOYSA-N -1 3 267.111 4.179 40 0 CIABHM CCn1c(-c2ccccc2)csc1=Nc1ccc([O-])cc1 ZINC000254747326 567897184 /nfs/dbraw/zinc/89/71/84/567897184.db2.gz YNZARILPIGCNMM-UHFFFAOYSA-N -1 3 296.395 4.175 40 0 CIABHM CC[C@H](C)c1ccc2oc(-c3cc(N)ccc3[O-])nc2c1 ZINC000005610946 170119338 /nfs/dbraw/zinc/11/93/38/170119338.db2.gz BDESKZISGMGKRW-JTQLQIEISA-N -1 3 282.343 4.296 40 0 CIABHM Cc1noc([N-]C(=O)Nc2ccccc2)c1-c1ccccc1 ZINC000020636205 171268386 /nfs/dbraw/zinc/26/83/86/171268386.db2.gz YGUYEDLBYGVZAK-UHFFFAOYSA-N -1 3 293.326 4.294 40 0 CIABHM Cc1cc(C)c2c(c1)nccc2Nc1ccccc1C(=O)[O-] ZINC000078401434 177337905 /nfs/dbraw/zinc/33/79/05/177337905.db2.gz RQUYTNPWQICTKD-UHFFFAOYSA-N -1 3 292.338 4.293 40 0 CIABHM Cc1ccc(CSc2nnc(-c3ccc([O-])cc3)o2)cc1 ZINC000000411258 566965035 /nfs/dbraw/zinc/96/50/35/566965035.db2.gz SJQANUHLOHZNFL-UHFFFAOYSA-N -1 3 298.367 4.043 40 0 CIABHM CC1(C)C=Cc2c(ccc(C(=O)Cc3ccccc3)c2[O-])O1 ZINC000001608500 567839212 /nfs/dbraw/zinc/83/92/12/567839212.db2.gz MEKHIYITZDCFCS-UHFFFAOYSA-N -1 3 294.350 4.002 40 0 CIABHM CCOc1cc(CNc2ccc(C)cc2)cc(Cl)c1[O-] ZINC000076275261 567890560 /nfs/dbraw/zinc/89/05/60/567890560.db2.gz DOYHJRGXSZYOLX-UHFFFAOYSA-N -1 3 291.778 4.365 40 0 CIABHM O=Cc1cc(-c2ccc(Cl)cc2Cl)ccc1[O-] ZINC000065342036 567896821 /nfs/dbraw/zinc/89/68/21/567896821.db2.gz QGRQJSBUCIVYNK-UHFFFAOYSA-N -1 3 267.111 4.179 40 0 CIABHM Cc1ccc(C(=O)Nc2c(C)cc([O-])c(Cl)c2C)cc1 ZINC000016779953 570353377 /nfs/dbraw/zinc/35/33/77/570353377.db2.gz CHISSQVESCEKBA-UHFFFAOYSA-N -1 3 289.762 4.223 40 0 CIABHM CCC(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000020158374 171039780 /nfs/dbraw/zinc/03/97/80/171039780.db2.gz MQHNHHDQWUMCJP-UHFFFAOYSA-N -1 3 298.367 4.017 40 0 CIABHM CC(C)(C)c1cc(C=O)c([O-])c(-c2ccccc2)c1 ZINC000044138508 175146558 /nfs/dbraw/zinc/14/65/58/175146558.db2.gz RIYMWSKWFKVLIP-UHFFFAOYSA-N -1 3 254.329 4.169 40 0 CIABHM CC(C)(C)c1ccc(-c2ccc([O-])c(C=O)c2)cc1 ZINC000016946480 567030689 /nfs/dbraw/zinc/03/06/89/567030689.db2.gz UIKLXIKQOHIZGQ-UHFFFAOYSA-N -1 3 254.329 4.169 40 0 CIABHM Cc1ccc(C(C)(C)c2ccc(C)cc2O)c([O-])c1 ZINC000001700184 567841663 /nfs/dbraw/zinc/84/16/63/567841663.db2.gz XINVUYYYXVLBFF-UHFFFAOYSA-N -1 3 256.345 4.041 40 0 CIABHM O=Cc1cc(-c2ccc(C(F)(F)F)cc2F)ccc1[O-] ZINC000096312902 567894376 /nfs/dbraw/zinc/89/43/76/567894376.db2.gz QXHZIMKDWZPBRJ-UHFFFAOYSA-N -1 3 284.208 4.030 40 0 CIABHM CCCCC(=O)c1cccc(-c2ccccc2)c1[O-] ZINC000069593741 570247405 /nfs/dbraw/zinc/24/74/05/570247405.db2.gz LWTUMMGTUVAAEF-UHFFFAOYSA-N -1 3 254.329 4.432 40 0 CIABHM CSc1ccccc1[N-]C(=O)c1ccc(F)c(F)c1F ZINC000028210936 570314615 /nfs/dbraw/zinc/31/46/15/570314615.db2.gz TVGBDQXXBFISJU-UHFFFAOYSA-N -1 3 297.301 4.078 40 0 CIABHM O=Cc1cc(-c2ccc(Cl)c(Cl)c2)ccc1[O-] ZINC000021950555 171339479 /nfs/dbraw/zinc/33/94/79/171339479.db2.gz XMCPDHHRVFKSIO-UHFFFAOYSA-N -1 3 267.111 4.179 40 0 CIABHM [O-]c1ccc(-c2noc(-c3cccc4ccccc43)n2)cc1 ZINC000064875716 567111431 /nfs/dbraw/zinc/11/14/31/567111431.db2.gz XHMGADCUFCSZPE-UHFFFAOYSA-N -1 3 288.306 4.262 40 0 CIABHM [O-]c1ccc(OC(F)(F)F)c2scc(Cl)c21 ZINC000228928060 570372934 /nfs/dbraw/zinc/37/29/34/570372934.db2.gz ILLJKBOFKIMGEE-UHFFFAOYSA-N -1 3 268.643 4.159 40 0 CIABHM CC(=O)c1cc2c(cc1[O-])oc1c2c(C)ccc1C ZINC000005430646 170098487 /nfs/dbraw/zinc/09/84/87/170098487.db2.gz WSSVACUQZZCDCW-UHFFFAOYSA-N -1 3 254.285 4.111 40 0 CIABHM Nc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)c([O-])c1 ZINC000008703363 170347883 /nfs/dbraw/zinc/34/78/83/170347883.db2.gz IQZSKEOAOSGHKA-UHFFFAOYSA-N -1 3 295.125 4.089 40 0 CIABHM COc1cc(CNc2cc(C)ccc2C)cc(Cl)c1[O-] ZINC000076273822 567890190 /nfs/dbraw/zinc/89/01/90/567890190.db2.gz NRKJSTCYMCPHDQ-UHFFFAOYSA-N -1 3 291.778 4.283 40 0 CIABHM CCOc1cc(CNc2ccccc2)cc(Cl)c1[O-] ZINC000076275244 567890549 /nfs/dbraw/zinc/89/05/49/567890549.db2.gz TXJJPWXYJCEINX-UHFFFAOYSA-N -1 3 277.751 4.056 40 0 CIABHM Cc1ccc(N/C=C(\[O-])c2cc3ccccc3oc2=O)cc1 ZINC000101174664 567914714 /nfs/dbraw/zinc/91/47/14/567914714.db2.gz BDFBTHDSSAOSRI-WJDWOHSUSA-N -1 3 293.322 4.070 40 0 CIABHM CC(C)Cc1ccc(-c2ccc([O-])c(C=O)c2)cc1 ZINC000096312819 570359621 /nfs/dbraw/zinc/35/96/21/570359621.db2.gz SGKJTDRSVAQRJO-UHFFFAOYSA-N -1 3 254.329 4.070 40 0 CIABHM CCOc1ccc2ccccc2c1-c1ccc([O-])c(C=O)c1 ZINC000096312812 570359633 /nfs/dbraw/zinc/35/96/33/570359633.db2.gz JODGZQFVTVHHJX-UHFFFAOYSA-N -1 3 292.334 4.424 40 0 CIABHM O=Cc1cc(-c2c(Cl)cccc2Cl)ccc1[O-] ZINC000096312913 570359638 /nfs/dbraw/zinc/35/96/38/570359638.db2.gz XTBSDAPEEWXDSZ-UHFFFAOYSA-N -1 3 267.111 4.179 40 0 CIABHM [O-]c1ccc(-c2nnc(SCC3CCCCC3)o2)cc1 ZINC000013126447 170534544 /nfs/dbraw/zinc/53/45/44/170534544.db2.gz LRDNGSXVYASVJI-UHFFFAOYSA-N -1 3 290.388 4.115 40 0 CIABHM Cc1cccc(N([O-])C(=O)Nc2cccc(Cl)c2)c1 ZINC000000365852 567929823 /nfs/dbraw/zinc/92/98/23/567929823.db2.gz ZELQHKSGBZLFIZ-UHFFFAOYSA-N -1 3 276.723 4.076 40 0 CIABHM