smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1c(CNCc2c([O-])ccc(Cl)c2F)nc2ccccc21 ZINC000191492780 1095020186 /nfs/dbraw/zinc/02/01/86/1095020186.db2.gz ITDPXXDFIMTKIA-UHFFFAOYSA-N -1 3 319.767 3.361 10 0 DGAEHM C[C@H](O)C[C@@H]1CCCCN1C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000279625806 215014518 /nfs/dbraw/zinc/01/45/18/215014518.db2.gz IEGRUGXVNQLKFU-BBRMVZONSA-N -1 3 317.429 3.037 10 0 DGAEHM CCc1ccc([O-])c(C(=O)N2CCC[C@@H](c3nccs3)C2)c1 ZINC000104117531 432014916 /nfs/dbraw/zinc/01/49/16/432014916.db2.gz UVRADOIHWANTJY-CYBMUJFWSA-N -1 3 316.426 3.431 10 0 DGAEHM COC(=O)c1coc(C(=O)[N-]c2c(F)cccc2NC2CC2)c1 ZINC000183833513 186222576 /nfs/dbraw/zinc/22/25/76/186222576.db2.gz UJXMOBBVRYIFIE-UHFFFAOYSA-N -1 3 318.304 3.032 10 0 DGAEHM Cn1c2ccncc2nc1-c1cc(Br)ccc1[O-] ZINC000001294204 180853591 /nfs/dbraw/zinc/85/35/91/180853591.db2.gz ZUMFNHZZRSOIHY-UHFFFAOYSA-N -1 3 304.147 3.103 10 0 DGAEHM C[C@H]1CCN(C(=O)c2ccc(O)cc2[O-])[C@@H]1c1cccc(F)c1 ZINC000179532892 199051414 /nfs/dbraw/zinc/05/14/14/199051414.db2.gz JFFKKEPIRSCLGO-GTNSWQLSSA-N -1 3 315.344 3.460 10 0 DGAEHM CCC[C@H](C)NC(=O)[C@@H]1CCCN(Cc2cc([O-])cc(F)c2)C1 ZINC000186203306 199927879 /nfs/dbraw/zinc/92/78/79/199927879.db2.gz LXROXGNAIMWZBS-DZGCQCFKSA-N -1 3 322.424 3.048 10 0 DGAEHM Cc1cc(=O)[n-]c([C@@H](C)Sc2ccc(C(F)(F)F)nn2)n1 ZINC000186925068 200032076 /nfs/dbraw/zinc/03/20/76/200032076.db2.gz BPAZKCQUGCTBDK-SSDOTTSWSA-N -1 3 316.308 3.153 10 0 DGAEHM Cc1nc([C@H]2CCCN2C(=O)c2cc(C)ccc2[O-])cs1 ZINC000187014393 200047973 /nfs/dbraw/zinc/04/79/73/200047973.db2.gz PPZSTMYTPQNAHL-CQSZACIVSA-N -1 3 302.399 3.443 10 0 DGAEHM Cn1cc(C(=O)Nc2cc(F)ccc2[O-])c2cc(F)ccc21 ZINC000435801920 238356446 /nfs/dbraw/zinc/35/64/46/238356446.db2.gz WQVTXKVVXPMPMD-UHFFFAOYSA-N -1 3 302.280 3.414 10 0 DGAEHM COc1cccc(C(=O)N(C)[C@@H](C)c2ccccc2F)c1[O-] ZINC000078261236 283860294 /nfs/dbraw/zinc/86/02/94/283860294.db2.gz HAQHOBNBVHLSCC-NSHDSACASA-N -1 3 303.333 3.373 10 0 DGAEHM CC1(C)CC[C@H](CNCc2cccc([O-])c2Br)O1 ZINC000459491393 243387915 /nfs/dbraw/zinc/38/79/15/243387915.db2.gz LXMHWPQSEJOZMN-LLVKDONJSA-N -1 3 314.223 3.202 10 0 DGAEHM O=C(Nc1ccc2cc[nH]c2c1)c1c[n-]c2ccccc2c1=O ZINC000113739959 284104244 /nfs/dbraw/zinc/10/42/44/284104244.db2.gz XPRGZRFECLBYKZ-UHFFFAOYSA-N -1 3 303.321 3.262 10 0 DGAEHM O=C(Nc1ccc2cc[nH]c2c1)c1cnc2ccccc2c1[O-] ZINC000113739959 284104248 /nfs/dbraw/zinc/10/42/48/284104248.db2.gz XPRGZRFECLBYKZ-UHFFFAOYSA-N -1 3 303.321 3.262 10 0 DGAEHM CCCC[C@@H](CC)CC(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000473938308 244356851 /nfs/dbraw/zinc/35/68/51/244356851.db2.gz FDMYQWTZIMANLC-CYBMUJFWSA-N -1 3 315.421 3.336 10 0 DGAEHM CCCC[C@@H](CC)CC(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000473938308 244356857 /nfs/dbraw/zinc/35/68/57/244356857.db2.gz FDMYQWTZIMANLC-CYBMUJFWSA-N -1 3 315.421 3.336 10 0 DGAEHM CC[C@H]([N-]S(=O)(=O)c1cccc(C)c1F)c1nccs1 ZINC000181303095 432121674 /nfs/dbraw/zinc/12/16/74/432121674.db2.gz JMFROHUGORPICO-JTQLQIEISA-N -1 3 314.407 3.020 10 0 DGAEHM CO[C@@H](C)c1nc(C)c(C(=O)Nc2cccc([O-])c2F)s1 ZINC000129381698 284407879 /nfs/dbraw/zinc/40/78/79/284407879.db2.gz VTDPOMJQROKWHK-QMMMGPOBSA-N -1 3 310.350 3.256 10 0 DGAEHM Cc1ccc([C@@H](C)Nc2cccc3c(=O)[n-][nH]c(=O)c23)s1 ZINC000020009107 182176695 /nfs/dbraw/zinc/17/66/95/182176695.db2.gz JDQBLUHHEOGITO-SECBINFHSA-N -1 3 301.371 3.172 10 0 DGAEHM CCCCOc1ccc(C(=O)N2CCS[C@@H](C)C2)c([O-])c1 ZINC000190298962 432142053 /nfs/dbraw/zinc/14/20/53/432142053.db2.gz LWBHREHYJVRPDU-LBPRGKRZSA-N -1 3 309.431 3.149 10 0 DGAEHM Cc1c(Cl)ccc2c(=O)c(C(=O)NCc3ccco3)c[n-]c12 ZINC000040359353 183056788 /nfs/dbraw/zinc/05/67/88/183056788.db2.gz MILHQWUTWJXWKV-UHFFFAOYSA-N -1 3 316.744 3.013 10 0 DGAEHM COc1ccccc1Nc1ncnc([N-]c2nccs2)c1N ZINC000040780787 183133263 /nfs/dbraw/zinc/13/32/63/183133263.db2.gz NGHAOKZSHMMRAE-UHFFFAOYSA-N -1 3 314.374 3.011 10 0 DGAEHM COc1cccc(C(=O)Nc2cnn(-c3ccccc3)c2C)c1[O-] ZINC000153387427 284669540 /nfs/dbraw/zinc/66/95/40/284669540.db2.gz XPHUWKKVDOKXHF-UHFFFAOYSA-N -1 3 323.352 3.147 10 0 DGAEHM Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1cccc(C)c1[O-] ZINC000105882185 194155039 /nfs/dbraw/zinc/15/50/39/194155039.db2.gz JGBXXMBSVPUMEI-OAHLLOKOSA-N -1 3 313.401 3.028 10 0 DGAEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc(F)cc3)cc2)n1 ZINC000064343151 184294847 /nfs/dbraw/zinc/29/48/47/184294847.db2.gz HBHDDMSMVVXIAV-UHFFFAOYSA-N -1 3 323.327 3.137 10 0 DGAEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C[C@@H]3C=CCC3)cc2)n1 ZINC000064342580 184295074 /nfs/dbraw/zinc/29/50/74/184295074.db2.gz LIMLXRKUXPTJHT-CYBMUJFWSA-N -1 3 309.369 3.040 10 0 DGAEHM O=Cc1cccc(-c2ccc(C(=O)N3CCCCC3)cc2)c1[O-] ZINC000065342208 184325307 /nfs/dbraw/zinc/32/53/07/184325307.db2.gz DCASNMCTXPDLRI-UHFFFAOYSA-N -1 3 309.365 3.498 10 0 DGAEHM O=S(=O)([N-]c1ccc(F)cc1F)c1cccc2ncccc21 ZINC000120006026 195078542 /nfs/dbraw/zinc/07/85/42/195078542.db2.gz IAPGNTMBVVHWTF-UHFFFAOYSA-N -1 3 320.320 3.314 10 0 DGAEHM O=C(Nc1ccc([O-])cc1F)c1c[nH]nc1-c1ccc(F)cc1 ZINC000121841340 195358923 /nfs/dbraw/zinc/35/89/23/195358923.db2.gz OCUUOBXIDGJQJS-UHFFFAOYSA-N -1 3 315.279 3.313 10 0 DGAEHM COc1ccc2nc(C(=O)Nc3cc(F)ccc3[O-])ccc2c1 ZINC000179651535 533345390 /nfs/dbraw/zinc/34/53/90/533345390.db2.gz UGOOGWPCPGXIBC-UHFFFAOYSA-N -1 3 312.300 3.340 10 0 DGAEHM O=C([O-])c1ccc([C@H]2COCCCN2Cc2ccccc2)cc1 ZINC000616647465 400192527 /nfs/dbraw/zinc/19/25/27/400192527.db2.gz LPRWNHUKCFVOJZ-GOSISDBHSA-N -1 3 311.381 3.348 10 0 DGAEHM CC(=O)c1ccc(C(=O)N[C@@H]2Cc3ccccc3[C@@H]2C)cc1[O-] ZINC000618057225 400518081 /nfs/dbraw/zinc/51/80/81/400518081.db2.gz KFZKNZNVDQTUDM-APPDUMDISA-N -1 3 309.365 3.053 10 0 DGAEHM CCC1CCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)CC1 ZINC000053376953 400779431 /nfs/dbraw/zinc/77/94/31/400779431.db2.gz VXTQPDJUHHQAIJ-UHFFFAOYSA-N -1 3 311.385 3.291 10 0 DGAEHM O=S(=O)([N-]CCCC1CC1)c1cc(Cl)cc(Cl)c1 ZINC000605587998 400877718 /nfs/dbraw/zinc/87/77/18/400877718.db2.gz AIQSQTMMDIBZCO-UHFFFAOYSA-N -1 3 308.230 3.462 10 0 DGAEHM S=c1[n-]c([C@H]2CSCCS2)ncc1Br ZINC000236572832 400977727 /nfs/dbraw/zinc/97/77/27/400977727.db2.gz QWMBOPCOWAMJRG-ZCFIWIBFSA-N -1 3 309.279 3.049 10 0 DGAEHM O=C(NC[C@H]1CCCC12CC2)c1cc([O-])cc(Br)c1 ZINC000629828386 401094096 /nfs/dbraw/zinc/09/40/96/401094096.db2.gz WKFCQMXZRFMPNP-LLVKDONJSA-N -1 3 324.218 3.465 10 0 DGAEHM Cc1cccc([O-])c1C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000626122807 401305374 /nfs/dbraw/zinc/30/53/74/401305374.db2.gz LSWJRVSVBDCOBK-QGZVFWFLSA-N -1 3 324.424 3.047 10 0 DGAEHM CSCCCC[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC000187986226 165109286 /nfs/dbraw/zinc/10/92/86/165109286.db2.gz UUIGNPUGIQBTDS-UHFFFAOYSA-N -1 3 313.897 3.131 10 0 DGAEHM O=C(c1cc([O-])c2ccccc2c1)N1CCOC[C@H]1c1ccco1 ZINC000365097917 287096689 /nfs/dbraw/zinc/09/66/89/287096689.db2.gz GTRIJQSJMVMYKX-INIZCTEOSA-N -1 3 323.348 3.352 10 0 DGAEHM Cc1cc(Cl)cc(NC(=O)[C@@H]2CCCc3n[nH]cc32)c1[O-] ZINC000136899934 432164881 /nfs/dbraw/zinc/16/48/81/432164881.db2.gz MGFSEWWXLGASLM-SNVBAGLBSA-N -1 3 305.765 3.136 10 0 DGAEHM Cc1cc(Cl)cc(NC(=O)[C@H]2CCCc3n[nH]cc32)c1[O-] ZINC000136899981 432165792 /nfs/dbraw/zinc/16/57/92/432165792.db2.gz MGFSEWWXLGASLM-JTQLQIEISA-N -1 3 305.765 3.136 10 0 DGAEHM Cc1csc([C@@H]2CCCN(C(=O)c3cccc([O-])c3)C2)n1 ZINC000182522746 432198826 /nfs/dbraw/zinc/19/88/26/432198826.db2.gz ARCGYVYZPWSCPJ-CYBMUJFWSA-N -1 3 302.399 3.177 10 0 DGAEHM CCO[C@@H](C)c1nc(CN(C)C(=O)c2cccc([O-])c2)cs1 ZINC000182519532 432199171 /nfs/dbraw/zinc/19/91/71/432199171.db2.gz RKNWXAFVSZFWOC-NSHDSACASA-N -1 3 320.414 3.218 10 0 DGAEHM C[C@@H]1CN(Cc2cc([O-])ccc2Br)CCS1 ZINC000131399854 196164637 /nfs/dbraw/zinc/16/46/37/196164637.db2.gz UNPHHIAAVWTLSL-SECBINFHSA-N -1 3 302.237 3.092 10 0 DGAEHM CC(=O)c1ccc(C(=O)N2CC[C@]3(CC[C@@H](C)C3)C2)cc1[O-] ZINC000408466262 277108728 /nfs/dbraw/zinc/10/87/28/277108728.db2.gz KZZFSSWBNTWTJL-XIKOKIGWSA-N -1 3 301.386 3.247 10 0 DGAEHM COc1ccc(O)cc1C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000189158901 277918289 /nfs/dbraw/zinc/91/82/89/277918289.db2.gz AVXKYVWEPNLFMT-LLVKDONJSA-N -1 3 313.353 3.260 10 0 DGAEHM Cc1[nH]c2c(C(=O)[O-])cccc2c(=O)c1CN1CCCC[C@@H]1C ZINC000008713927 431406356 /nfs/dbraw/zinc/40/63/56/431406356.db2.gz GFPWOKBJYFGUDE-NSHDSACASA-N -1 3 314.385 3.321 10 0 DGAEHM CCN(C(=O)c1ccc(OC)cc1[O-])[C@@H](C)c1cccnc1 ZINC000115229008 431439978 /nfs/dbraw/zinc/43/99/78/431439978.db2.gz ZQUSHFBPMOUDME-LBPRGKRZSA-N -1 3 300.358 3.019 10 0 DGAEHM Cc1nccn1-c1ccc([C@@H](C)NC(=O)c2ccccc2[O-])cc1 ZINC000080595677 431773328 /nfs/dbraw/zinc/77/33/28/431773328.db2.gz LYCBXCZVVITIEC-CYBMUJFWSA-N -1 3 321.380 3.377 10 0 DGAEHM CCOC(=O)c1cc([O-])c2c(c1)c(OC)cc(Cl)c2OC ZINC000038296246 431854977 /nfs/dbraw/zinc/85/49/77/431854977.db2.gz AJGWUAPUTKJZAS-UHFFFAOYSA-N -1 3 310.733 3.393 10 0 DGAEHM CC[C@@H](Oc1ccccc1)c1nc2c(n[nH]c2C(C)C)c(=O)[n-]1 ZINC000089212183 431861039 /nfs/dbraw/zinc/86/10/39/431861039.db2.gz ZXPXSKVQQXEKBO-GFCCVEGCSA-N -1 3 312.373 3.300 10 0 DGAEHM CCc1oc(C(=O)[N-]c2nnc(-c3ccccn3)s2)cc1C ZINC000124246664 431886959 /nfs/dbraw/zinc/88/69/59/431886959.db2.gz QYRFKWGCMVRVIA-UHFFFAOYSA-N -1 3 314.370 3.316 10 0 DGAEHM O=C([O-])C[C@@H]1CCCN(Cc2ccc(Br)cc2)C1 ZINC000054299103 431969964 /nfs/dbraw/zinc/96/99/64/431969964.db2.gz YGKHCUWRZQHHCC-LBPRGKRZSA-N -1 3 312.207 3.136 10 0 DGAEHM O=C([O-])C[C@H]1CCCN(Cc2ccc(Br)cc2)C1 ZINC000054299100 431970138 /nfs/dbraw/zinc/97/01/38/431970138.db2.gz YGKHCUWRZQHHCC-GFCCVEGCSA-N -1 3 312.207 3.136 10 0 DGAEHM Cc1ccc([O-])c(C(=O)N(C[C@H]2CCCO2)C2CCCC2)c1 ZINC000174539973 432355071 /nfs/dbraw/zinc/35/50/71/432355071.db2.gz VNJZEGLEQGLUPG-OAHLLOKOSA-N -1 3 303.402 3.264 10 0 DGAEHM COc1ccc([C@@H]2CCN([C@@H](C)c3nc(C)cc(=O)[n-]3)C2)cc1 ZINC000248736283 432314187 /nfs/dbraw/zinc/31/41/87/432314187.db2.gz KXIZZASPXDRIIY-DZGCQCFKSA-N -1 3 313.401 3.050 10 0 DGAEHM Cc1nn(C(C)(C)C)cc1[C@@H](C)[N-]C(=O)C(F)(F)C(F)F ZINC000184360448 432383329 /nfs/dbraw/zinc/38/33/29/432383329.db2.gz KZXSZSORRGTITE-SSDOTTSWSA-N -1 3 309.307 3.024 10 0 DGAEHM CO[C@@H](C)c1nc(C)c(C(=O)Nc2cc(F)ccc2[O-])s1 ZINC000175424177 432436009 /nfs/dbraw/zinc/43/60/09/432436009.db2.gz NIQQSSWQAFVPJA-QMMMGPOBSA-N -1 3 310.350 3.256 10 0 DGAEHM COc1cccc(C)c1NCc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000194570331 432561705 /nfs/dbraw/zinc/56/17/05/432561705.db2.gz QZICLCXXGBLOHF-UHFFFAOYSA-N -1 3 313.279 3.130 10 0 DGAEHM COc1ccc2c(c1)CCN2C(=O)c1cc(-c2ccc(C)o2)[n-]n1 ZINC000194958863 432588747 /nfs/dbraw/zinc/58/87/47/432588747.db2.gz ZIWUMDXHBBHNCY-UHFFFAOYSA-N -1 3 323.352 3.190 10 0 DGAEHM COc1ccc2c(c1)CCN2C(=O)c1cc(-c2ccc(C)o2)n[n-]1 ZINC000194958863 432588749 /nfs/dbraw/zinc/58/87/49/432588749.db2.gz ZIWUMDXHBBHNCY-UHFFFAOYSA-N -1 3 323.352 3.190 10 0 DGAEHM O=S(=O)([N-]CCC1=CCCC1)c1ccccc1C(F)(F)F ZINC000159117450 432669931 /nfs/dbraw/zinc/66/99/31/432669931.db2.gz ZCQACZSWYZIUBB-UHFFFAOYSA-N -1 3 319.348 3.484 10 0 DGAEHM O=C(Nc1nnc(-c2ccco2)[n-]1)[C@H]1C[C@@H]1C1CCCCC1 ZINC000163521983 432854743 /nfs/dbraw/zinc/85/47/43/432854743.db2.gz UEYRMFCUYVETOV-NEPJUHHUSA-N -1 3 300.362 3.220 10 0 DGAEHM O=C(Nc1nc(-c2ccco2)n[n-]1)[C@H]1C[C@@H]1C1CCCCC1 ZINC000163521983 432854747 /nfs/dbraw/zinc/85/47/47/432854747.db2.gz UEYRMFCUYVETOV-NEPJUHHUSA-N -1 3 300.362 3.220 10 0 DGAEHM O=C(Nc1n[n-]c(-c2ccco2)n1)[C@H]1C[C@@H]1C1CCCCC1 ZINC000163521983 432854749 /nfs/dbraw/zinc/85/47/49/432854749.db2.gz UEYRMFCUYVETOV-NEPJUHHUSA-N -1 3 300.362 3.220 10 0 DGAEHM C[C@@H]1[C@H](C)SCCN1C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000182732937 289027131 /nfs/dbraw/zinc/02/71/31/289027131.db2.gz PBSJMXWAWWJOOF-NEPJUHHUSA-N -1 3 305.443 3.237 10 0 DGAEHM C[C@H]1CCCCCN1C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000408150193 290370651 /nfs/dbraw/zinc/37/06/51/290370651.db2.gz PEJXRBKTOUNWJU-JTQLQIEISA-N -1 3 320.339 3.211 10 0 DGAEHM CCSCc1ccc(NC(=O)c2c[n-]c(C(=O)OC)c2)cc1 ZINC000456507088 433697902 /nfs/dbraw/zinc/69/79/02/433697902.db2.gz WJNZHZSBHRNBOV-UHFFFAOYSA-N -1 3 318.398 3.307 10 0 DGAEHM CC(=O)c1ccc2c(c1)CCN(C(=O)c1cc(C)ccc1[O-])CC2 ZINC000372279871 293230221 /nfs/dbraw/zinc/23/02/21/293230221.db2.gz BRINZVDVCPSJOK-UHFFFAOYSA-N -1 3 323.392 3.144 10 0 DGAEHM C[C@H]1CN(C(=O)c2cccc([O-])c2)[C@@H](C)CN1Cc1ccccc1 ZINC000357250730 433927976 /nfs/dbraw/zinc/92/79/76/433927976.db2.gz BMCPUYHNJTXLPZ-HOTGVXAUSA-N -1 3 324.424 3.127 10 0 DGAEHM CC(C)(C)c1ccccc1OCCNC(=O)c1cccc([O-])c1 ZINC000509140636 294341074 /nfs/dbraw/zinc/34/10/74/294341074.db2.gz RLIDYTXDSRILIZ-UHFFFAOYSA-N -1 3 313.397 3.499 10 0 DGAEHM C[C@@H]1CC[C@H](C)N(C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)C1 ZINC000408152237 434544549 /nfs/dbraw/zinc/54/45/49/434544549.db2.gz XYUMINURCMKYKZ-ZJUUUORDSA-N -1 3 320.339 3.067 10 0 DGAEHM Cc1[nH]c2c(cccc2C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)c1C ZINC000525967206 295045890 /nfs/dbraw/zinc/04/58/90/295045890.db2.gz VUMDPQAETKTQRS-OAHLLOKOSA-N -1 3 324.384 3.034 10 0 DGAEHM CCc1cccc(C(=O)N2CC[C@H](C(F)(F)F)[C@@H]2C)c1[O-] ZINC000527473837 295098083 /nfs/dbraw/zinc/09/80/83/295098083.db2.gz KBLBSZRIVDHFBH-CABZTGNLSA-N -1 3 301.308 3.368 10 0 DGAEHM CC1(C)CCCC[C@@H]1CC(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000527499489 295099068 /nfs/dbraw/zinc/09/90/68/295099068.db2.gz HPWALBSPVPVPGQ-OCCSQVGLSA-N -1 3 305.422 3.228 10 0 DGAEHM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NCc1cccc([O-])c1Br ZINC000527805641 295133523 /nfs/dbraw/zinc/13/35/23/295133523.db2.gz VEPXXGQFBKXJNP-PUXPGTEJSA-N -1 3 314.223 3.056 10 0 DGAEHM COc1cccc(C(=O)N2CCCC[C@H]2c2nccs2)c1[O-] ZINC000173381417 295284010 /nfs/dbraw/zinc/28/40/10/295284010.db2.gz PMOGHCXCIOTHMB-LBPRGKRZSA-N -1 3 318.398 3.225 10 0 DGAEHM CC(=O)c1ccsc1[N-]C(=O)c1coc(C2CCOCC2)n1 ZINC000410895306 434688412 /nfs/dbraw/zinc/68/84/12/434688412.db2.gz IENDVJXCVDMSFC-UHFFFAOYSA-N -1 3 320.370 3.085 10 0 DGAEHM CCc1cccc(C(=O)Nc2ccc(N3CCCC3)nc2)c1[O-] ZINC000531117218 435073227 /nfs/dbraw/zinc/07/32/27/435073227.db2.gz DWKORNRIXQUIGC-UHFFFAOYSA-N -1 3 311.385 3.202 10 0 DGAEHM Cc1c(Br)ccc(C(=O)[N-]c2nncs2)c1F ZINC000569312453 435523250 /nfs/dbraw/zinc/52/32/50/435523250.db2.gz KUFDNBWYKDHYLJ-UHFFFAOYSA-N -1 3 316.155 3.000 10 0 DGAEHM C[C@@]1(C(=O)NCc2ccc([O-])c(F)c2)CCCc2ccccc21 ZINC000132673405 312648315 /nfs/dbraw/zinc/64/83/15/312648315.db2.gz FJYUTNUQMCASGF-LJQANCHMSA-N -1 3 313.372 3.442 10 0 DGAEHM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1Cc1cn2cc(Cl)ccc2n1 ZINC000530180446 313335206 /nfs/dbraw/zinc/33/52/06/313335206.db2.gz ZWHMIKAIYGUSBO-GHMZBOCLSA-N -1 3 321.808 3.061 10 0 DGAEHM CCc1cccc(C(=O)N2CCCC[C@@H]2c2ccnn2C)c1[O-] ZINC000545991789 314282596 /nfs/dbraw/zinc/28/25/96/314282596.db2.gz BVFWVTHVXLJUFA-MRXNPFEDSA-N -1 3 313.401 3.056 10 0 DGAEHM Cc1cc(=O)[n-]c([C@H](C)N(C)Cc2ccc(F)cc2Cl)n1 ZINC000192581044 323455584 /nfs/dbraw/zinc/45/55/84/323455584.db2.gz NKDCBOHKMSSJPT-JTQLQIEISA-N -1 3 309.772 3.476 10 0 DGAEHM CC(=O)c1c(C)cc(C)c(CN2CC[C@H](C)[C@@H](C(=O)[O-])C2)c1C ZINC000580893380 324049977 /nfs/dbraw/zinc/04/99/77/324049977.db2.gz XBUHIZYCDYDOOE-GTNSWQLSSA-N -1 3 317.429 3.357 10 0 DGAEHM c1oc(C2CCCC2)nc1-c1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000583000084 324299829 /nfs/dbraw/zinc/29/98/29/324299829.db2.gz LJLKNGLJRUTUFG-UHFFFAOYSA-N -1 3 322.328 3.321 10 0 DGAEHM CC(=O)c1ccc(NC(=O)c2cnc(Cl)cc2C)c([O-])c1 ZINC000584632979 337377310 /nfs/dbraw/zinc/37/73/10/337377310.db2.gz TYYMKDTZFVHTMA-UHFFFAOYSA-N -1 3 304.733 3.204 10 0 DGAEHM CC[C@@H]1CCCCCN1C(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000163565651 529267799 /nfs/dbraw/zinc/26/77/99/529267799.db2.gz PMMBZOILRADMBF-CYBMUJFWSA-N -1 3 307.390 3.204 10 0 DGAEHM C[C@H](NC(=O)c1cccc2nn[n-]c21)c1cccc(Cl)c1 ZINC000182666953 546167180 /nfs/dbraw/zinc/16/71/80/546167180.db2.gz WSHGRGMUMYWQCP-VIFPVBQESA-N -1 3 300.749 3.102 10 0 DGAEHM C[C@H](NC(=O)c1cccc2[n-]nnc21)c1cccc(Cl)c1 ZINC000182666953 546167187 /nfs/dbraw/zinc/16/71/87/546167187.db2.gz WSHGRGMUMYWQCP-VIFPVBQESA-N -1 3 300.749 3.102 10 0 DGAEHM C[C@H](NC(=O)c1cccc2n[n-]nc21)c1cccc(Cl)c1 ZINC000182666953 546167193 /nfs/dbraw/zinc/16/71/93/546167193.db2.gz WSHGRGMUMYWQCP-VIFPVBQESA-N -1 3 300.749 3.102 10 0 DGAEHM C[C@@]12CN(C(=O)NCc3ccc([O-])c(F)c3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000333677411 546509781 /nfs/dbraw/zinc/50/97/81/546509781.db2.gz ZEZYVSXRDWQQLC-NPSOMJIGSA-N -1 3 318.392 3.109 10 0 DGAEHM CO[C@@H]1[C@H](C)[C@@H](NC(=O)c2cc([O-])c3ccccc3c2)C1(C)C ZINC000526921847 546968216 /nfs/dbraw/zinc/96/82/16/546968216.db2.gz MGAREMZPHGNDRQ-SSKCKEOISA-N -1 3 313.397 3.335 10 0 DGAEHM CC(=CC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1cccc(F)c1 ZINC000731986992 574564400 /nfs/dbraw/zinc/56/44/00/574564400.db2.gz NNMCUGZAZGGHPG-PKNBQFBNSA-N -1 3 323.331 3.048 10 0 DGAEHM CC(=CC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1cccc(F)c1 ZINC000731986992 574564401 /nfs/dbraw/zinc/56/44/01/574564401.db2.gz NNMCUGZAZGGHPG-PKNBQFBNSA-N -1 3 323.331 3.048 10 0 DGAEHM O=C([N-]Cc1ccccc1OC1CCC1)C(F)(F)C(F)F ZINC000176774012 655810111 /nfs/dbraw/zinc/81/01/11/655810111.db2.gz CGGQNPVHWMBIMN-UHFFFAOYSA-N -1 3 305.271 3.135 10 0 DGAEHM Cc1ccc(CC(=O)[N-]OCc2cc(F)cc3cccnc32)cc1 ZINC000119942085 661242824 /nfs/dbraw/zinc/24/28/24/661242824.db2.gz GPQDXXFIRQVWQP-UHFFFAOYSA-N -1 3 324.355 3.473 10 0 DGAEHM O=S(=O)([N-]CCC1=CCCC1)c1ccc(Cl)nc1Cl ZINC000178992141 657381824 /nfs/dbraw/zinc/38/18/24/657381824.db2.gz NLJMLCUCNBHNLP-UHFFFAOYSA-N -1 3 321.229 3.167 10 0 DGAEHM CC(C)[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cccnc1Cl ZINC000096811230 657557579 /nfs/dbraw/zinc/55/75/79/657557579.db2.gz SUXGCIBWHJUREN-NEPJUHHUSA-N -1 3 316.854 3.228 10 0 DGAEHM CC(C)(C)c1ncc([N-]S(=O)(=O)/C=C/c2ccccc2)cn1 ZINC000068139068 659941103 /nfs/dbraw/zinc/94/11/03/659941103.db2.gz QPLWUYSUWHBSSJ-MDZDMXLPSA-N -1 3 317.414 3.187 10 0 DGAEHM O=C(Cc1cnc2ccccc2c1)[N-]OCc1ccc(F)cc1 ZINC000190715055 662041855 /nfs/dbraw/zinc/04/18/55/662041855.db2.gz YWEXKBRDXCSASV-UHFFFAOYSA-N -1 3 310.328 3.164 10 0 DGAEHM [O-]c1cccc(CNCCOC(F)(F)C(F)(F)F)c1Cl ZINC000720268149 662307488 /nfs/dbraw/zinc/30/74/88/662307488.db2.gz LXUUDAVTRJOSPN-UHFFFAOYSA-N -1 3 319.657 3.307 10 0 DGAEHM C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)CC1 ZINC000380528146 1176874178 /nfs/dbraw/zinc/87/41/78/1176874178.db2.gz KBAFYASNVHDDQC-NXEZZACHSA-N -1 3 320.817 3.121 10 0 DGAEHM CC(=O)[C@H](C)CCCCC(=O)Nc1nnc(-c2ccc(C)o2)[n-]1 ZINC000181882501 186214981 /nfs/dbraw/zinc/21/49/81/186214981.db2.gz HKQWGTVZVKIFIM-SNVBAGLBSA-N -1 3 318.377 3.097 10 0 DGAEHM CC(=O)[C@H](C)CCCCC(=O)Nc1nc(-c2ccc(C)o2)n[n-]1 ZINC000181882501 186214983 /nfs/dbraw/zinc/21/49/83/186214983.db2.gz HKQWGTVZVKIFIM-SNVBAGLBSA-N -1 3 318.377 3.097 10 0 DGAEHM CC(=O)[C@H](C)CCCCC(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000181882501 186214984 /nfs/dbraw/zinc/21/49/84/186214984.db2.gz HKQWGTVZVKIFIM-SNVBAGLBSA-N -1 3 318.377 3.097 10 0 DGAEHM O=C(Nc1cc(Cl)ccc1[O-])c1ccc(-c2ncon2)cc1 ZINC000107348825 432031160 /nfs/dbraw/zinc/03/11/60/432031160.db2.gz LUVDHIZSDCOTEE-UHFFFAOYSA-N -1 3 315.716 3.348 10 0 DGAEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C[C@H](C)C(C)C)cc2)n1 ZINC000067912717 432046892 /nfs/dbraw/zinc/04/68/92/432046892.db2.gz OJCUTIORSSQALG-LBPRGKRZSA-N -1 3 313.401 3.366 10 0 DGAEHM C[C@H]1OCCC[C@H]1C(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000189799707 432090940 /nfs/dbraw/zinc/09/09/40/432090940.db2.gz ZTLJAQGNWUAFTC-PSASIEDQSA-N -1 3 303.280 3.165 10 0 DGAEHM O=C(Nc1ccc([O-])cc1F)c1cnc(-c2ccncc2)s1 ZINC000180853824 432101948 /nfs/dbraw/zinc/10/19/48/432101948.db2.gz LANFLECKWKVFEH-UHFFFAOYSA-N -1 3 315.329 3.302 10 0 DGAEHM Cc1cc([N-]C(=O)[C@H](C)Nc2cc(F)ccc2OC(C)C)on1 ZINC000171124155 432103376 /nfs/dbraw/zinc/10/33/76/432103376.db2.gz HHTVXZZXWMEZCM-NSHDSACASA-N -1 3 321.352 3.348 10 0 DGAEHM O=C(NCc1cccc(F)c1)c1cc(-c2ccccc2[O-])on1 ZINC000006750131 181383089 /nfs/dbraw/zinc/38/30/89/181383089.db2.gz PXFNRIDBEDCLBL-UHFFFAOYSA-N -1 3 312.300 3.116 10 0 DGAEHM CO[C@@H]1CC[C@@H](NC(=O)CCc2ccc3ccccc3c2[O-])C1 ZINC000451109764 241007567 /nfs/dbraw/zinc/00/75/67/241007567.db2.gz OPNVZKNMYJJSID-HZPDHXFCSA-N -1 3 313.397 3.162 10 0 DGAEHM Cc1cc(CN(C)Cc2cccc([O-])c2Br)no1 ZINC000459313041 243330951 /nfs/dbraw/zinc/33/09/51/243330951.db2.gz XMXIGOTZIBQTTQ-UHFFFAOYSA-N -1 3 311.179 3.083 10 0 DGAEHM COc1ccc2nc(NC(=O)c3ccc([O-])cc3)sc2c1 ZINC000019838719 182155939 /nfs/dbraw/zinc/15/59/39/182155939.db2.gz AATOEVCHQDXUQT-UHFFFAOYSA-N -1 3 300.339 3.263 10 0 DGAEHM O=C(NCc1ccccc1)c1c[n-]c2cc(Cl)ccc2c1=O ZINC000041056051 183159928 /nfs/dbraw/zinc/15/99/28/183159928.db2.gz RKIXPYDQMPXMGQ-UHFFFAOYSA-N -1 3 312.756 3.112 10 0 DGAEHM CCc1onc(C)c1[N-]C(=O)c1cnc2onc(C(C)C)c2c1 ZINC000154064796 284709762 /nfs/dbraw/zinc/70/97/62/284709762.db2.gz QQUWCKJSAKEJBN-UHFFFAOYSA-N -1 3 314.345 3.457 10 0 DGAEHM O=c1cc(C(F)(F)F)nc(NCCc2ccc(Cl)cc2)[n-]1 ZINC000057342380 184034518 /nfs/dbraw/zinc/03/45/18/184034518.db2.gz IWMASVHVKDXUHM-UHFFFAOYSA-N -1 3 317.698 3.097 10 0 DGAEHM Cc1cc(=O)[n-]c([C@H](C)N2CC[C@@H](C(F)(F)F)C(C)(C)C2)n1 ZINC000248726912 285020410 /nfs/dbraw/zinc/02/04/10/285020410.db2.gz ILILNYJSQSDUEV-WDEREUQCSA-N -1 3 317.355 3.462 10 0 DGAEHM Cc1ccc(CCCC(=O)Nc2cc(-c3nccn3C)[n-]n2)cc1 ZINC000119813971 195042071 /nfs/dbraw/zinc/04/20/71/195042071.db2.gz LKHPYAXTFXRRGT-UHFFFAOYSA-N -1 3 323.400 3.080 10 0 DGAEHM Cc1ccc(CCCC(=O)Nc2cc(-c3nccn3C)n[n-]2)cc1 ZINC000119813971 195042073 /nfs/dbraw/zinc/04/20/73/195042073.db2.gz LKHPYAXTFXRRGT-UHFFFAOYSA-N -1 3 323.400 3.080 10 0 DGAEHM O=C(NCc1ccc([O-])c(F)c1)N[C@H]1CCCc2ccccc21 ZINC000155031022 197014984 /nfs/dbraw/zinc/01/49/84/197014984.db2.gz AGRKGTLIUSJDNX-INIZCTEOSA-N -1 3 314.360 3.408 10 0 DGAEHM COc1ccc2c(c1)CCC[C@@]2(NCc1ccccc1)C(=O)[O-] ZINC000309559707 533248298 /nfs/dbraw/zinc/24/82/98/533248298.db2.gz PKQWHXDXCFCDQU-IBGZPJMESA-N -1 3 311.381 3.101 10 0 DGAEHM COc1cccc(C(=O)N[C@H](C)c2c(F)cccc2OC)c1[O-] ZINC000174473430 533417665 /nfs/dbraw/zinc/41/76/65/533417665.db2.gz XUNQHXFIQHWQCT-SNVBAGLBSA-N -1 3 319.332 3.040 10 0 DGAEHM Cc1ccc(-n2nc3[n-]cc4c(c-3c2=O)CC(C)(C)CC4=O)cc1 ZINC000009280615 292035354 /nfs/dbraw/zinc/03/53/54/292035354.db2.gz NUULQPAOTDGPIJ-UHFFFAOYSA-N -1 3 321.380 3.177 10 0 DGAEHM O=C([O-])c1cccc([C@H]2CCN(Cc3ccccc3)CCO2)c1 ZINC000616662232 400195606 /nfs/dbraw/zinc/19/56/06/400195606.db2.gz FEFCOOHWCQIDOA-GOSISDBHSA-N -1 3 311.381 3.348 10 0 DGAEHM CCc1ccc(NC)cc1NC(=O)c1c[n-]c2ccccc2c1=O ZINC000113738973 400381442 /nfs/dbraw/zinc/38/14/42/400381442.db2.gz HBYGMXTWSAIVMO-UHFFFAOYSA-N -1 3 321.380 3.385 10 0 DGAEHM CCc1ccc(NC)cc1NC(=O)c1cnc2ccccc2c1[O-] ZINC000113738973 400381445 /nfs/dbraw/zinc/38/14/45/400381445.db2.gz HBYGMXTWSAIVMO-UHFFFAOYSA-N -1 3 321.380 3.385 10 0 DGAEHM O=C(NCc1ccc([O-])c(F)c1)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000132805648 400563419 /nfs/dbraw/zinc/56/34/19/400563419.db2.gz NGCBGMSKVLQKFI-NWDGAFQWSA-N -1 3 321.298 3.229 10 0 DGAEHM CC(C)[C@@H](NC(=O)c1cc([O-])cc(Br)c1)C1CC1 ZINC000628136759 401531140 /nfs/dbraw/zinc/53/11/40/401531140.db2.gz MMFHHTHHWHCMSC-CYBMUJFWSA-N -1 3 312.207 3.319 10 0 DGAEHM CCc1cc(C(=O)NCc2ccccc2-n2cccn2)ccc1[O-] ZINC000362738817 286856904 /nfs/dbraw/zinc/85/69/04/286856904.db2.gz XJFSORBQMZFLED-UHFFFAOYSA-N -1 3 321.380 3.070 10 0 DGAEHM O=C(N[C@@H]1COc2ccccc21)c1cc([O-])ccc1C(F)(F)F ZINC000189284410 165155569 /nfs/dbraw/zinc/15/55/69/165155569.db2.gz HCTRSUSUHHFLOV-CYBMUJFWSA-N -1 3 323.270 3.275 10 0 DGAEHM Cc1ccc([C@@H]2CCCCN2C(=O)c2ccc3n[n-]nc3c2)o1 ZINC000129209431 196029790 /nfs/dbraw/zinc/02/97/90/196029790.db2.gz KOXWELNQPURDKQ-HNNXBMFYSA-N -1 3 310.357 3.227 10 0 DGAEHM CC1(C)CN(C(=O)c2ccccc2[O-])CC[C@@H]1C(F)(F)F ZINC000190727694 432184917 /nfs/dbraw/zinc/18/49/17/432184917.db2.gz JRSFWWFIVWZRCF-LBPRGKRZSA-N -1 3 301.308 3.443 10 0 DGAEHM CCc1csc([C@H]2CCCN(C(=O)c3cccc([O-])c3)C2)n1 ZINC000182442044 432191059 /nfs/dbraw/zinc/19/10/59/432191059.db2.gz WPUMKXAMJMJQIC-ZDUSSCGKSA-N -1 3 316.426 3.431 10 0 DGAEHM C[C@H](NC(=O)c1cccc([O-])c1)c1ccccc1-n1cccn1 ZINC000182609465 432210751 /nfs/dbraw/zinc/21/07/51/432210751.db2.gz YWAWOFOQQJWYRG-ZDUSSCGKSA-N -1 3 307.353 3.069 10 0 DGAEHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@H](C)C(C)C)nc2)n1 ZINC000172615217 432224235 /nfs/dbraw/zinc/22/42/35/432224235.db2.gz PVAYBTWEULMGAP-LBPRGKRZSA-N -1 3 300.406 3.098 10 0 DGAEHM Cc1cc(F)cc2[nH]c(C(=O)NCc3ccc([O-])c(F)c3)cc21 ZINC000174209386 228288144 /nfs/dbraw/zinc/28/81/44/228288144.db2.gz AOTBUUAMIOLDRO-UHFFFAOYSA-N -1 3 316.307 3.390 10 0 DGAEHM Cc1ccc(C(=O)N(C[C@@H]2CCCO2)C2CCCC2)c([O-])c1 ZINC000174540072 228291731 /nfs/dbraw/zinc/29/17/31/228291731.db2.gz MXXIEJWVMJIIPT-HNNXBMFYSA-N -1 3 303.402 3.264 10 0 DGAEHM O=C(/C=C/c1cncc([O-])c1)N1CCCC[C@@H]1c1nccs1 ZINC000179523479 228351505 /nfs/dbraw/zinc/35/15/05/228351505.db2.gz USJPIEFSXJCWRQ-ISZGNANSSA-N -1 3 315.398 3.011 10 0 DGAEHM COc1cccc(C(=O)N2CCCc3cccc([O-])c32)c1F ZINC000182902691 432239522 /nfs/dbraw/zinc/23/95/22/432239522.db2.gz HYHFZVGELWYEPP-UHFFFAOYSA-N -1 3 301.317 3.133 10 0 DGAEHM CCOC(=O)[C@H](CC)SCc1noc(-c2ccccc2[O-])n1 ZINC000370607836 271373422 /nfs/dbraw/zinc/37/34/22/271373422.db2.gz ZIWHSPLRPQZTLQ-LBPRGKRZSA-N -1 3 322.386 3.017 10 0 DGAEHM CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1c(C)cccc1[O-] ZINC000183030878 432251631 /nfs/dbraw/zinc/25/16/31/432251631.db2.gz MQJNFNDQJYDEQA-GFCCVEGCSA-N -1 3 322.405 3.333 10 0 DGAEHM CCN(Cc1ccccn1)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000183071287 432256242 /nfs/dbraw/zinc/25/62/42/432256242.db2.gz QVKUGIZKWVPVKS-UHFFFAOYSA-N -1 3 310.397 3.328 10 0 DGAEHM CC(C)(C)C1CCC(c2cc(NC(=O)c3cnn[n-]3)n[nH]2)CC1 ZINC000118505360 277133957 /nfs/dbraw/zinc/13/39/57/277133957.db2.gz KMDRNOBECBSKGI-UHFFFAOYSA-N -1 3 316.409 3.100 10 0 DGAEHM CC(C)(C)C1CCC(c2cc(NC(=O)c3c[n-]nn3)n[nH]2)CC1 ZINC000118505360 277133958 /nfs/dbraw/zinc/13/39/58/277133958.db2.gz KMDRNOBECBSKGI-UHFFFAOYSA-N -1 3 316.409 3.100 10 0 DGAEHM CC(C)(C)C1CCC(c2cc(NC(=O)c3cn[n-]n3)n[nH]2)CC1 ZINC000118505360 277133960 /nfs/dbraw/zinc/13/39/60/277133960.db2.gz KMDRNOBECBSKGI-UHFFFAOYSA-N -1 3 316.409 3.100 10 0 DGAEHM O=C(Cc1coc(-c2ccc(F)cc2)n1)Nc1ccccc1[O-] ZINC000113414253 431346276 /nfs/dbraw/zinc/34/62/76/431346276.db2.gz AKYBAGSEOBAAIS-UHFFFAOYSA-N -1 3 312.300 3.368 10 0 DGAEHM COCCNCc1ccc(-c2cc(C(=O)[O-])ccc2Cl)o1 ZINC000013730551 431567202 /nfs/dbraw/zinc/56/72/02/431567202.db2.gz RTOUKNPCOHTSFM-UHFFFAOYSA-N -1 3 309.749 3.034 10 0 DGAEHM COc1cccc(C(=O)N2CC=C(c3ccccc3)CC2)c1[O-] ZINC000078231758 431651349 /nfs/dbraw/zinc/65/13/49/431651349.db2.gz RYGHKLNBNRPCKF-UHFFFAOYSA-N -1 3 309.365 3.330 10 0 DGAEHM COc1cccc(C(=O)N(Cc2cccc(F)c2)C2CC2)c1[O-] ZINC000078263218 431652082 /nfs/dbraw/zinc/65/20/82/431652082.db2.gz CPIVMZOULQYSIC-UHFFFAOYSA-N -1 3 315.344 3.345 10 0 DGAEHM COc1ccc([C@H]2C[C@@H](C)N(C(=O)c3ccccc3[O-])C2)cc1 ZINC000078187866 431648526 /nfs/dbraw/zinc/64/85/26/431648526.db2.gz MUWFMGSAUCOXON-HIFRSBDPSA-N -1 3 311.381 3.419 10 0 DGAEHM Cc1ccccc1[C@@H](C)CC(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000119451110 431693271 /nfs/dbraw/zinc/69/32/71/431693271.db2.gz SJSUGGFMXSYZPX-ZDUSSCGKSA-N -1 3 323.400 3.251 10 0 DGAEHM Cc1ccccc1[C@@H](C)CC(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000119451110 431693280 /nfs/dbraw/zinc/69/32/80/431693280.db2.gz SJSUGGFMXSYZPX-ZDUSSCGKSA-N -1 3 323.400 3.251 10 0 DGAEHM COc1cccc(C(=O)Nc2cccc(-c3cc[nH]n3)c2)c1[O-] ZINC000078679765 431697173 /nfs/dbraw/zinc/69/71/73/431697173.db2.gz VUNPTMOIGNEDPT-UHFFFAOYSA-N -1 3 309.325 3.043 10 0 DGAEHM COc1cccc([C@H]2C[C@H]2C(=O)Nc2ccc([O-])cc2F)c1 ZINC000124354900 431891663 /nfs/dbraw/zinc/89/16/63/431891663.db2.gz DEJJHVQAJXUQGR-ZIAGYGMSSA-N -1 3 301.317 3.282 10 0 DGAEHM COc1ccc([O-])c(C(=O)N(C)Cc2ccc(Cl)cc2)c1 ZINC000048930927 431934398 /nfs/dbraw/zinc/93/43/98/431934398.db2.gz CSOKMTDNRPIQLG-UHFFFAOYSA-N -1 3 305.761 3.326 10 0 DGAEHM Cc1ccc2c(n1)OCCN2C(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000181602055 281137490 /nfs/dbraw/zinc/13/74/90/281137490.db2.gz HXLZLQRGKWWANX-UHFFFAOYSA-N -1 3 312.156 3.064 10 0 DGAEHM O=C(C[C@@H]1CCOc2ccccc21)Nc1ccc([O-])cc1F ZINC000183239770 432272781 /nfs/dbraw/zinc/27/27/81/432272781.db2.gz WOBFMVDJPLEACA-NSHDSACASA-N -1 3 301.317 3.426 10 0 DGAEHM CCC1(C(=O)Nc2cc(-c3nccn3C)[n-]n2)CCCCC1 ZINC000184356614 432383231 /nfs/dbraw/zinc/38/32/31/432383231.db2.gz MNMBTGXPWILWKJ-UHFFFAOYSA-N -1 3 301.394 3.109 10 0 DGAEHM CCC1(C(=O)Nc2cc(-c3nccn3C)n[n-]2)CCCCC1 ZINC000184356614 432383235 /nfs/dbraw/zinc/38/32/35/432383235.db2.gz MNMBTGXPWILWKJ-UHFFFAOYSA-N -1 3 301.394 3.109 10 0 DGAEHM Cc1cc(=O)[n-]c([C@H](C)N(C)Cc2nc3c(s2)CCCC3)n1 ZINC000192610213 432392512 /nfs/dbraw/zinc/39/25/12/432392512.db2.gz ZBRIRIQEEXPKTR-NSHDSACASA-N -1 3 318.446 3.019 10 0 DGAEHM O=C(C/C=C\c1ccc(F)cc1)NCc1ccc([O-])c(F)c1 ZINC000254990353 432406468 /nfs/dbraw/zinc/40/64/68/432406468.db2.gz QNNBHXAGJPEJCT-UPHRSURJSA-N -1 3 303.308 3.390 10 0 DGAEHM CC(C)[C@H]1C[C@@H]1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000185090420 432465806 /nfs/dbraw/zinc/46/58/06/432465806.db2.gz NIYPTDUYJSULMA-MNOVXSKESA-N -1 3 312.207 3.063 10 0 DGAEHM CCC(C)(C)[C@H]1CCCN1Cc1nc(=O)c2sccc2[n-]1 ZINC000156877004 432610154 /nfs/dbraw/zinc/61/01/54/432610154.db2.gz UHUOPHMETRUVDQ-GFCCVEGCSA-N -1 3 305.447 3.385 10 0 DGAEHM Cc1ccccc1-c1nc(C[S@@](=O)c2ccc([O-])cc2)no1 ZINC000157085480 432614389 /nfs/dbraw/zinc/61/43/89/432614389.db2.gz KRIXCJFQTFABHT-QFIPXVFZSA-N -1 3 314.366 3.058 10 0 DGAEHM O=C(c1cc([O-])ccc1Cl)N1CCC=C(Br)C1 ZINC000291656322 433302465 /nfs/dbraw/zinc/30/24/65/433302465.db2.gz UZVCFCHYPUWCBG-UHFFFAOYSA-N -1 3 316.582 3.170 10 0 DGAEHM CC(=O)N(C)c1ccc(C(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000427041042 433642043 /nfs/dbraw/zinc/64/20/43/433642043.db2.gz OKHSUIFWCCNTTG-UHFFFAOYSA-N -1 3 318.760 3.281 10 0 DGAEHM CO[C@H](C)[C@@H](C)NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436613289 434036382 /nfs/dbraw/zinc/03/63/82/434036382.db2.gz UMXSNYCGDLAYKB-ZIAGYGMSSA-N -1 3 313.397 3.136 10 0 DGAEHM CC(C)c1cc(C(=O)NCc2ccn(C)n2)c([O-])c(C(C)C)c1 ZINC000499070483 294077918 /nfs/dbraw/zinc/07/79/18/294077918.db2.gz IYZJTPQWOSBWEY-UHFFFAOYSA-N -1 3 315.417 3.303 10 0 DGAEHM CO[C@@H]1CN(Cc2cccc([O-])c2Br)CC[C@@H]1C ZINC000315220125 434158305 /nfs/dbraw/zinc/15/83/05/434158305.db2.gz FGYCBRANGZUKQO-GXFFZTMASA-N -1 3 314.223 3.012 10 0 DGAEHM O=C(N[C@H]1C[C@H](c2cccc(Cl)c2)C1)c1ccc(O)cc1[O-] ZINC000437408455 434258125 /nfs/dbraw/zinc/25/81/25/434258125.db2.gz QMKFVHUZIRCZCI-AULYBMBSSA-N -1 3 317.772 3.427 10 0 DGAEHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1cc2ccccc2s1 ZINC000525967181 295046018 /nfs/dbraw/zinc/04/60/18/295046018.db2.gz URJJNJDTCCSTMB-LBPRGKRZSA-N -1 3 313.382 3.150 10 0 DGAEHM Cc1ccc(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)c(F)c1Cl ZINC000527209165 295083688 /nfs/dbraw/zinc/08/36/88/295083688.db2.gz GBSQIAISKZMXON-LLVKDONJSA-N -1 3 323.755 3.036 10 0 DGAEHM COc1cccc2c1N(Cc1cc(=O)[n-]c(C3CC3)n1)CCC2 ZINC000459355630 434570316 /nfs/dbraw/zinc/57/03/16/434570316.db2.gz XBFIMUBTDMEMRL-UHFFFAOYSA-N -1 3 311.385 3.021 10 0 DGAEHM CCc1cccc(C(=O)N2CC[C@@H](C(F)(F)F)[C@H]2C)c1[O-] ZINC000527473836 295098162 /nfs/dbraw/zinc/09/81/62/295098162.db2.gz KBLBSZRIVDHFBH-BXKDBHETSA-N -1 3 301.308 3.368 10 0 DGAEHM CC(=O)Nc1ccc([O-])c(C(=O)N2CC[C@]3(CC[C@H](C)C3)C2)c1 ZINC000408409732 434571603 /nfs/dbraw/zinc/57/16/03/434571603.db2.gz CDSQQQOLMCLNAH-SGTLLEGYSA-N -1 3 316.401 3.003 10 0 DGAEHM CCOC(=O)c1c([O-])ccc(C(F)(F)F)c1Br ZINC000575699262 435046513 /nfs/dbraw/zinc/04/65/13/435046513.db2.gz GFRDLXPOLVLODL-UHFFFAOYSA-N -1 3 313.069 3.350 10 0 DGAEHM [O-]c1cc(F)c(OC(F)(F)F)c(I)c1 ZINC000575707271 435049134 /nfs/dbraw/zinc/04/91/34/435049134.db2.gz SKOAQQRYPHFNCJ-UHFFFAOYSA-N -1 3 321.995 3.035 10 0 DGAEHM C[C@]12CC3CC(C(=O)NCc4ncccc4[O-])(C1)C[C@@](C)(C3)C2 ZINC000408298686 300857775 /nfs/dbraw/zinc/85/77/75/300857775.db2.gz QHQQIERXFNOZSU-DFDFAMMDSA-N -1 3 314.429 3.400 10 0 DGAEHM CO[C@H](C)c1nc(C)c(C(=O)Nc2ccc(C)cc2[O-])s1 ZINC000175001728 312767713 /nfs/dbraw/zinc/76/77/13/312767713.db2.gz JKQVJFZOTGEQGN-SNVBAGLBSA-N -1 3 306.387 3.425 10 0 DGAEHM CC(C)[C@@H]1CCN(C(=O)c2cc([O-])cc(Br)c2)C1 ZINC000528811830 313088620 /nfs/dbraw/zinc/08/86/20/313088620.db2.gz JYEVJXXLRKWLNB-SNVBAGLBSA-N -1 3 312.207 3.273 10 0 DGAEHM C[C@H](NC(=O)c1cc([O-])cc(Br)c1)C1CCCC1 ZINC000529467450 313202321 /nfs/dbraw/zinc/20/23/21/313202321.db2.gz DXNHHVZXUJGQLR-VIFPVBQESA-N -1 3 312.207 3.463 10 0 DGAEHM CCOC(=O)c1[n-]c(C)nc1NC(=O)c1ccc(C(C)C)s1 ZINC000546894979 314335381 /nfs/dbraw/zinc/33/53/81/314335381.db2.gz JATFOYKJJUXXCQ-UHFFFAOYSA-N -1 3 321.402 3.332 10 0 DGAEHM CCOC(=O)c1nc(C)[n-]c1NC(=O)c1ccc(C(C)C)s1 ZINC000546894979 314335383 /nfs/dbraw/zinc/33/53/83/314335383.db2.gz JATFOYKJJUXXCQ-UHFFFAOYSA-N -1 3 321.402 3.332 10 0 DGAEHM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1cccc2[n-]nnc21 ZINC000182703870 323310014 /nfs/dbraw/zinc/31/00/14/323310014.db2.gz HKHQFJOYRBQCMA-SNVBAGLBSA-N -1 3 314.776 3.445 10 0 DGAEHM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1cccc2nn[n-]c21 ZINC000182703870 323310018 /nfs/dbraw/zinc/31/00/18/323310018.db2.gz HKHQFJOYRBQCMA-SNVBAGLBSA-N -1 3 314.776 3.445 10 0 DGAEHM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1cccc2n[n-]nc21 ZINC000182703870 323310021 /nfs/dbraw/zinc/31/00/21/323310021.db2.gz HKHQFJOYRBQCMA-SNVBAGLBSA-N -1 3 314.776 3.445 10 0 DGAEHM CCc1ccc(NC(=O)c2n[n-]nc2-c2ccccc2)cc1F ZINC000194219503 323473014 /nfs/dbraw/zinc/47/30/14/323473014.db2.gz PJCDVVSEALIXNU-UHFFFAOYSA-N -1 3 310.332 3.426 10 0 DGAEHM CCN(C(=O)NCc1ccc([O-])c(F)c1)[C@H](C)c1cccnc1 ZINC000163656642 519971612 /nfs/dbraw/zinc/97/16/12/519971612.db2.gz XXRWOJBXUWQAMV-GFCCVEGCSA-N -1 3 317.364 3.219 10 0 DGAEHM Cc1cccc(C(=O)N(CCc2nccs2)C(C)C)c1[O-] ZINC000163392871 534586120 /nfs/dbraw/zinc/58/61/20/534586120.db2.gz JWEAFJHSEQBWAF-UHFFFAOYSA-N -1 3 304.415 3.250 10 0 DGAEHM CC(=O)c1ccc(C(=O)N2CCC(C(C)(C)C)CC2)cc1[O-] ZINC000331360149 527239055 /nfs/dbraw/zinc/23/90/55/527239055.db2.gz XLUYRTFJDPNEEH-UHFFFAOYSA-N -1 3 303.402 3.493 10 0 DGAEHM O=c1cc(CN2CCCCC2)nc(-c2ccc(Cl)cc2)[n-]1 ZINC000073637700 527475938 /nfs/dbraw/zinc/47/59/38/527475938.db2.gz BOXZULOLTCXXJV-UHFFFAOYSA-N -1 3 303.793 3.076 10 0 DGAEHM CCC[C@@H](C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1)c1ccccc1 ZINC000473853669 535312738 /nfs/dbraw/zinc/31/27/38/535312738.db2.gz WUEADAOPFACBBP-GDBMZVCRSA-N -1 3 313.401 3.206 10 0 DGAEHM COc1cccc(C(=O)Nc2cc(C(F)(F)F)ccn2)c1[O-] ZINC000180569783 546147117 /nfs/dbraw/zinc/14/71/17/546147117.db2.gz FAJWVTGJGFXDLV-UHFFFAOYSA-N -1 3 312.247 3.067 10 0 DGAEHM O=C(NC1(CCOCc2ccccc2)CC1)c1ccccc1[O-] ZINC000436522412 546823240 /nfs/dbraw/zinc/82/32/40/546823240.db2.gz UBQJDYDHCRFWEQ-UHFFFAOYSA-N -1 3 311.381 3.262 10 0 DGAEHM CC(C)COCCCNC(=O)c1cc([O-])c2ccccc2c1 ZINC000471633448 546901643 /nfs/dbraw/zinc/90/16/43/546901643.db2.gz GKCZIPFOMZNGAJ-UHFFFAOYSA-N -1 3 301.386 3.338 10 0 DGAEHM O=C(N[C@H]1COc2ccccc2C1)c1cc([O-])c2ccccc2c1 ZINC000526838674 546968775 /nfs/dbraw/zinc/96/87/75/546968775.db2.gz KLVMNFNUIUBDLZ-MRXNPFEDSA-N -1 3 319.360 3.279 10 0 DGAEHM C[C@H]([N-]C(=O)C(F)(F)C1(O)CCC1)c1ccc(F)c(Cl)c1 ZINC000138574970 627182487 /nfs/dbraw/zinc/18/24/87/627182487.db2.gz GYOBVSVZLDLRQS-QMMMGPOBSA-N -1 3 321.726 3.207 10 0 DGAEHM O=S(=O)([N-]c1cccnc1Cl)c1cccc2ncccc21 ZINC000102319710 630055297 /nfs/dbraw/zinc/05/52/97/630055297.db2.gz INKBDKBWWYNRCD-UHFFFAOYSA-N -1 3 319.773 3.084 10 0 DGAEHM CCc1ccc([O-])c(C(=O)Nc2cccc3c2OCC[C@@H]3O)c1 ZINC000185367702 660219587 /nfs/dbraw/zinc/21/95/87/660219587.db2.gz MDWYHLNJFUUVPP-INIZCTEOSA-N -1 3 313.353 3.023 10 0 DGAEHM Cc1cc(=O)[n-]c(CN[C@@H](C)c2ccc(Br)cc2)n1 ZINC000700462652 660627636 /nfs/dbraw/zinc/62/76/36/660627636.db2.gz MJJPPXCYSVLNEE-JTQLQIEISA-N -1 3 322.206 3.104 10 0 DGAEHM CC(C)(C)c1ncc([N-]S(=O)(=O)/C=C\c2ccccc2)cn1 ZINC000255213883 655654231 /nfs/dbraw/zinc/65/42/31/655654231.db2.gz QPLWUYSUWHBSSJ-KTKRTIGZSA-N -1 3 317.414 3.187 10 0 DGAEHM Cc1ccc(C(=O)Nc2ccccc2C(=O)NC(C)C)c([O-])c1 ZINC000124153720 656225793 /nfs/dbraw/zinc/22/57/93/656225793.db2.gz YQHLKUYORLNZDR-UHFFFAOYSA-N -1 3 312.369 3.091 10 0 DGAEHM C[C@@H]1CCC[C@H](CC[N-]S(=O)(=O)c2cccnc2Cl)C1 ZINC000070548353 660065499 /nfs/dbraw/zinc/06/54/99/660065499.db2.gz QJYKHYDCEXQFEX-VXGBXAGGSA-N -1 3 316.854 3.230 10 0 DGAEHM C/C(=C/c1ccc(F)cc1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000156243270 661860849 /nfs/dbraw/zinc/86/08/49/661860849.db2.gz HBXOJBCXNHACJX-FLIBITNWSA-N -1 3 303.308 3.390 10 0 DGAEHM COc1ccc(C)cc1[N-]S(=O)(=O)/C=C\c1ccccc1 ZINC000215223008 661887018 /nfs/dbraw/zinc/88/70/18/661887018.db2.gz OZKQXQBITWIYHS-KHPPLWFESA-N -1 3 303.383 3.416 10 0 DGAEHM C[C@H]1CC[C@@H](C[N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)C1 ZINC000230415990 1202597961 /nfs/dbraw/zinc/59/79/61/1202597961.db2.gz FTYBGTVWXDITJG-DTWKUNHWSA-N -1 3 323.245 3.103 10 0 DGAEHM O=C([O-])CCN(Cc1ccccc1)Cc1cnc2ccccc2n1 ZINC000692454033 976487790 /nfs/dbraw/zinc/48/77/90/976487790.db2.gz GYPXKARHICSURW-UHFFFAOYSA-N -1 3 321.380 3.107 10 0 DGAEHM CC[C@H](CSC)N(C)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000183952929 529409728 /nfs/dbraw/zinc/40/97/28/529409728.db2.gz DFQQMGGBAWZWNL-CYBMUJFWSA-N -1 3 307.459 3.485 10 0 DGAEHM Cc1ccc([O-])c(CNCc2ccc(Br)cc2)n1 ZINC000103344212 432007402 /nfs/dbraw/zinc/00/74/02/432007402.db2.gz DGSZWHDYWACDCM-UHFFFAOYSA-N -1 3 307.191 3.148 10 0 DGAEHM COc1cccc(C(=O)N2CC[C@@H](c3ccccc3)[C@@H]2C)c1[O-] ZINC000175699024 186189474 /nfs/dbraw/zinc/18/94/74/186189474.db2.gz RQMJPJOVAFXAQC-DZGCQCFKSA-N -1 3 311.381 3.419 10 0 DGAEHM CC1(C)CC(=O)c2cc(-c3nc4ccccc4[n-]3)c(=O)[nH]c2C1 ZINC000072450462 191170339 /nfs/dbraw/zinc/17/03/39/191170339.db2.gz XTLGBPNUKLJBQP-UHFFFAOYSA-N -1 3 307.353 3.073 10 0 DGAEHM COc1ccc(C(=O)N2CCCC[C@@H]2c2nccs2)c([O-])c1 ZINC000173380732 198208388 /nfs/dbraw/zinc/20/83/88/198208388.db2.gz OODAEPCPEMGJMT-CYBMUJFWSA-N -1 3 318.398 3.225 10 0 DGAEHM CC[C@H](Cc1ccccc1)N(C)C(=O)c1cccc(OC)c1[O-] ZINC000173556061 198225930 /nfs/dbraw/zinc/22/59/30/198225930.db2.gz USMTURNLIWQWGZ-OAHLLOKOSA-N -1 3 313.397 3.494 10 0 DGAEHM O=c1[n-]c(CSc2ccccn2)nc2c3ccccc3oc21 ZINC000003646849 181043442 /nfs/dbraw/zinc/04/34/42/181043442.db2.gz OFPPBURSJQTDOK-UHFFFAOYSA-N -1 3 309.350 3.357 10 0 DGAEHM CC[C@@H]([N-]S(=O)(=O)c1cc(C)cc(F)c1)c1nccs1 ZINC000080759931 192188450 /nfs/dbraw/zinc/18/84/50/192188450.db2.gz YJBPPUKMHOADNX-GFCCVEGCSA-N -1 3 314.407 3.020 10 0 DGAEHM O=C(CC1CCC(C(F)(F)F)CC1)Nc1ncccc1[O-] ZINC000180994822 199238978 /nfs/dbraw/zinc/23/89/78/199238978.db2.gz LOFFOOMPCPTEDO-UHFFFAOYSA-N -1 3 302.296 3.485 10 0 DGAEHM CCc1ccc(C(=O)N2CCC[C@@H](C(F)(F)F)C2)c([O-])c1 ZINC000188929569 200323290 /nfs/dbraw/zinc/32/32/90/200323290.db2.gz CULCGHDGVZOTQS-LLVKDONJSA-N -1 3 301.308 3.369 10 0 DGAEHM COc1ccc([O-])c(C(=O)Nc2cc(-n3cccn3)ccc2C)c1 ZINC000189815791 432092258 /nfs/dbraw/zinc/09/22/58/432092258.db2.gz FAHGDEQSPJGSQQ-UHFFFAOYSA-N -1 3 323.352 3.147 10 0 DGAEHM Cc1cc([C@H]2CN(C(=O)c3ccccc3[O-])CCO2)ccc1F ZINC000135268501 432108778 /nfs/dbraw/zinc/10/87/78/432108778.db2.gz YXZUXUOKBDJJRI-QGZVFWFLSA-N -1 3 315.344 3.053 10 0 DGAEHM Cn1cccc1[C@H]1CCCCN1Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459361605 243348712 /nfs/dbraw/zinc/34/87/12/243348712.db2.gz PKUWTFQZVWDEQR-MRXNPFEDSA-N -1 3 312.417 3.125 10 0 DGAEHM Cc1cc(C)cc([C@H]2CCN(C(=O)c3cccc4[n-]nnc43)C2)c1 ZINC000119244560 284138742 /nfs/dbraw/zinc/13/87/42/284138742.db2.gz AHQQRUMFXAOILW-AWEZNQCLSA-N -1 3 320.396 3.204 10 0 DGAEHM Cc1cc(C)cc([C@H]2CCN(C(=O)c3cccc4nn[n-]c43)C2)c1 ZINC000119244560 284138745 /nfs/dbraw/zinc/13/87/45/284138745.db2.gz AHQQRUMFXAOILW-AWEZNQCLSA-N -1 3 320.396 3.204 10 0 DGAEHM Cc1cc(C)cc([C@H]2CCN(C(=O)c3cccc4n[n-]nc43)C2)c1 ZINC000119244560 284138749 /nfs/dbraw/zinc/13/87/49/284138749.db2.gz AHQQRUMFXAOILW-AWEZNQCLSA-N -1 3 320.396 3.204 10 0 DGAEHM COc1ccc2[n-]cc(C(=O)Nc3cccc(C)c3)c(=O)c2c1 ZINC000039962768 183025422 /nfs/dbraw/zinc/02/54/22/183025422.db2.gz DHQMSMTUGDXVME-UHFFFAOYSA-N -1 3 308.337 3.097 10 0 DGAEHM CCN(c1ccccc1)c1ncnc([N-]c2nccs2)c1N ZINC000040679618 183116139 /nfs/dbraw/zinc/11/61/39/183116139.db2.gz NAKGEVDVPCQVIG-UHFFFAOYSA-N -1 3 312.402 3.417 10 0 DGAEHM O=C([O-])C[C@@H](c1cccc(Br)c1)N1CCCCC1 ZINC000057656260 184044488 /nfs/dbraw/zinc/04/44/88/184044488.db2.gz GMWOCHRCTYBXSL-ZDUSSCGKSA-N -1 3 312.207 3.451 10 0 DGAEHM O=c1[n-]c(NCc2ccc(C(F)(F)F)cc2)nc2c1CCCC2 ZINC000057343172 184034360 /nfs/dbraw/zinc/03/43/60/184034360.db2.gz GNBGZUTVRVKDNC-UHFFFAOYSA-N -1 3 323.318 3.280 10 0 DGAEHM CCN(Cc1ccc(Br)cc1F)[C@@H](C)CC(=O)[O-] ZINC000061183253 184165224 /nfs/dbraw/zinc/16/52/24/184165224.db2.gz KYFCVBFTFIVSFE-VIFPVBQESA-N -1 3 318.186 3.273 10 0 DGAEHM [O-]c1ccc(CNc2ccccc2CO)cc1Br ZINC000062702657 184248294 /nfs/dbraw/zinc/24/82/94/184248294.db2.gz MWZKHGMZQWUSIP-UHFFFAOYSA-N -1 3 308.175 3.259 10 0 DGAEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccccc3F)cc2)n1 ZINC000064343050 184294610 /nfs/dbraw/zinc/29/46/10/184294610.db2.gz PFNVMAQCXWFWEB-UHFFFAOYSA-N -1 3 323.327 3.137 10 0 DGAEHM Cc1nc(-c2cccc(NC([O-])=NOCc3ccccc3)c2)no1 ZINC000064545194 184299346 /nfs/dbraw/zinc/29/93/46/184299346.db2.gz ZHMGWQONQLSYJO-UHFFFAOYSA-N -1 3 324.340 3.298 10 0 DGAEHM Cc1nc(-c2cccc(NC(=O)[N-]OCc3ccccc3)c2)no1 ZINC000064545194 184299348 /nfs/dbraw/zinc/29/93/48/184299348.db2.gz ZHMGWQONQLSYJO-UHFFFAOYSA-N -1 3 324.340 3.298 10 0 DGAEHM O=C([N-]c1ncccc1Cl)c1ncsc1Br ZINC000343556019 254160124 /nfs/dbraw/zinc/16/01/24/254160124.db2.gz DNSAIHLBBCTYQG-UHFFFAOYSA-N -1 3 318.583 3.206 10 0 DGAEHM COc1cccc(C(=O)N2CCc3c2cccc3Cl)c1[O-] ZINC000155657955 533402174 /nfs/dbraw/zinc/40/21/74/533402174.db2.gz NOJQRTFTDKMCBJ-UHFFFAOYSA-N -1 3 303.745 3.257 10 0 DGAEHM O=C(NC[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cccc([O-])c1 ZINC000357303654 285707435 /nfs/dbraw/zinc/70/74/35/285707435.db2.gz LIYWVHBUTUIGAJ-ZYHUDNBSSA-N -1 3 301.308 3.491 10 0 DGAEHM O=C([O-])c1ccccc1[C@H]1CCOCCN1Cc1ccccc1 ZINC000616599894 400181961 /nfs/dbraw/zinc/18/19/61/400181961.db2.gz YQBGEMKGKMECCA-GOSISDBHSA-N -1 3 311.381 3.348 10 0 DGAEHM O=C([O-])c1ccc([C@@H]2COCCCN2Cc2ccccc2)cc1 ZINC000616647177 400192573 /nfs/dbraw/zinc/19/25/73/400192573.db2.gz LPRWNHUKCFVOJZ-SFHVURJKSA-N -1 3 311.381 3.348 10 0 DGAEHM CN(C)CCN(C)c1nc(-c2ccccc2[O-])nc2ccccc21 ZINC000115194762 400393785 /nfs/dbraw/zinc/39/37/85/400393785.db2.gz RLPKZWZRWZAREY-UHFFFAOYSA-N -1 3 322.412 3.000 10 0 DGAEHM Cc1cc(C(=O)[N-]c2ncc(Cc3ccc(F)cc3)s2)on1 ZINC000039517296 400399319 /nfs/dbraw/zinc/39/93/19/400399319.db2.gz XIIGDKYEDGKULM-UHFFFAOYSA-N -1 3 317.345 3.422 10 0 DGAEHM O=C(NCc1ccc([O-])c(F)c1)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000132805279 400563455 /nfs/dbraw/zinc/56/34/55/400563455.db2.gz NGCBGMSKVLQKFI-VXGBXAGGSA-N -1 3 321.298 3.229 10 0 DGAEHM O=C(NCc1ccc([O-])c(F)c1)C1(c2ccc(F)cc2)CC1 ZINC000132913741 400564133 /nfs/dbraw/zinc/56/41/33/400564133.db2.gz FOCJSXNPPIUWDO-UHFFFAOYSA-N -1 3 303.308 3.018 10 0 DGAEHM CO[C@@H](C)c1cccc(N[C@@H](C)C(=O)[N-]c2cc(C)no2)c1 ZINC000171089351 400785310 /nfs/dbraw/zinc/78/53/10/400785310.db2.gz DRMRPNIHFPCSAB-RYUDHWBXSA-N -1 3 303.362 3.130 10 0 DGAEHM O=S(=O)([N-]CCCC1CC1)c1cccc(Cl)c1Cl ZINC000605588395 400878200 /nfs/dbraw/zinc/87/82/00/400878200.db2.gz JFSZEDVKUDDXIC-UHFFFAOYSA-N -1 3 308.230 3.462 10 0 DGAEHM Cc1c2c(sc1NC(=O)c1ccc3n[n-]nc3c1)CCCC2 ZINC000174398589 400856636 /nfs/dbraw/zinc/85/66/36/400856636.db2.gz UDUGCBGDFKJAHK-UHFFFAOYSA-N -1 3 312.398 3.459 10 0 DGAEHM CCC(F)(F)C(C)(C)C[N-]S(=O)(=O)c1ccccc1F ZINC000625493869 401142027 /nfs/dbraw/zinc/14/20/27/401142027.db2.gz TVYGCOXPHXMLJK-UHFFFAOYSA-N -1 3 309.353 3.176 10 0 DGAEHM Cc1oc2ccccc2c1C(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000186441668 165043095 /nfs/dbraw/zinc/04/30/95/165043095.db2.gz HUFQBVJNTGNPGO-UHFFFAOYSA-N -1 3 321.340 3.117 10 0 DGAEHM Cc1oc2ccccc2c1C(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000186441668 165043097 /nfs/dbraw/zinc/04/30/97/165043097.db2.gz HUFQBVJNTGNPGO-UHFFFAOYSA-N -1 3 321.340 3.117 10 0 DGAEHM Cc1csc([C@H]2CCCN([C@@H](C)c3nc(C)cc(=O)[n-]3)C2)n1 ZINC000192562464 165296785 /nfs/dbraw/zinc/29/67/85/165296785.db2.gz IYJWRLKFWAIRER-STQMWFEESA-N -1 3 318.446 3.196 10 0 DGAEHM Cc1cc(=O)[n-]c([C@@H](C)N[C@@H](C)c2ccccc2-n2cccn2)n1 ZINC000192733558 165304602 /nfs/dbraw/zinc/30/46/02/165304602.db2.gz UFUCGBSGPLYXNM-UONOGXRCSA-N -1 3 323.400 3.088 10 0 DGAEHM Cc1cc(C)cc([C@H]2CCN(C(=O)c3ccc4n[n-]nc4c3)C2)c1 ZINC000181956268 432153367 /nfs/dbraw/zinc/15/33/67/432153367.db2.gz SFFBNAPQBDBCNN-HNNXBMFYSA-N -1 3 320.396 3.204 10 0 DGAEHM COc1ccc(-c2noc(-c3cc(-c4ccc(C)o4)[n-]n3)n2)cn1 ZINC000171802998 432173857 /nfs/dbraw/zinc/17/38/57/432173857.db2.gz XDIUUKXVLTVNRV-UHFFFAOYSA-N -1 3 323.312 3.099 10 0 DGAEHM COc1ccc(-c2noc(-c3cc(-c4ccc(C)o4)n[n-]3)n2)cn1 ZINC000171802998 432173858 /nfs/dbraw/zinc/17/38/58/432173858.db2.gz XDIUUKXVLTVNRV-UHFFFAOYSA-N -1 3 323.312 3.099 10 0 DGAEHM Cc1cc(C(=O)Nc2cc(F)ccc2[O-])nn1-c1ccccc1 ZINC000174883513 228294941 /nfs/dbraw/zinc/29/49/41/228294941.db2.gz XIKSQLVEDXYBAP-UHFFFAOYSA-N -1 3 311.316 3.278 10 0 DGAEHM CCOC(=O)c1cc(NC(=O)CC/C=C\c2ccccc2)n[n-]1 ZINC000539746519 424856586 /nfs/dbraw/zinc/85/65/86/424856586.db2.gz FERGTEHJYFMSJI-POHAHGRESA-N -1 3 313.357 3.019 10 0 DGAEHM CCOC(=O)c1cc(NC(=O)CC/C=C\c2ccccc2)[n-]n1 ZINC000539746519 424856587 /nfs/dbraw/zinc/85/65/87/424856587.db2.gz FERGTEHJYFMSJI-POHAHGRESA-N -1 3 313.357 3.019 10 0 DGAEHM CC(C)c1nc2c([nH]1)C[C@@H](C(=O)Nc1cc(F)ccc1[O-])CC2 ZINC000369573697 271295788 /nfs/dbraw/zinc/29/57/88/271295788.db2.gz AGBSJXOWZWZYEJ-JTQLQIEISA-N -1 3 317.364 3.121 10 0 DGAEHM CC(C)c1nc2c([nH]1)CC[C@H](C(=O)Nc1cc(F)ccc1[O-])C2 ZINC000369573697 271295789 /nfs/dbraw/zinc/29/57/89/271295789.db2.gz AGBSJXOWZWZYEJ-JTQLQIEISA-N -1 3 317.364 3.121 10 0 DGAEHM CC(C)c1ccc(C(=O)N2CC[C@H](C(C)(C)C)[C@H](O)C2)c([O-])c1 ZINC000408415036 278027023 /nfs/dbraw/zinc/02/70/23/278027023.db2.gz MZZOVJQVJDODBE-DOTOQJQBSA-N -1 3 319.445 3.385 10 0 DGAEHM O=[S@](Cc1coc(-c2ccc(F)cc2)n1)c1ccc([O-])cc1 ZINC000108084376 431118087 /nfs/dbraw/zinc/11/80/87/431118087.db2.gz BTNVAKVORRFJEQ-QFIPXVFZSA-N -1 3 317.341 3.494 10 0 DGAEHM Cc1[nH]c2ccc(C(=O)[O-])cc2c(=O)c1CN1CCC(C)CC1 ZINC000008713942 431406250 /nfs/dbraw/zinc/40/62/50/431406250.db2.gz QZHPECMVPKVTQG-UHFFFAOYSA-N -1 3 314.385 3.179 10 0 DGAEHM CC(=O)c1cnc([N-]C(=O)c2coc(-c3ccccc3)n2)s1 ZINC000119144867 431654268 /nfs/dbraw/zinc/65/42/68/431654268.db2.gz YFUXFGYPYZLLQT-UHFFFAOYSA-N -1 3 313.338 3.253 10 0 DGAEHM Cn1ccnc1-c1cc(NC(=O)CC/C=C/c2ccccc2)n[n-]1 ZINC000119283811 431672196 /nfs/dbraw/zinc/67/21/96/431672196.db2.gz RWZHURPILSENGU-WEVVVXLNSA-N -1 3 321.384 3.242 10 0 DGAEHM Cn1ccnc1-c1cc(NC(=O)CC/C=C/c2ccccc2)[n-]n1 ZINC000119283811 431672200 /nfs/dbraw/zinc/67/22/00/431672200.db2.gz RWZHURPILSENGU-WEVVVXLNSA-N -1 3 321.384 3.242 10 0 DGAEHM CC[C@@H](CC(=O)Nc1cc(-c2nccn2C)[n-]n1)c1ccccc1 ZINC000119545113 431704617 /nfs/dbraw/zinc/70/46/17/431704617.db2.gz GZQLQBKIUMUOOM-ZDUSSCGKSA-N -1 3 323.400 3.333 10 0 DGAEHM CC[C@@H](CC(=O)Nc1cc(-c2nccn2C)n[n-]1)c1ccccc1 ZINC000119545113 431704623 /nfs/dbraw/zinc/70/46/23/431704623.db2.gz GZQLQBKIUMUOOM-ZDUSSCGKSA-N -1 3 323.400 3.333 10 0 DGAEHM COc1ccsc1S(=O)(=O)[N-]C1CCC(C)(C)CC1 ZINC000121601425 431804099 /nfs/dbraw/zinc/80/40/99/431804099.db2.gz TXWCFHUICCILCF-UHFFFAOYSA-N -1 3 303.449 3.004 10 0 DGAEHM CCC(=O)NCC[C@@H]1CCc2cc(Br)c([O-])cc21 ZINC000034629121 431819775 /nfs/dbraw/zinc/81/97/75/431819775.db2.gz FCIPPXPPFSLFJC-VIFPVBQESA-N -1 3 312.207 3.101 10 0 in-vitro DGAEHM COc1cccc(C(=O)[N-]c2nnc(C(C)(C)C)s2)c1F ZINC000090371679 431891021 /nfs/dbraw/zinc/89/10/21/431891021.db2.gz GRJBTXSJZVFIBA-UHFFFAOYSA-N -1 3 309.366 3.236 10 0 DGAEHM CSc1ccccc1NCc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000090371158 431891051 /nfs/dbraw/zinc/89/10/51/431891051.db2.gz NGJMXARAGQIUME-UHFFFAOYSA-N -1 3 315.320 3.123 10 0 DGAEHM Cc1csc([C@@H]2CCCN(C(=O)c3ccccc3[O-])C2)n1 ZINC000173752282 432297866 /nfs/dbraw/zinc/29/78/66/432297866.db2.gz GWPZSRBKRPLLJH-GFCCVEGCSA-N -1 3 302.399 3.177 10 0 DGAEHM Cc1nc(C(F)(F)F)c(C[S@@](=O)c2cccc([O-])c2)s1 ZINC000183700069 432317712 /nfs/dbraw/zinc/31/77/12/432317712.db2.gz HDZRQPABKSKWKM-HXUWFJFHSA-N -1 3 321.345 3.484 10 0 DGAEHM CC(C)(C)c1nc(CS(=O)(=O)c2cccc([O-])c2)cs1 ZINC000183991245 432344003 /nfs/dbraw/zinc/34/40/03/432344003.db2.gz YLFOBLBYMBGRFS-UHFFFAOYSA-N -1 3 311.428 3.120 10 0 DGAEHM C[C@H](C[N-]S(=O)(=O)c1cccs1)c1ccc(F)cc1F ZINC000174005081 432313676 /nfs/dbraw/zinc/31/36/76/432313676.db2.gz OGQLBNYAHOYVRB-SECBINFHSA-N -1 3 317.382 3.108 10 0 DGAEHM CC(C)c1noc2ncc(C(=O)Nc3cc(F)ccc3[O-])cc21 ZINC000174870724 432375415 /nfs/dbraw/zinc/37/54/15/432375415.db2.gz LHRDHTQLGZUVMO-UHFFFAOYSA-N -1 3 315.304 3.443 10 0 DGAEHM CO[C@@H](C)c1nc(C)c(C(=O)Nc2ccc(C)cc2[O-])s1 ZINC000175001749 432389379 /nfs/dbraw/zinc/38/93/79/432389379.db2.gz JKQVJFZOTGEQGN-JTQLQIEISA-N -1 3 306.387 3.425 10 0 DGAEHM COc1cccc(F)c1[C@@H](C)N[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000192738024 432407979 /nfs/dbraw/zinc/40/79/79/432407979.db2.gz IGLWNOAKUDKTBS-GHMZBOCLSA-N -1 3 305.353 3.050 10 0 DGAEHM COc1ccccc1-c1nc(NC(=O)[C@H](C)CC(C)C)n[n-]1 ZINC000184704700 432424677 /nfs/dbraw/zinc/42/46/77/432424677.db2.gz PNTSPKUCUQZIQE-LLVKDONJSA-N -1 3 302.378 3.101 10 0 DGAEHM COc1cccc(C(=O)NCc2ccc(SC)cc2)c1[O-] ZINC000194302013 432539788 /nfs/dbraw/zinc/53/97/88/432539788.db2.gz HXGAXXCHAKSXQX-UHFFFAOYSA-N -1 3 303.383 3.053 10 0 DGAEHM COc1cccc(-c2nsc([N-]C(=O)c3coc(C)c3)n2)c1 ZINC000186810567 432631602 /nfs/dbraw/zinc/63/16/02/432631602.db2.gz YFUQSRIMTNVLPG-UHFFFAOYSA-N -1 3 315.354 3.367 10 0 DGAEHM O=C(c1cc([O-])ccc1Cl)N1CCC[C@@H](C(F)(F)F)C1 ZINC000236606087 432751589 /nfs/dbraw/zinc/75/15/89/432751589.db2.gz PNQHYSBZPAJTPF-MRVPVSSYSA-N -1 3 307.699 3.460 10 0 DGAEHM Cc1n[nH]c(C)c1NC(=O)c1c[n-]c2c(C)cc(C)cc2c1=O ZINC000162459617 432824518 /nfs/dbraw/zinc/82/45/18/432824518.db2.gz OINVIVYPWLRPGF-UHFFFAOYSA-N -1 3 310.357 3.149 10 0 DGAEHM CCc1cccc(CC(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)c1 ZINC000162490662 432824788 /nfs/dbraw/zinc/82/47/88/432824788.db2.gz QTHTWIWXOWBLBL-UHFFFAOYSA-N -1 3 310.357 3.117 10 0 DGAEHM CCc1cccc(CC(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)c1 ZINC000162490662 432824793 /nfs/dbraw/zinc/82/47/93/432824793.db2.gz QTHTWIWXOWBLBL-UHFFFAOYSA-N -1 3 310.357 3.117 10 0 DGAEHM CCc1cccc(CC(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)c1 ZINC000162490662 432824795 /nfs/dbraw/zinc/82/47/95/432824795.db2.gz QTHTWIWXOWBLBL-UHFFFAOYSA-N -1 3 310.357 3.117 10 0 DGAEHM CC(=O)c1ccc(C(=O)N(CC(F)F)CC2CCC2)cc1[O-] ZINC000412213022 433106514 /nfs/dbraw/zinc/10/65/14/433106514.db2.gz DLNIAFPAZOMAIQ-UHFFFAOYSA-N -1 3 311.328 3.102 10 0 DGAEHM C[C@H]([N-]S(=O)(=O)c1cccc2ccccc21)C(F)(F)F ZINC000341894568 433344175 /nfs/dbraw/zinc/34/41/75/433344175.db2.gz GKPVEHPTIZVQJZ-VIFPVBQESA-N -1 3 303.305 3.069 10 0 DGAEHM CC1(C)[C@H](NC(=O)c2cc([O-])c3ccccc3c2)[C@@H]2CCO[C@@H]21 ZINC000376098397 433664064 /nfs/dbraw/zinc/66/40/64/433664064.db2.gz SPTMWNFBCIAXKH-UAGQMJEPSA-N -1 3 311.381 3.089 10 0 DGAEHM O=C(c1cc([O-])c2ccccc2c1)N1CC[C@H]([C@@H]2CCOC2)C1 ZINC000376239289 433697947 /nfs/dbraw/zinc/69/79/47/433697947.db2.gz KIQHHJHVFMXCPP-LSDHHAIUSA-N -1 3 311.381 3.044 10 0 DGAEHM COC(=O)c1cc2cc(NC(=O)c3cccc([O-])c3)ccc2o1 ZINC000357265758 433931391 /nfs/dbraw/zinc/93/13/91/433931391.db2.gz XJRPUDLXCQHFCU-UHFFFAOYSA-N -1 3 311.293 3.177 10 0 DGAEHM CCOc1nc2cc(C(=O)N[C@H]3CCCC(F)(F)C3)ccc2[n-]1 ZINC000450155038 433999980 /nfs/dbraw/zinc/99/99/80/433999980.db2.gz GBFPARXXTZZSFX-NSHDSACASA-N -1 3 323.343 3.269 10 0 DGAEHM CCOc1nc2ccc(C(=O)N[C@H]3CCCC(F)(F)C3)cc2[n-]1 ZINC000450155038 433999992 /nfs/dbraw/zinc/99/99/92/433999992.db2.gz GBFPARXXTZZSFX-NSHDSACASA-N -1 3 323.343 3.269 10 0 DGAEHM Cc1ccc([O-])c(-c2nc(-c3cn(C)nc3C(F)(F)F)no2)c1 ZINC000436781916 434105568 /nfs/dbraw/zinc/10/55/68/434105568.db2.gz VVSLNWSASGATFR-UHFFFAOYSA-N -1 3 324.262 3.170 10 0 DGAEHM Cc1cccc(-c2nc(-c3cn(C)nc3C(F)(F)F)no2)c1[O-] ZINC000436780150 434107637 /nfs/dbraw/zinc/10/76/37/434107637.db2.gz NPQDUBWKCMMRQC-UHFFFAOYSA-N -1 3 324.262 3.170 10 0 DGAEHM CCOC(=O)CN(C(=O)c1ccc(C(C)C)cc1[O-])C1CCC1 ZINC000436818415 434121381 /nfs/dbraw/zinc/12/13/81/434121381.db2.gz UYQJYIXIEFLLAK-UHFFFAOYSA-N -1 3 319.401 3.073 10 0 DGAEHM Cc1cc(NC(=O)c2cccc([O-])c2)nn1-c1cc(C)cc(C)c1 ZINC000509496641 294353985 /nfs/dbraw/zinc/35/39/85/294353985.db2.gz XWCXHFAPNPFNBI-UHFFFAOYSA-N -1 3 321.380 3.177 10 0 DGAEHM O=C(Nc1nnc(C2CCC2)[nH]1)c1cc2ccccc2cc1[O-] ZINC000436958584 434183962 /nfs/dbraw/zinc/18/39/62/434183962.db2.gz BJMPYPTWLDICBK-UHFFFAOYSA-N -1 3 308.341 3.183 10 0 DGAEHM CC(C)c1nc2c([nH]1)C[C@@H](C(=O)Nc1ccc([O-])cc1F)CC2 ZINC000527005851 295069949 /nfs/dbraw/zinc/06/99/49/295069949.db2.gz BAEFSOOBLMRPCY-JTQLQIEISA-N -1 3 317.364 3.121 10 0 DGAEHM CC(C)c1nc2c([nH]1)CC[C@H](C(=O)Nc1ccc([O-])cc1F)C2 ZINC000527005851 295069950 /nfs/dbraw/zinc/06/99/50/295069950.db2.gz BAEFSOOBLMRPCY-JTQLQIEISA-N -1 3 317.364 3.121 10 0 DGAEHM c1sc(-c2ccncc2)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000408500642 434582009 /nfs/dbraw/zinc/58/20/09/434582009.db2.gz PBLFCGVEQSLBJF-UHFFFAOYSA-N -1 3 306.354 3.052 10 0 DGAEHM c1sc(-c2ccncc2)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000408500642 434582014 /nfs/dbraw/zinc/58/20/14/434582014.db2.gz PBLFCGVEQSLBJF-UHFFFAOYSA-N -1 3 306.354 3.052 10 0 DGAEHM COc1cc(C(=O)NCC2CCCCCC2)cc(OC)c1[O-] ZINC000452797924 434719211 /nfs/dbraw/zinc/71/92/11/434719211.db2.gz WDOSPNULSSAPLQ-UHFFFAOYSA-N -1 3 307.390 3.110 10 0 DGAEHM CC(=O)c1ccc(C(=O)[N-]c2nc(-c3ccccn3)cs2)o1 ZINC000446047914 434845683 /nfs/dbraw/zinc/84/56/83/434845683.db2.gz ZLRGJIHSNORIKO-UHFFFAOYSA-N -1 3 313.338 3.253 10 0 DGAEHM COC(=O)Cc1c(C(F)(F)F)cc([O-])cc1C(F)(F)F ZINC000575340576 435030501 /nfs/dbraw/zinc/03/05/01/435030501.db2.gz OQUBFHKNKJZKGU-UHFFFAOYSA-N -1 3 302.170 3.145 10 0 DGAEHM [O-]c1cc(OC(F)F)cc(Br)c1OC(F)F ZINC000575676287 435042716 /nfs/dbraw/zinc/04/27/16/435042716.db2.gz OGTMEMXPTLIVKH-UHFFFAOYSA-N -1 3 305.021 3.358 10 0 DGAEHM Cc1ccc(Br)c(I)c1[O-] ZINC000575693415 435045745 /nfs/dbraw/zinc/04/57/45/435045745.db2.gz UEOSVUPSQMRNCV-UHFFFAOYSA-N -1 3 312.932 3.068 10 0 DGAEHM CCc1cccc(C(=O)NCc2ccccc2-n2cccn2)c1[O-] ZINC000532803473 435195581 /nfs/dbraw/zinc/19/55/81/435195581.db2.gz QRIRRTFRANRFGL-UHFFFAOYSA-N -1 3 321.380 3.070 10 0 DGAEHM Cc1ccc(-c2noc(C[S@@](=O)c3cccc([O-])c3)n2)cc1 ZINC000541760313 314037179 /nfs/dbraw/zinc/03/71/79/314037179.db2.gz GEYRDSQCNQCLFL-JOCHJYFZSA-N -1 3 314.366 3.058 10 0 DGAEHM C[C@@H]1CCN(C(=O)c2cccc3[n-]nnc32)[C@H]1c1cccc(F)c1 ZINC000180111178 323221543 /nfs/dbraw/zinc/22/15/43/323221543.db2.gz ZKAFJOSIPYLTNP-PIGZYNQJSA-N -1 3 324.359 3.320 10 0 DGAEHM C[C@@H]1CCN(C(=O)c2cccc3nn[n-]c32)[C@H]1c1cccc(F)c1 ZINC000180111178 323221546 /nfs/dbraw/zinc/22/15/46/323221546.db2.gz ZKAFJOSIPYLTNP-PIGZYNQJSA-N -1 3 324.359 3.320 10 0 DGAEHM C[C@@H]1CCN(C(=O)c2cccc3n[n-]nc32)[C@H]1c1cccc(F)c1 ZINC000180111178 323221550 /nfs/dbraw/zinc/22/15/50/323221550.db2.gz ZKAFJOSIPYLTNP-PIGZYNQJSA-N -1 3 324.359 3.320 10 0 DGAEHM CCc1cc(N2CCC[C@H]2c2nc(C(=O)[O-])cs2)ccn1 ZINC000582549234 324244789 /nfs/dbraw/zinc/24/47/89/324244789.db2.gz QPMIKEFAVCSFDR-ZDUSSCGKSA-N -1 3 303.387 3.140 10 0 DGAEHM O=c1[nH]c2nccnc2c([O-])c1-c1ccccc1OC(F)(F)F ZINC000584652894 337381175 /nfs/dbraw/zinc/38/11/75/337381175.db2.gz UBVBYPHSTDUKQV-UHFFFAOYSA-N -1 3 323.230 3.002 10 0 DGAEHM O=c1c2nccnc2[nH]c([O-])c1-c1ccccc1OC(F)(F)F ZINC000584652894 337381176 /nfs/dbraw/zinc/38/11/76/337381176.db2.gz UBVBYPHSTDUKQV-UHFFFAOYSA-N -1 3 323.230 3.002 10 0 DGAEHM CC[C@H]1CN(c2ccccc2)CCN1C(=O)c1ccccc1[O-] ZINC000183628826 529301607 /nfs/dbraw/zinc/30/16/07/529301607.db2.gz FORPEMDVJKNMFO-HNNXBMFYSA-N -1 3 310.397 3.133 10 0 DGAEHM CCc1cc(=O)[n-]c(CN[C@@H](C)c2ccc(F)c(Cl)c2)n1 ZINC000180724961 546148006 /nfs/dbraw/zinc/14/80/06/546148006.db2.gz MZHIYOGAVBLOPX-VIFPVBQESA-N -1 3 309.772 3.388 10 0 DGAEHM CC1(C)CCCN[C@H]1C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000232950099 546276516 /nfs/dbraw/zinc/27/65/16/546276516.db2.gz NDTKIUBSEFCNCC-LBPRGKRZSA-N -1 3 317.216 3.416 10 0 DGAEHM C[C@@H](Cc1ccccc1)C(=O)Nc1n[n-]c(-c2cccs2)n1 ZINC000732553296 574575791 /nfs/dbraw/zinc/57/57/91/574575791.db2.gz BSTZMIAHWYYUFX-NSHDSACASA-N -1 3 312.398 3.351 10 0 DGAEHM C[C@]1(C(F)(F)F)CCN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000709339639 660928122 /nfs/dbraw/zinc/92/81/22/660928122.db2.gz HDQBCPFKBZCSCT-LBPRGKRZSA-N -1 3 307.699 3.460 10 0 DGAEHM COc1ccccc1[N-]S(=O)(=O)/C=C\c1ccc(F)cc1 ZINC000255638344 655885490 /nfs/dbraw/zinc/88/54/90/655885490.db2.gz PMZWNUSHJKPOFV-KHPPLWFESA-N -1 3 307.346 3.247 10 0 DGAEHM CO[C@H](C)c1cccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)c1 ZINC000171012767 659255193 /nfs/dbraw/zinc/25/51/93/659255193.db2.gz HRCNBLKDWTXERQ-PBSOMRJOSA-N -1 3 322.364 3.117 10 0 DGAEHM C[C@]1(C(=O)[O-])CCCN1Cc1cccc(F)c1Br ZINC000156972912 661865387 /nfs/dbraw/zinc/86/53/87/661865387.db2.gz KEOGWYQSYDUISI-CYBMUJFWSA-N -1 3 316.170 3.027 10 0 DGAEHM CCC(CC)(CC)C[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000391347825 1176511409 /nfs/dbraw/zinc/51/14/09/1176511409.db2.gz FTLQVIWHXFEMGY-UHFFFAOYSA-N -1 3 322.833 3.369 10 0 DGAEHM CCC[C@@H]([N-]S(=O)(=O)c1cnc(Cl)c(F)c1)C1CCC1 ZINC000324848879 1197693489 /nfs/dbraw/zinc/69/34/89/1197693489.db2.gz DSTVWNKJIYHNJT-GFCCVEGCSA-N -1 3 320.817 3.121 10 0 DGAEHM Cc1ccc(C(=O)Nc2cnc(Br)c(C)c2)c([O-])c1 ZINC000235878169 1202604830 /nfs/dbraw/zinc/60/48/30/1202604830.db2.gz GTCCTFNTSGOVKN-UHFFFAOYSA-N -1 3 321.174 3.419 10 0 DGAEHM Cc1cc(=O)[n-]c([C@H](C)N2CCC(Oc3ccccc3)CC2)n1 ZINC000192554617 1203289774 /nfs/dbraw/zinc/28/97/74/1203289774.db2.gz MOLYZEBCCNRPHJ-AWEZNQCLSA-N -1 3 313.401 3.095 10 0 DGAEHM CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000312331156 1094980336 /nfs/dbraw/zinc/98/03/36/1094980336.db2.gz AGRSGNLNQBNUMO-BXKDBHETSA-N -1 3 320.817 3.121 10 0 DGAEHM [O-]c1nc(NCc2ccccc2)sc1Cc1ccc(F)cc1 ZINC000090558296 185303105 /nfs/dbraw/zinc/30/31/05/185303105.db2.gz IAWDAYHLBQUENH-OAHLLOKOSA-N -1 3 314.385 3.156 10 0 DGAEHM O=C(/C=C/c1cncc([O-])c1)N[C@H]1CCc2cc(Cl)ccc21 ZINC000179451640 432059203 /nfs/dbraw/zinc/05/92/03/432059203.db2.gz NAPPIDQKOCUEKI-PUUJXSFGSA-N -1 3 314.772 3.258 10 0 DGAEHM CO[C@@H](C)c1nc(C)c(C(=O)Nc2c(C)cccc2[O-])s1 ZINC000179553348 432062241 /nfs/dbraw/zinc/06/22/41/432062241.db2.gz UESPIJCODXMOIU-JTQLQIEISA-N -1 3 306.387 3.425 10 0 DGAEHM O=C(Nc1ccc(Cl)cc1[O-])[C@H]1CCCN1c1nccs1 ZINC000179638257 432065777 /nfs/dbraw/zinc/06/57/77/432065777.db2.gz LJOOHSKFXZAPLE-LLVKDONJSA-N -1 3 323.805 3.110 10 0 DGAEHM CCc1cccc(C)c1NCc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000090371350 192921895 /nfs/dbraw/zinc/92/18/95/192921895.db2.gz HXVGOZRDKSYLEL-UHFFFAOYSA-N -1 3 311.307 3.272 10 0 DGAEHM Cc1cc([N-]C(=O)[C@@H](C)Nc2cc(F)ccc2OC(C)C)on1 ZINC000171124153 432104402 /nfs/dbraw/zinc/10/44/02/432104402.db2.gz HHTVXZZXWMEZCM-LLVKDONJSA-N -1 3 321.352 3.348 10 0 DGAEHM C[C@@H]1C[C@@H](CC(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)CC(C)(C)C1 ZINC000473853034 244352837 /nfs/dbraw/zinc/35/28/37/244352837.db2.gz CSRLFFPMUNSBPI-VNHYZAJKSA-N -1 3 319.449 3.474 10 0 DGAEHM COc1cccc(C(=O)N(C)Cc2ccc(Cl)c(F)c2)c1[O-] ZINC000123053038 284231556 /nfs/dbraw/zinc/23/15/56/284231556.db2.gz VZLKIBKOAXOYSX-UHFFFAOYSA-N -1 3 323.751 3.466 10 0 DGAEHM O=C(Cc1ccc(Br)s1)Nc1ccccc1[O-] ZINC000127482279 284341364 /nfs/dbraw/zinc/34/13/64/284341364.db2.gz PBDQPSNCKCKNPV-UHFFFAOYSA-N -1 3 312.188 3.397 10 0 DGAEHM Cc1ccc([O-])c(C(=O)Nc2ccc(Br)cn2)c1 ZINC000020304803 182204633 /nfs/dbraw/zinc/20/46/33/182204633.db2.gz ADRUPCRZYGVLFG-UHFFFAOYSA-N -1 3 307.147 3.110 10 0 DGAEHM Cc1cccc(C(=O)Nc2ccncc2Br)c1[O-] ZINC000147610064 284530356 /nfs/dbraw/zinc/53/03/56/284530356.db2.gz VIMUEMQYAXBQDU-UHFFFAOYSA-N -1 3 307.147 3.110 10 0 DGAEHM CCCCOc1ccc(C(=O)N2CCS[C@H](C)C2)c([O-])c1 ZINC000190298945 432142009 /nfs/dbraw/zinc/14/20/09/432142009.db2.gz LWBHREHYJVRPDU-GFCCVEGCSA-N -1 3 309.431 3.149 10 0 DGAEHM Cc1c(Cl)ccc2c(=O)c(C(=O)Nc3nccs3)c[n-]c12 ZINC000040359329 183057410 /nfs/dbraw/zinc/05/74/10/183057410.db2.gz SHUZUKXLBNKJPY-UHFFFAOYSA-N -1 3 319.773 3.199 10 0 DGAEHM Cc1ccc(CNc2ncnc([N-]c3nccs3)c2N)cc1 ZINC000040780831 183132887 /nfs/dbraw/zinc/13/28/87/183132887.db2.gz QWUUBGOOUGTXKU-UHFFFAOYSA-N -1 3 312.402 3.179 10 0 DGAEHM Nc1c([N-]c2nccs2)ncnc1NCc1ccc(F)cc1 ZINC000040780946 183133093 /nfs/dbraw/zinc/13/30/93/183133093.db2.gz JZYCUHRHSTZLGE-UHFFFAOYSA-N -1 3 316.365 3.010 10 0 DGAEHM Cc1csc(NC(=O)c2c[n-]c3cc(Cl)ccc3c2=O)n1 ZINC000041056067 183160238 /nfs/dbraw/zinc/16/02/38/183160238.db2.gz RRUSAPCLCNXTIV-UHFFFAOYSA-N -1 3 319.773 3.199 10 0 DGAEHM Cc1csc(NC(=O)c2cnc3cc(Cl)ccc3c2[O-])n1 ZINC000041056067 183160240 /nfs/dbraw/zinc/16/02/40/183160240.db2.gz RRUSAPCLCNXTIV-UHFFFAOYSA-N -1 3 319.773 3.199 10 0 DGAEHM COc1ccc(-c2cc(=O)[n-]c(Nc3cccc(F)c3)n2)cc1 ZINC000041595672 183207782 /nfs/dbraw/zinc/20/77/82/183207782.db2.gz CDUBKOOGQRYNRF-UHFFFAOYSA-N -1 3 311.316 3.328 10 0 DGAEHM O=C(NC[C@H]1C[C@H]1c1ccccc1)c1c[n-]c2ccccc2c1=O ZINC000111047823 194387488 /nfs/dbraw/zinc/38/74/88/194387488.db2.gz HOHHDCSCFXXDJW-ZBFHGGJFSA-N -1 3 318.376 3.062 10 0 DGAEHM COc1ccc(Nc2nc(-c3ccccc3)cc(=O)[n-]2)cc1F ZINC000057341601 184034379 /nfs/dbraw/zinc/03/43/79/184034379.db2.gz HCSFWKCHZVJHHV-UHFFFAOYSA-N -1 3 311.316 3.328 10 0 DGAEHM O=c1cc(C(F)(F)F)nc(NCCc2ccccc2Cl)[n-]1 ZINC000057342551 184034545 /nfs/dbraw/zinc/03/45/45/184034545.db2.gz ZGEKUSBYDICCSX-UHFFFAOYSA-N -1 3 317.698 3.097 10 0 DGAEHM C[C@H](NCc1ccc([O-])c(Br)c1)c1ccncc1 ZINC000057987321 184064632 /nfs/dbraw/zinc/06/46/32/184064632.db2.gz WALKJFKZZNEWEA-JTQLQIEISA-N -1 3 307.191 3.401 10 0 DGAEHM CCC1=C[C@H]2CN3CCc4c5ccccc5[nH]c4[C@@](C(=O)[O-])(C2)[C@H]13 ZINC000065735410 184378003 /nfs/dbraw/zinc/37/80/03/184378003.db2.gz QTHYWTOIDWEUIY-OACQNMCBSA-N -1 3 322.408 3.087 10 0 in-vitro DGAEHM CC(=O)c1c[nH]c(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])c1 ZINC000337643121 253152847 /nfs/dbraw/zinc/15/28/47/253152847.db2.gz FWIIFOQHXDTMCH-UHFFFAOYSA-N -1 3 300.358 3.473 10 0 DGAEHM CCc1cc(=O)[n-]c(CN(C)Cc2ccc(F)cc2Cl)n1 ZINC000120407995 195160868 /nfs/dbraw/zinc/16/08/68/195160868.db2.gz RWZBJKUTQNNWIL-UHFFFAOYSA-N -1 3 309.772 3.169 10 0 DGAEHM O=C([O-])c1ccc([C@@H]2CCOCCN2Cc2ccccc2)cc1 ZINC000616598187 400181352 /nfs/dbraw/zinc/18/13/52/400181352.db2.gz MGWMKRBFBNLBPG-SFHVURJKSA-N -1 3 311.381 3.348 10 0 DGAEHM Cc1ccc(Cl)c(NCc2nc(C(F)(F)F)cc(=O)[n-]2)c1 ZINC000092216237 545844326 /nfs/dbraw/zinc/84/43/26/545844326.db2.gz QRBDGDJGQFMBAY-UHFFFAOYSA-N -1 3 317.698 3.363 10 0 DGAEHM O=C(c1c[n-]nc1-c1ccc(F)cc1)N1CCc2ccccc21 ZINC000021278904 400193309 /nfs/dbraw/zinc/19/33/09/400193309.db2.gz DTDSPBGDKFHSHG-UHFFFAOYSA-N -1 3 307.328 3.419 10 0 DGAEHM O=C1Nc2ccccc2C[C@@H]1c1cc(Br)ccc1[O-] ZINC000034501534 400385833 /nfs/dbraw/zinc/38/58/33/400385833.db2.gz NUPSDFHIVJJEBQ-GFCCVEGCSA-N -1 3 318.170 3.433 10 0 DGAEHM CCOC(=O)c1cc(Br)cc(C(F)(F)F)c1[O-] ZINC000044201074 400485676 /nfs/dbraw/zinc/48/56/76/400485676.db2.gz IUSZNINOTAZUHG-UHFFFAOYSA-N -1 3 313.069 3.350 10 0 DGAEHM Fc1ccc(Cn2ccc3cc(-c4nnn[n-]4)ccc32)c(F)c1 ZINC000164835085 400751056 /nfs/dbraw/zinc/75/10/56/400751056.db2.gz RFTKSYBDDQZJII-UHFFFAOYSA-N -1 3 311.295 3.148 10 0 DGAEHM Fc1ccc(Cn2ccc3cc(-c4nn[n-]n4)ccc32)c(F)c1 ZINC000164835085 400751059 /nfs/dbraw/zinc/75/10/59/400751059.db2.gz RFTKSYBDDQZJII-UHFFFAOYSA-N -1 3 311.295 3.148 10 0 DGAEHM CC(=O)c1ccc(C(=O)N2CC(Cc3ccc(C)cc3)C2)cc1[O-] ZINC000618894559 400712556 /nfs/dbraw/zinc/71/25/56/400712556.db2.gz IVIRVTIYYITTGD-UHFFFAOYSA-N -1 3 323.392 3.218 10 0 DGAEHM CO[C@@H](C)c1cccc(NC(=O)c2c[n-]c3ccccc3c2=O)c1 ZINC000171055568 400783929 /nfs/dbraw/zinc/78/39/29/400783929.db2.gz IHAJMKCRAIQVNG-LBPRGKRZSA-N -1 3 322.364 3.488 10 0 DGAEHM CO[C@@H](C)c1cccc(NC(=O)c2cnc3ccccc3c2[O-])c1 ZINC000171055568 400783934 /nfs/dbraw/zinc/78/39/34/400783934.db2.gz IHAJMKCRAIQVNG-LBPRGKRZSA-N -1 3 322.364 3.488 10 0 DGAEHM CCCc1ccc(N)cc1NC(=O)c1c[n-]c2ccccc2c1=O ZINC000059083653 401089048 /nfs/dbraw/zinc/08/90/48/401089048.db2.gz WORRMKOPLJHZOG-UHFFFAOYSA-N -1 3 321.380 3.315 10 0 DGAEHM CCCc1ccc(N)cc1NC(=O)c1cnc2ccccc2c1[O-] ZINC000059083653 401089056 /nfs/dbraw/zinc/08/90/56/401089056.db2.gz WORRMKOPLJHZOG-UHFFFAOYSA-N -1 3 321.380 3.315 10 0 DGAEHM CC(=O)c1cccc(NC(=O)C(C)(C)[C@@H]2CCCCO2)c1[O-] ZINC000633073113 401649228 /nfs/dbraw/zinc/64/92/28/401649228.db2.gz SJWMGLMYCWMOCM-AWEZNQCLSA-N -1 3 305.374 3.129 10 0 DGAEHM CC(C)(C)C1CCN(C(=O)c2c[n-]c3ccccc3c2=O)CC1 ZINC000172297888 432207030 /nfs/dbraw/zinc/20/70/30/432207030.db2.gz VKVRRWMKGLVANV-UHFFFAOYSA-N -1 3 312.413 3.426 10 0 DGAEHM [O-]c1cncc(/C=C/c2nc(COc3ccc(F)cc3)no2)c1 ZINC000132032032 196220222 /nfs/dbraw/zinc/22/02/22/196220222.db2.gz MDGPFZYWSBOQMR-LZCJLJQNSA-N -1 3 313.288 3.059 10 0 DGAEHM C[C@@H]1CSCCN(C(=O)c2ccc3c(c2[O-])CCCC3)C1 ZINC000191229129 432236689 /nfs/dbraw/zinc/23/66/89/432236689.db2.gz DINOALHIBZMODM-LBPRGKRZSA-N -1 3 305.443 3.096 10 0 DGAEHM COc1cccc([C@H]2C[C@@H]2C(=O)N2CCCc3cccc([O-])c32)c1 ZINC000182915904 432241055 /nfs/dbraw/zinc/24/10/55/432241055.db2.gz RVMWGQFXBCNPRS-SJORKVTESA-N -1 3 323.392 3.484 10 0 DGAEHM Cc1ccc([C@@H](C)[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)o1 ZINC000172983351 432249856 /nfs/dbraw/zinc/24/98/56/432249856.db2.gz VOOJMPQDTRHSHK-MRVPVSSYSA-N -1 3 319.304 3.045 10 0 DGAEHM O=C(c1cc([O-])c2ccccc2c1)N1CCO[C@@H](c2ccco2)C1 ZINC000370049324 271337101 /nfs/dbraw/zinc/33/71/01/271337101.db2.gz HXZNOFYJSRBGPH-GOSISDBHSA-N -1 3 323.348 3.352 10 0 DGAEHM Cc1[nH]c2ccc(C(=O)[O-])cc2c(=O)c1CN1CCC[C@H](C)C1 ZINC000008713943 431405033 /nfs/dbraw/zinc/40/50/33/431405033.db2.gz JCBFGSKUXVEKHY-NSHDSACASA-N -1 3 314.385 3.179 10 0 DGAEHM CCN(C(=O)c1ccc(OC)cc1[O-])[C@H](C)c1cccnc1 ZINC000115229011 431441082 /nfs/dbraw/zinc/44/10/82/431441082.db2.gz ZQUSHFBPMOUDME-GFCCVEGCSA-N -1 3 300.358 3.019 10 0 DGAEHM Cc1cccc(C(=O)N(C)Cc2cnn(-c3ccccc3)c2)c1[O-] ZINC000078558073 431682670 /nfs/dbraw/zinc/68/26/70/431682670.db2.gz LFYQEWZRZNRBQT-UHFFFAOYSA-N -1 3 321.380 3.159 10 0 DGAEHM CCc1cc(=O)[n-]c(CN2CCCC[C@H]2c2ccc(C)o2)n1 ZINC000121460015 431789550 /nfs/dbraw/zinc/78/95/50/431789550.db2.gz KTRXNIUXQQCRFN-AWEZNQCLSA-N -1 3 301.390 3.373 10 0 DGAEHM CO[C@H](C)c1nc(C)c(C(=O)Nc2ccc([O-])cc2F)s1 ZINC000183251980 432274350 /nfs/dbraw/zinc/27/43/50/432274350.db2.gz FKJRSGLDYFRMTN-MRVPVSSYSA-N -1 3 310.350 3.256 10 0 DGAEHM CC[C@H](C)[C@@H](C)C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000183422829 432292831 /nfs/dbraw/zinc/29/28/31/432292831.db2.gz YGDOQQJGCPAPSS-WCQYABFASA-N -1 3 313.401 3.366 10 0 DGAEHM CC[C@@H](C)[C@@H](C)C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000183422815 432293224 /nfs/dbraw/zinc/29/32/24/432293224.db2.gz YGDOQQJGCPAPSS-DGCLKSJQSA-N -1 3 313.401 3.366 10 0 DGAEHM Cc1ccc(C(=O)Nc2cc(-c3nccn3C)[n-]n2)c(Cl)c1 ZINC000191960452 432319179 /nfs/dbraw/zinc/31/91/79/432319179.db2.gz OTNCIOHZSXQJTM-UHFFFAOYSA-N -1 3 315.764 3.024 10 0 DGAEHM Cc1ccc(C(=O)Nc2cc(-c3nccn3C)n[n-]2)c(Cl)c1 ZINC000191960452 432319185 /nfs/dbraw/zinc/31/91/85/432319185.db2.gz OTNCIOHZSXQJTM-UHFFFAOYSA-N -1 3 315.764 3.024 10 0 DGAEHM COC[C@H]([N-]S(=O)(=O)c1cccc(C(C)C)c1)c1ccco1 ZINC000175357550 432427896 /nfs/dbraw/zinc/42/78/96/432427896.db2.gz UUTJLRLMJDYEHR-HNNXBMFYSA-N -1 3 323.414 3.069 10 0 DGAEHM O=C(Nc1ccc2c(c1)CC(=O)N2)c1ccc2c(c1[O-])CCCC2 ZINC000186365776 432586729 /nfs/dbraw/zinc/58/67/29/432586729.db2.gz CTSSEBMJVBBGQV-UHFFFAOYSA-N -1 3 322.364 3.018 10 0 DGAEHM Cn1ccnc1-c1cc(NC(=O)CC2(C)CCCCC2)n[n-]1 ZINC000157496613 432623366 /nfs/dbraw/zinc/62/33/66/432623366.db2.gz KDHJNIGSTVQWPF-UHFFFAOYSA-N -1 3 301.394 3.109 10 0 DGAEHM Cn1ccnc1-c1cc(NC(=O)CC2(C)CCCCC2)[n-]n1 ZINC000157496613 432623368 /nfs/dbraw/zinc/62/33/68/432623368.db2.gz KDHJNIGSTVQWPF-UHFFFAOYSA-N -1 3 301.394 3.109 10 0 DGAEHM O=C(Cc1ccc([O-])cc1Cl)N[C@H]1CCOc2ccccc21 ZINC000178224423 432709402 /nfs/dbraw/zinc/70/94/02/432709402.db2.gz VKICVZHMZSCJBB-HNNXBMFYSA-N -1 3 317.772 3.228 10 0 DGAEHM CC(=O)c1ccsc1[N-]C(=O)c1noc2c1CCCCC2 ZINC000297838264 433023440 /nfs/dbraw/zinc/02/34/40/433023440.db2.gz MFYIUNALFOXEGO-UHFFFAOYSA-N -1 3 304.371 3.460 10 0 DGAEHM c1cc2sc(-c3nc(-c4ccc5n[n-]nc5c4)no3)cc2[nH]1 ZINC000350478089 433176039 /nfs/dbraw/zinc/17/60/39/433176039.db2.gz GZXKJUHNRGQYDI-UHFFFAOYSA-N -1 3 308.326 3.218 10 0 DGAEHM CC1(C)[C@H](NC(=O)c2cc([O-])c3ccccc3c2)[C@@H]2CCO[C@H]21 ZINC000376098398 293612677 /nfs/dbraw/zinc/61/26/77/293612677.db2.gz SPTMWNFBCIAXKH-USXIJHARSA-N -1 3 311.381 3.089 10 0 DGAEHM Cc1ccc([C@@H](C)CNC(=O)Cc2ccc([O-])c(F)c2)cc1 ZINC000449905402 433862735 /nfs/dbraw/zinc/86/27/35/433862735.db2.gz FMVIIQDSRAUYFK-ZDUSSCGKSA-N -1 3 301.361 3.302 10 0 DGAEHM C[C@@H]1CN(C(=O)c2cccc([O-])c2)[C@@H](C)CN1Cc1ccccc1 ZINC000357250729 433926050 /nfs/dbraw/zinc/92/60/50/433926050.db2.gz BMCPUYHNJTXLPZ-CVEARBPZSA-N -1 3 324.424 3.127 10 0 DGAEHM Cc1ccc(C(=O)N(C)[C@@H](C)Cc2ccc(O)cc2)c([O-])c1C ZINC000436593740 434025063 /nfs/dbraw/zinc/02/50/63/434025063.db2.gz DLEFZKZZELTSFF-ZDUSSCGKSA-N -1 3 313.397 3.418 10 0 DGAEHM CSCCCCNCc1cccc([O-])c1Br ZINC000315009901 434155034 /nfs/dbraw/zinc/15/50/34/434155034.db2.gz JKKYAVPACHAOGZ-UHFFFAOYSA-N -1 3 304.253 3.388 10 0 DGAEHM CC(C)[C@H]1CC[C@H](C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)CC1 ZINC000525967508 295046020 /nfs/dbraw/zinc/04/60/20/295046020.db2.gz OPGYBDXPTDSWNW-YDHLFZDLSA-N -1 3 305.422 3.084 10 0 DGAEHM C[C@@H](CC(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1)C1CCCCC1 ZINC000525967335 295046111 /nfs/dbraw/zinc/04/61/11/295046111.db2.gz DZKJPKRTUVQSLQ-WFASDCNBSA-N -1 3 305.422 3.228 10 0 DGAEHM COC(=O)Cc1c([O-])ccc(C(F)(F)F)c1C(F)(F)F ZINC000575381795 435033172 /nfs/dbraw/zinc/03/31/72/435033172.db2.gz SRQNXBYHBIFWBF-UHFFFAOYSA-N -1 3 302.170 3.145 10 0 DGAEHM CC(=O)c1cc([O-])cc(C(F)F)c1I ZINC000575669551 435042243 /nfs/dbraw/zinc/04/22/43/435042243.db2.gz BHMRTRLIXQYOQJ-UHFFFAOYSA-N -1 3 312.053 3.137 10 0 DGAEHM [O-]c1ccc(OC(F)F)c(OC(F)F)c1Br ZINC000575674225 435042667 /nfs/dbraw/zinc/04/26/67/435042667.db2.gz FAYYZBYOAKMXOG-UHFFFAOYSA-N -1 3 305.021 3.358 10 0 DGAEHM O=C(NCCC1(F)CCC1)c1cc([O-])cc(Br)c1 ZINC000529391853 313185038 /nfs/dbraw/zinc/18/50/38/313185038.db2.gz KMNXWVFCEGAGDB-UHFFFAOYSA-N -1 3 316.170 3.167 10 0 DGAEHM CC(=O)c1cccc(NC(=O)C2(c3ccc(F)cc3)CC2)c1[O-] ZINC000552288347 314609812 /nfs/dbraw/zinc/60/98/12/314609812.db2.gz PXYFKRJJGFOWPU-UHFFFAOYSA-N -1 3 313.328 3.404 10 0 DGAEHM CC(=O)c1c(C)cc(C)c(CN2CC[C@H](C)[C@H](C(=O)[O-])C2)c1C ZINC000580893378 324050188 /nfs/dbraw/zinc/05/01/88/324050188.db2.gz XBUHIZYCDYDOOE-APPDUMDISA-N -1 3 317.429 3.357 10 0 DGAEHM CC[C@H](CNCc1sccc1Br)CC(=O)[O-] ZINC000309665696 529362422 /nfs/dbraw/zinc/36/24/22/529362422.db2.gz HSDJNCFNTRKHMP-QMMMGPOBSA-N -1 3 306.225 3.101 10 0 DGAEHM CCc1ccc([O-])c(C(=O)N2CC[C@H](C(F)(F)F)[C@H]2C)c1 ZINC000473385554 536190861 /nfs/dbraw/zinc/19/08/61/536190861.db2.gz FPFHRDDNGSAIOI-SKDRFNHKSA-N -1 3 301.308 3.368 10 0 DGAEHM CCc1noc(C)c1[N-]C(=O)c1cc2c(C)nn(C)c2s1 ZINC000133179149 545966746 /nfs/dbraw/zinc/96/67/46/545966746.db2.gz HHYIRXSKLWKXQA-UHFFFAOYSA-N -1 3 304.375 3.054 10 0 DGAEHM COc1ccc(NC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)c([O-])c1 ZINC000443558661 546835475 /nfs/dbraw/zinc/83/54/75/546835475.db2.gz MOWMZSNTDHZKDD-DGCLKSJQSA-N -1 3 319.307 3.421 10 0 DGAEHM Cc1ccc([C@H](C)C[N-]S(=O)(=O)c2cccnc2Cl)cc1 ZINC000738403511 574867943 /nfs/dbraw/zinc/86/79/43/574867943.db2.gz MMYIJXUTTXKKMB-GFCCVEGCSA-N -1 3 324.833 3.125 10 0 DGAEHM Cc1cc(=O)[n-]c(CN[C@@H](C)c2ccccc2Br)n1 ZINC000700461866 660627759 /nfs/dbraw/zinc/62/77/59/660627759.db2.gz GGROCCCVGPXTAH-JTQLQIEISA-N -1 3 322.206 3.104 10 0 DGAEHM O=S(=O)(C=Cc1ccc(F)cc1)[N-]c1cccc2n[nH]cc21 ZINC000255205954 655646059 /nfs/dbraw/zinc/64/60/59/655646059.db2.gz GXVJVNRBVGHCSJ-HJWRWDBZSA-N -1 3 317.345 3.115 10 0 DGAEHM C[C@H](c1cccc(Br)c1)N1CC[C@H]2[C@@H](C1)[C@H]2C(=O)[O-] ZINC000721211538 658681975 /nfs/dbraw/zinc/68/19/75/658681975.db2.gz LUQNJVNIEIABSL-PCDDKUFXSA-N -1 3 324.218 3.163 10 0 DGAEHM CC[C@]1(C(=O)[O-])CCCN(Cc2cc(Cl)ccc2OC)C1 ZINC000062877517 659352807 /nfs/dbraw/zinc/35/28/07/659352807.db2.gz CAKNLEBLLSEWRN-INIZCTEOSA-N -1 3 311.809 3.425 10 0 DGAEHM Cc1ccc(C(=O)N[C@H](C)CCOCc2ccccc2)c([O-])c1 ZINC000390392067 1197712414 /nfs/dbraw/zinc/71/24/14/1197712414.db2.gz KPODORWRRMDGCZ-OAHLLOKOSA-N -1 3 313.397 3.426 10 0 DGAEHM CCCC1(C[N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)CC1 ZINC000233023382 1202602184 /nfs/dbraw/zinc/60/21/84/1202602184.db2.gz ACWFNBOQLKWPNJ-UHFFFAOYSA-N -1 3 323.245 3.247 10 0 DGAEHM COc1ccc(C(=O)N(C)[C@H](C)Cc2ccsc2)c([O-])c1 ZINC000175099977 1093548654 /nfs/dbraw/zinc/54/86/54/1093548654.db2.gz OKZZOBQERBWJOD-LLVKDONJSA-N -1 3 305.399 3.166 10 0 DGAEHM O=c1cc(C(F)(F)F)nc(CNc2ccc(Cl)cc2)[n-]1 ZINC000090371032 185292929 /nfs/dbraw/zinc/29/29/29/185292929.db2.gz PWAOKVMPSYXPGK-UHFFFAOYSA-N -1 3 303.671 3.054 10 0 DGAEHM O=C(NCc1ccc([O-])c(F)c1)N1CCC[C@H](C(F)(F)F)C1 ZINC000172626886 198127693 /nfs/dbraw/zinc/12/76/93/198127693.db2.gz NJVZHRGYSUMWGL-JTQLQIEISA-N -1 3 320.286 3.015 10 0 DGAEHM CCN1CCC[C@@H]1CN(C)C(=O)c1cc2ccccc2cc1[O-] ZINC000174535920 198349115 /nfs/dbraw/zinc/34/91/15/198349115.db2.gz WJMGEGSBGDBTTM-MRXNPFEDSA-N -1 3 312.413 3.102 10 0 DGAEHM O=[S@](Cc1ccn(-c2ccc(F)cc2)n1)c1ccc([O-])cc1 ZINC000080140645 192004990 /nfs/dbraw/zinc/00/49/90/192004990.db2.gz HRRBCVFFFDZNHU-QFIPXVFZSA-N -1 3 316.357 3.025 10 0 DGAEHM Cc1ccc([O-])c(CN[C@H](C)c2nc(C3CCCCC3)no2)n1 ZINC000237371350 202246313 /nfs/dbraw/zinc/24/63/13/202246313.db2.gz WEFQYWACLPMGNV-GFCCVEGCSA-N -1 3 316.405 3.377 10 0 DGAEHM C[C@H]1OCCC[C@@H]1C(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000189799728 432090210 /nfs/dbraw/zinc/09/02/10/432090210.db2.gz ZTLJAQGNWUAFTC-SCZZXKLOSA-N -1 3 303.280 3.165 10 0 DGAEHM CCc1ccc(NCc2nc(C(F)(F)F)cc(=O)[n-]2)cc1F ZINC000092216311 284005306 /nfs/dbraw/zinc/00/53/06/284005306.db2.gz MVQPPJCVXDWMFP-UHFFFAOYSA-N -1 3 315.270 3.102 10 0 DGAEHM Cc1[nH]nc2cc([N-]S(=O)(=O)c3cc(C)ccc3C)ccc12 ZINC000093909357 193327782 /nfs/dbraw/zinc/32/77/82/193327782.db2.gz FAWKGCCXUAGNSW-UHFFFAOYSA-N -1 3 315.398 3.289 10 0 DGAEHM COC(=O)c1c2ccccc2sc1[N-]C(=O)c1cc(C)no1 ZINC000012870434 181805367 /nfs/dbraw/zinc/80/53/67/181805367.db2.gz WYDNFTIJWFNVMU-UHFFFAOYSA-N -1 3 316.338 3.237 10 0 DGAEHM O=C(c1ccc2c(c1[O-])CCCC2)N1CCO[C@@H]2CCCC[C@H]21 ZINC000185219209 296238774 /nfs/dbraw/zinc/23/87/74/296238774.db2.gz GHIZSNYSZOUJHE-IAGOWNOFSA-N -1 3 315.413 3.055 10 0 DGAEHM COc1ccc2[n-]cc(C(=O)Nc3ccc(C)cc3C)c(=O)c2c1 ZINC000039962783 183025468 /nfs/dbraw/zinc/02/54/68/183025468.db2.gz UFUUBJFLCMNMQT-UHFFFAOYSA-N -1 3 322.364 3.406 10 0 DGAEHM CC(C)Nc1ncnc([N-]c2nc3ccccc3s2)c1N ZINC000040708133 183120795 /nfs/dbraw/zinc/12/07/95/183120795.db2.gz QDVNIIXAWRUHRR-UHFFFAOYSA-N -1 3 300.391 3.232 10 0 DGAEHM O=C(Nc1cc(F)cc(F)c1)c1c[n-]c2c(F)cccc2c1=O ZINC000041055743 183160117 /nfs/dbraw/zinc/16/01/17/183160117.db2.gz TUTOZLIXGKEKQF-UHFFFAOYSA-N -1 3 318.254 3.198 10 0 DGAEHM O=C(Nc1cc(F)cc(F)c1)c1cnc2c(F)cccc2c1[O-] ZINC000041055743 183160119 /nfs/dbraw/zinc/16/01/19/183160119.db2.gz TUTOZLIXGKEKQF-UHFFFAOYSA-N -1 3 318.254 3.198 10 0 DGAEHM Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1ccc(C)cc1[O-] ZINC000105882197 194155024 /nfs/dbraw/zinc/15/50/24/194155024.db2.gz MMGFVHHKKMXAST-OAHLLOKOSA-N -1 3 313.401 3.028 10 0 DGAEHM CC(=O)Oc1ccc2c(c1)occ(-c1nc3ccccc3[n-]1)c2=O ZINC000059075550 184134126 /nfs/dbraw/zinc/13/41/26/184134126.db2.gz GBVNIZJMGPATDS-UHFFFAOYSA-N -1 3 320.304 3.262 10 0 DGAEHM O=C(NC1C2CC3CC(C2)CC1C3)c1cc(=O)c2ccccc2[n-]1 ZINC000294532597 224075011 /nfs/dbraw/zinc/07/50/11/224075011.db2.gz UZEUHXQQJUUMPK-UHFFFAOYSA-N -1 3 322.408 3.495 10 0 DGAEHM CC(=O)Nc1ccc([O-])c(C(=O)N2[C@H](C)C[C@@H]3CCCC[C@H]32)c1 ZINC000270032677 285206027 /nfs/dbraw/zinc/20/60/27/285206027.db2.gz HQLKTGYUEAPDOA-PVXIVEMSSA-N -1 3 316.401 3.144 10 0 DGAEHM CCc1noc(C)c1[N-]C(=O)c1nc(C(C)C)ncc1Cl ZINC000120830017 195247212 /nfs/dbraw/zinc/24/72/12/195247212.db2.gz FOFBMQPGVDUSKR-UHFFFAOYSA-N -1 3 308.769 3.365 10 0 DGAEHM Cc1ccnc(-c2cccc(NC(=O)c3cccc([O-])c3)c2)n1 ZINC000357285586 285702206 /nfs/dbraw/zinc/70/22/06/285702206.db2.gz FSZXMRZYCLTMJL-UHFFFAOYSA-N -1 3 305.337 3.410 10 0 DGAEHM O=C(N[C@@H]1C[C@@H]1c1c(F)cccc1Cl)c1cccc([O-])c1 ZINC000357313446 285711202 /nfs/dbraw/zinc/71/12/02/285711202.db2.gz PLWPJAMPMBQTHU-SMDDNHRTSA-N -1 3 305.736 3.471 10 0 DGAEHM COC(=O)c1cc(Cl)cc(NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)c1[O-] ZINC000588099918 400188636 /nfs/dbraw/zinc/18/86/36/400188636.db2.gz GKRAFPXCIFMYJT-IWIIMEHWSA-N -1 3 323.776 3.207 10 0 DGAEHM O=C([O-])[C@H]1CCC[C@H](NCc2cscc2Br)C1 ZINC000304615070 400122837 /nfs/dbraw/zinc/12/28/37/400122837.db2.gz SFZUMYRTFHWWAJ-WPRPVWTQSA-N -1 3 318.236 3.244 10 0 DGAEHM CCOC(=O)c1[n-]c(C)nc1NC(=O)C[C@@H]1CCC[C@@H](C)C1 ZINC000610231328 400226624 /nfs/dbraw/zinc/22/66/24/400226624.db2.gz MJIHOUIYFSHRJI-ZYHUDNBSSA-N -1 3 307.394 3.050 10 0 DGAEHM CCOC(=O)c1nc(C)[n-]c1NC(=O)C[C@@H]1CCC[C@@H](C)C1 ZINC000610231328 400226627 /nfs/dbraw/zinc/22/66/27/400226627.db2.gz MJIHOUIYFSHRJI-ZYHUDNBSSA-N -1 3 307.394 3.050 10 0 DGAEHM O=C(Nc1ccc2c(c1)NCCC2)c1c[n-]c2ccccc2c1=O ZINC000113735323 400381113 /nfs/dbraw/zinc/38/11/13/400381113.db2.gz KTRSZIQKPIMPNG-UHFFFAOYSA-N -1 3 319.364 3.139 10 0 DGAEHM O=C(Nc1ccc2c(c1)NCCC2)c1cnc2ccccc2c1[O-] ZINC000113735323 400381118 /nfs/dbraw/zinc/38/11/18/400381118.db2.gz KTRSZIQKPIMPNG-UHFFFAOYSA-N -1 3 319.364 3.139 10 0 DGAEHM CCOC(=O)C(Cc1cccc(OC)c1)=C([O-])c1ccccc1 ZINC000036472710 400390313 /nfs/dbraw/zinc/39/03/13/400390313.db2.gz FWIFGKLTPHSZGD-QGZVFWFLSA-N -1 3 312.365 3.300 10 0 DGAEHM CS(=O)(=O)[N-]c1cc2c(cc1OC1CCCCC1)CCC2 ZINC000141154560 400623448 /nfs/dbraw/zinc/62/34/48/400623448.db2.gz LSEGTZIDLLVGIS-UHFFFAOYSA-N -1 3 309.431 3.258 10 0 DGAEHM Cc1ccc(C(=O)NCCCCOCc2ccccc2)c([O-])c1 ZINC000050424098 400686034 /nfs/dbraw/zinc/68/60/34/400686034.db2.gz KPVZSUVNXQJYSJ-UHFFFAOYSA-N -1 3 313.397 3.427 10 0 DGAEHM [O-]c1cccc(CNCC[C@H]2CC2(F)F)c1Br ZINC000621375730 401190680 /nfs/dbraw/zinc/19/06/80/401190680.db2.gz CLSKBPSEYBCLBG-VIFPVBQESA-N -1 3 306.150 3.290 10 0 DGAEHM [O-]c1cccc(CNCC[C@@H]2CC2(F)F)c1Br ZINC000621375729 401190907 /nfs/dbraw/zinc/19/09/07/401190907.db2.gz CLSKBPSEYBCLBG-SECBINFHSA-N -1 3 306.150 3.290 10 0 DGAEHM Cn1nc(C(=O)[O-])cc1CN[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000635305486 401429909 /nfs/dbraw/zinc/42/99/09/401429909.db2.gz XNAONFDOMRINGI-HNNXBMFYSA-N -1 3 319.792 3.013 10 0 DGAEHM CCSc1cccc(F)c1[N-]C(=O)c1cccc2ncnn21 ZINC000362189687 286782266 /nfs/dbraw/zinc/78/22/66/286782266.db2.gz XNJSCVCEFCULKS-UHFFFAOYSA-N -1 3 316.361 3.233 10 0 DGAEHM CCc1ccc([O-])c(C(=O)N2CCC(OCC(C)C)CC2)c1 ZINC000195446245 165370182 /nfs/dbraw/zinc/37/01/82/165370182.db2.gz LMKSIYROOSBQPC-UHFFFAOYSA-N -1 3 305.418 3.232 10 0 DGAEHM C[C@@H](NC(=O)c1cccc([O-])c1)c1cccc(-n2ccnc2)c1 ZINC000182527012 432201391 /nfs/dbraw/zinc/20/13/91/432201391.db2.gz VLDSBGKAUBABTG-CYBMUJFWSA-N -1 3 307.353 3.069 10 0 DGAEHM CC(=O)n1c2ccccc2c([O-])c1N(CC(C)C)CC(C)C ZINC000020579796 278076623 /nfs/dbraw/zinc/07/66/23/278076623.db2.gz ZDUZDMRJPCZUGZ-GOSISDBHSA-N -1 3 302.418 3.176 10 0 DGAEHM C[C@@H]1c2ccccc2O[C@@H]1C(=O)N1CCCc2cccc([O-])c21 ZINC000182927729 278108806 /nfs/dbraw/zinc/10/88/06/278108806.db2.gz DFRVUHVJKNZXIE-XIKOKIGWSA-N -1 3 309.365 3.236 10 0 DGAEHM CC1(C)C[C@@H](NC(=O)/C=C\c2cncc([O-])c2)c2ccccc2O1 ZINC000492477543 278360675 /nfs/dbraw/zinc/36/06/75/278360675.db2.gz VSGPTVQVMHMGAX-XITLMJRVSA-N -1 3 324.380 3.219 10 0 DGAEHM CO[N-]C(=O)Cc1cccc(OCc2ccc3ccccc3n2)c1 ZINC000000011022 431111614 /nfs/dbraw/zinc/11/16/14/431111614.db2.gz JDTTUYIDOKHDHR-UHFFFAOYSA-N -1 3 322.364 3.034 10 0 DGAEHM CCc1csc([C@@H]2CCCN(C(=O)c3ccccc3[O-])C2)n1 ZINC000113440515 431347367 /nfs/dbraw/zinc/34/73/67/431347367.db2.gz XKLFYYLNMDMEIP-GFCCVEGCSA-N -1 3 316.426 3.431 10 0 DGAEHM Cc1[nH]c2c(C(=O)[O-])cccc2c(=O)c1CN1CCC[C@H](C)C1 ZINC000008713919 431405355 /nfs/dbraw/zinc/40/53/55/431405355.db2.gz USFBKVVMSNSACW-NSHDSACASA-N -1 3 314.385 3.179 10 0 DGAEHM Cc1[nH]c2ccc(C(=O)[O-])cc2c(=O)c1CN1CCCCCC1 ZINC000008713945 431405961 /nfs/dbraw/zinc/40/59/61/431405961.db2.gz DPZVLAVKUHFDKW-UHFFFAOYSA-N -1 3 314.385 3.323 10 0 DGAEHM C[C@H]1c2ccccc2O[C@@H]1C(=O)N1CCCc2cccc([O-])c21 ZINC000182927748 280129363 /nfs/dbraw/zinc/12/93/63/280129363.db2.gz DFRVUHVJKNZXIE-SGTLLEGYSA-N -1 3 309.365 3.236 10 0 DGAEHM O=C(c1ccc(O)cc1[O-])N1CC=C(c2cccs2)CC1 ZINC000117723085 431577998 /nfs/dbraw/zinc/57/79/98/431577998.db2.gz MYQDFTWMTRPFLY-UHFFFAOYSA-N -1 3 301.367 3.089 10 0 DGAEHM COc1ccc([C@@H](C)NC(=O)c2cccc(C)c2[O-])cc1OC ZINC000078280030 431652749 /nfs/dbraw/zinc/65/27/49/431652749.db2.gz JTCVBUAAIPGOGX-GFCCVEGCSA-N -1 3 315.369 3.209 10 0 DGAEHM COc1cccc(C(=O)N(C)Cc2ccc(Cl)cc2)c1[O-] ZINC000042252663 431863215 /nfs/dbraw/zinc/86/32/15/431863215.db2.gz KHJLEENYQXGIGT-UHFFFAOYSA-N -1 3 305.761 3.326 10 0 DGAEHM Cc1cc(Cl)cc(NC(=O)c2cnn3c2CCCC3)c1[O-] ZINC000128478280 431994903 /nfs/dbraw/zinc/99/49/03/431994903.db2.gz ZKNKTIJIOGVSOH-UHFFFAOYSA-N -1 3 305.765 3.139 10 0 DGAEHM Cc1nc(C(F)(F)F)c(C[S@@](=O)c2ccc([O-])cc2)s1 ZINC000183691131 432317088 /nfs/dbraw/zinc/31/70/88/432317088.db2.gz QNVZYAYIYYRHKT-HXUWFJFHSA-N -1 3 321.345 3.484 10 0 DGAEHM Cc1nc(C(F)(F)F)c(C[S@](=O)c2ccc([O-])cc2)s1 ZINC000183691143 432317279 /nfs/dbraw/zinc/31/72/79/432317279.db2.gz QNVZYAYIYYRHKT-FQEVSTJZSA-N -1 3 321.345 3.484 10 0 DGAEHM COc1ccc([C@@H](C)N[C@H](C)c2nc(C)cc(=O)[n-]2)cc1F ZINC000192723355 432405884 /nfs/dbraw/zinc/40/58/84/432405884.db2.gz PBIDMDBGLRYPKF-GHMZBOCLSA-N -1 3 305.353 3.050 10 0 DGAEHM C[C@@H]1C[C@H](C(=O)Nc2cc(-c3nccn3C)[n-]n2)CC(C)(C)C1 ZINC000184239445 432370197 /nfs/dbraw/zinc/37/01/97/432370197.db2.gz VVJVACXEDZKGLF-NEPJUHHUSA-N -1 3 315.421 3.211 10 0 DGAEHM C[C@@H]1C[C@H](C(=O)Nc2cc(-c3nccn3C)n[n-]2)CC(C)(C)C1 ZINC000184239445 432370203 /nfs/dbraw/zinc/37/02/03/432370203.db2.gz VVJVACXEDZKGLF-NEPJUHHUSA-N -1 3 315.421 3.211 10 0 DGAEHM CC(C)C[C@H](C)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000184882085 432441639 /nfs/dbraw/zinc/44/16/39/432441639.db2.gz KDBQBMDUHLUACL-JTQLQIEISA-N -1 3 314.223 3.453 10 0 DGAEHM Cc1cc(=O)[n-]c([C@@H](C)N[C@H](C)c2cccc(-n3ccnc3)c2)n1 ZINC000192774780 432412485 /nfs/dbraw/zinc/41/24/85/432412485.db2.gz PCTPTMMUTALUSQ-ZIAGYGMSSA-N -1 3 323.400 3.088 10 0 DGAEHM COC(=O)c1coc(C(=O)[N-]c2cc(C(C)=O)ccc2Cl)c1 ZINC000185180108 432475257 /nfs/dbraw/zinc/47/52/57/432475257.db2.gz PUYUFROAOYYJMJ-UHFFFAOYSA-N -1 3 321.716 3.175 10 0 DGAEHM COC(=O)c1coc(C(=O)[N-]c2cncc(Cl)c2Cl)c1 ZINC000185302844 432486910 /nfs/dbraw/zinc/48/69/10/432486910.db2.gz ROGIZPZHFWDPKA-UHFFFAOYSA-N -1 3 315.112 3.020 10 0 DGAEHM C[C@@H](C(=O)N1CC[C@H](C)c2cccc([O-])c21)C1CCOCC1 ZINC000186321872 432580971 /nfs/dbraw/zinc/58/09/71/432580971.db2.gz UOTKTVGTDRFDKL-QWHCGFSZSA-N -1 3 303.402 3.295 10 0 DGAEHM O=C(c1cc([O-])ccc1Cl)N1CCC[C@H](C(F)(F)F)C1 ZINC000236606600 432751288 /nfs/dbraw/zinc/75/12/88/432751288.db2.gz PNQHYSBZPAJTPF-QMMMGPOBSA-N -1 3 307.699 3.460 10 0 DGAEHM C[C@H]1CCCN(Cc2cccc(Br)c2)[C@@H]1C(=O)[O-] ZINC000235668791 432744245 /nfs/dbraw/zinc/74/42/45/432744245.db2.gz OBEYFWRTPFAOMW-GWCFXTLKSA-N -1 3 312.207 3.134 10 0 DGAEHM O=C(Nc1nnc(-c2ccco2)[n-]1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000163522079 432854775 /nfs/dbraw/zinc/85/47/75/432854775.db2.gz UEYRMFCUYVETOV-NWDGAFQWSA-N -1 3 300.362 3.220 10 0 DGAEHM O=C(Nc1nc(-c2ccco2)n[n-]1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000163522079 432854777 /nfs/dbraw/zinc/85/47/77/432854777.db2.gz UEYRMFCUYVETOV-NWDGAFQWSA-N -1 3 300.362 3.220 10 0 DGAEHM O=C(Nc1n[n-]c(-c2ccco2)n1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000163522079 432854779 /nfs/dbraw/zinc/85/47/79/432854779.db2.gz UEYRMFCUYVETOV-NWDGAFQWSA-N -1 3 300.362 3.220 10 0 DGAEHM CC(=O)c1ccc(C(=O)N2CCC(C)(C3CC3)CC2)cc1[O-] ZINC000412362364 433171562 /nfs/dbraw/zinc/17/15/62/433171562.db2.gz IJIBVHAOTARWKZ-UHFFFAOYSA-N -1 3 301.386 3.247 10 0 DGAEHM CC(=O)c1ccc(C(=O)NCC2(C3CCC3)CCC2)cc1[O-] ZINC000412419993 433198636 /nfs/dbraw/zinc/19/86/36/433198636.db2.gz HIFZMPWPDPRERM-UHFFFAOYSA-N -1 3 301.386 3.295 10 0 DGAEHM Cc1ccc([C@H](C)CNC(=O)Cc2ccc([O-])c(F)c2)cc1 ZINC000449905401 433862862 /nfs/dbraw/zinc/86/28/62/433862862.db2.gz FMVIIQDSRAUYFK-CYBMUJFWSA-N -1 3 301.361 3.302 10 0 DGAEHM C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1C(=O)c1cccc([O-])c1 ZINC000357250732 433927743 /nfs/dbraw/zinc/92/77/43/433927743.db2.gz BMCPUYHNJTXLPZ-JKSUJKDBSA-N -1 3 324.424 3.127 10 0 DGAEHM CCc1cc(=O)[n-]c(CSCCOc2ccc(F)cc2)n1 ZINC000357344738 433965178 /nfs/dbraw/zinc/96/51/78/433965178.db2.gz GTVXEESHTWIYIR-UHFFFAOYSA-N -1 3 308.378 3.196 10 0 DGAEHM Cc1ccc(C(=O)Nc2ccc3ccc(=O)n(C)c3c2)c([O-])c1C ZINC000436814743 434124001 /nfs/dbraw/zinc/12/40/01/434124001.db2.gz LOTXYBWPQGYNII-UHFFFAOYSA-N -1 3 322.364 3.113 10 0 DGAEHM Cc1ccc2[nH]c3c(c2c1)C[C@@H](NC(=O)c1cccc([O-])c1)CC3 ZINC000509487797 294354058 /nfs/dbraw/zinc/35/40/58/294354058.db2.gz HELWFTQCLQBBGH-AWEZNQCLSA-N -1 3 320.392 3.469 10 0 DGAEHM C[C@H](COCc1ccccc1)NC(=O)c1cc([O-])ccc1Cl ZINC000340952843 434451560 /nfs/dbraw/zinc/45/15/60/434451560.db2.gz MBTXOBNBSILXRE-GFCCVEGCSA-N -1 3 319.788 3.381 10 0 DGAEHM CCc1ccc([O-])c(C(=O)N2CCC[C@@H]2[C@H]2CCCC[C@H]2O)c1 ZINC000408261553 434556293 /nfs/dbraw/zinc/55/62/93/434556293.db2.gz QQTZNXRAZYHGQH-DJIMGWMZSA-N -1 3 317.429 3.110 10 0 DGAEHM CC[C@@H](CC1CCCC1)C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000527208374 295083667 /nfs/dbraw/zinc/08/36/67/295083667.db2.gz DRXBCNAYGPKICC-DZGCQCFKSA-N -1 3 305.422 3.228 10 0 DGAEHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000527499731 295098987 /nfs/dbraw/zinc/09/89/87/295098987.db2.gz UQZYKUYTELRYFF-AYDFFVQHSA-N -1 3 317.433 3.228 10 0 DGAEHM C[C@@H](CC1CCCCC1)C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000527499614 295099033 /nfs/dbraw/zinc/09/90/33/295099033.db2.gz MZGPRIXNSYLFGO-SWLSCSKDSA-N -1 3 305.422 3.228 10 0 DGAEHM CC(=O)c1ccsc1[N-]C(=O)c1ncoc1[C@@H]1CCCO1 ZINC000410894971 434688817 /nfs/dbraw/zinc/68/88/17/434688817.db2.gz DQBFHMXPBOLASN-JTQLQIEISA-N -1 3 306.343 3.043 10 0 DGAEHM [O-]c1ccccc1-c1nc(CSc2ccccc2O)no1 ZINC000372602236 434842902 /nfs/dbraw/zinc/84/29/02/434842902.db2.gz UKQREJLSPFYJMP-UHFFFAOYSA-N -1 3 300.339 3.440 10 0 DGAEHM COC(=O)Cc1c(C(F)(F)F)ccc([O-])c1C(F)(F)F ZINC000575380531 435032462 /nfs/dbraw/zinc/03/24/62/435032462.db2.gz FIEIPTBYASJICR-UHFFFAOYSA-N -1 3 302.170 3.145 10 0 DGAEHM Cc1c([O-])cc(I)cc1Br ZINC000575693354 435045149 /nfs/dbraw/zinc/04/51/49/435045149.db2.gz QLTADMHROVVHQC-UHFFFAOYSA-N -1 3 312.932 3.068 10 0 DGAEHM Cc1cc([O-])cc(Br)c1I ZINC000575692828 435045710 /nfs/dbraw/zinc/04/57/10/435045710.db2.gz IAPMXFNTGARCIZ-UHFFFAOYSA-N -1 3 312.932 3.068 10 0 DGAEHM Cc1cccc2c(=O)c(C(=O)N(C)C[C@@H]3CC=CCC3)c[n-]c12 ZINC000547863073 435654736 /nfs/dbraw/zinc/65/47/36/435654736.db2.gz XFEUIXUQGYGFNL-CQSZACIVSA-N -1 3 310.397 3.265 10 0 DGAEHM C[C@@H]1C[C@H]1CNC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000548362011 435685731 /nfs/dbraw/zinc/68/57/31/435685731.db2.gz PVGLVPHTESZFED-WBMJQRKESA-N -1 3 309.365 3.009 10 0 DGAEHM Cc1cccc(C(=O)NCc2ccncc2C(F)(F)F)c1[O-] ZINC000548711830 435711592 /nfs/dbraw/zinc/71/15/92/435711592.db2.gz PXAWTSYPAMQBBF-UHFFFAOYSA-N -1 3 310.275 3.044 10 0 DGAEHM CC(=O)c1cccc(NC(=O)[C@@H]2CC(C)(C)OC2(C)C)c1[O-] ZINC000529388510 313184771 /nfs/dbraw/zinc/18/47/71/313184771.db2.gz PDIICSFHIRKBAW-LBPRGKRZSA-N -1 3 305.374 3.127 10 0 DGAEHM C[C@@H](NC(=O)c1cc([O-])cc(Br)c1)C1CCCC1 ZINC000529464541 313201221 /nfs/dbraw/zinc/20/12/21/313201221.db2.gz DXNHHVZXUJGQLR-SECBINFHSA-N -1 3 312.207 3.463 10 0 DGAEHM Cc1ccc(C(=O)NCc2ccncc2C(F)(F)F)c([O-])c1 ZINC000548723444 314467707 /nfs/dbraw/zinc/46/77/07/314467707.db2.gz ZUGFOTHTAYBNHU-UHFFFAOYSA-N -1 3 310.275 3.044 10 0 DGAEHM CO[C@H](C)c1cccc(NC(=O)c2n[n-]nc2-c2ccccc2)c1 ZINC000188867072 323430669 /nfs/dbraw/zinc/43/06/69/323430669.db2.gz LOADMGFKPGIFOQ-GFCCVEGCSA-N -1 3 322.368 3.431 10 0 DGAEHM CC[C@H]1CCCCCN1C(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000163565776 529196433 /nfs/dbraw/zinc/19/64/33/529196433.db2.gz PMMBZOILRADMBF-ZDUSSCGKSA-N -1 3 307.390 3.204 10 0 DGAEHM Cc1ccc([O-])c(CN2CCC[C@H]2c2ccc3c(c2)OCO3)n1 ZINC000093048632 545851933 /nfs/dbraw/zinc/85/19/33/545851933.db2.gz OWJGUXFGKQGXDQ-HNNXBMFYSA-N -1 3 312.369 3.161 10 0 DGAEHM Cn1ccnc1-c1cc(NC(=O)CC/C=C\c2ccccc2)n[n-]1 ZINC000255892587 546336834 /nfs/dbraw/zinc/33/68/34/546336834.db2.gz RWZHURPILSENGU-UITAMQMPSA-N -1 3 321.384 3.242 10 0 DGAEHM Cn1ccnc1-c1cc(NC(=O)CC/C=C\c2ccccc2)[n-]n1 ZINC000255892587 546336836 /nfs/dbraw/zinc/33/68/36/546336836.db2.gz RWZHURPILSENGU-UITAMQMPSA-N -1 3 321.384 3.242 10 0 DGAEHM COc1cc(CNC(=O)c2cc([O-])c3ccccc3c2)ccc1O ZINC000527167446 546969210 /nfs/dbraw/zinc/96/92/10/546969210.db2.gz BQPWTLNSELLCSR-UHFFFAOYSA-N -1 3 323.348 3.190 10 0 DGAEHM O=C(N[C@@H]1Cc2cccc(O)c2C1)c1cc([O-])c2ccccc2c1 ZINC000527470231 546970272 /nfs/dbraw/zinc/97/02/72/546970272.db2.gz AKEHFNUQCSALNK-OAHLLOKOSA-N -1 3 319.360 3.148 10 0 DGAEHM Cc1ccc(CCNC(=O)c2cc([O-])c3ccccc3c2)cn1 ZINC000527451888 546970325 /nfs/dbraw/zinc/97/03/25/546970325.db2.gz KZBVJRBIBQCCQX-UHFFFAOYSA-N -1 3 306.365 3.221 10 0 DGAEHM CCc1ccc(C(=O)CCC(=O)[N-]OCc2ccccc2)cc1 ZINC000025283053 617651690 /nfs/dbraw/zinc/65/16/90/617651690.db2.gz CUHCKNMMVABIGO-UHFFFAOYSA-N -1 3 311.381 3.460 10 0 DGAEHM CC(C)c1nc([C@@H]2CCCN2Cc2ccc([O-])c(F)c2)no1 ZINC000891877640 617918742 /nfs/dbraw/zinc/91/87/42/617918742.db2.gz NKEHNUQCMXQHFS-ZDUSSCGKSA-N -1 3 305.353 3.375 10 0 DGAEHM CCC(C)(CC)[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000217742836 627102996 /nfs/dbraw/zinc/10/29/96/627102996.db2.gz SDDGIPPWWVMIAJ-UHFFFAOYSA-N -1 3 311.234 3.245 10 0 DGAEHM O=C(NNc1cccnc1Cl)c1ccc2c(c1[O-])CCCC2 ZINC000185285733 660214082 /nfs/dbraw/zinc/21/40/82/660214082.db2.gz SHLKHPZZKXIGIK-UHFFFAOYSA-N -1 3 317.776 3.076 10 0 DGAEHM CN(CCOCc1ccccc1)Cc1cc(C(=O)[O-])cs1 ZINC000711415435 660951446 /nfs/dbraw/zinc/95/14/46/660951446.db2.gz FRMTVAQZLYIVKY-UHFFFAOYSA-N -1 3 305.399 3.095 10 0 DGAEHM C[C@@H](C1CC1)n1cc([N-]S(=O)(=O)/C=C/c2ccccc2)cn1 ZINC000187738797 661903114 /nfs/dbraw/zinc/90/31/14/661903114.db2.gz MFYSMGSXZKTIRS-LXKVQUBZSA-N -1 3 317.414 3.267 10 0 DGAEHM CO[C@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CC[C@@H]1C ZINC000189364030 661976267 /nfs/dbraw/zinc/97/62/67/661976267.db2.gz KRPAYIRSWIVPTF-BONVTDFDSA-N -1 3 311.809 3.105 10 0 DGAEHM CC(C)CCC[C@H](C)[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000380512814 1197703691 /nfs/dbraw/zinc/70/36/91/1197703691.db2.gz GWTFRIMZAFKSFZ-JTQLQIEISA-N -1 3 322.833 3.367 10 0 DGAEHM CC(C)(C)CC(C)(C)[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000383877991 1197707011 /nfs/dbraw/zinc/70/70/11/1197707011.db2.gz ZYMPDHFLAJNIBX-UHFFFAOYSA-N -1 3 322.833 3.367 10 0 DGAEHM C[C@@H]1CCCC[C@]1(C)[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000308729834 1199705012 /nfs/dbraw/zinc/70/50/12/1199705012.db2.gz RUOSERJPAFPAPF-RNCFNFMXSA-N -1 3 320.817 3.121 10 0 DGAEHM CC1(C)CCC(C[N-]S(=O)(=O)c2cccnc2Cl)CC1 ZINC000313048273 1199759619 /nfs/dbraw/zinc/75/96/19/1199759619.db2.gz HCLMBDPAOUVESQ-UHFFFAOYSA-N -1 3 316.854 3.230 10 0 DGAEHM Cc1cnc([C@H](C)NCc2cc([O-])ccc2Br)o1 ZINC000315494977 231142705 /nfs/dbraw/zinc/14/27/05/231142705.db2.gz XKIYUTZFSHGESS-VIFPVBQESA-N -1 3 311.179 3.302 10 0 DGAEHM COc1c(C)c(=O)c2c([O-])cc(-c3ccc(O)cc3)oc-2c1C ZINC000014780122 190640272 /nfs/dbraw/zinc/64/02/72/190640272.db2.gz QJSQOGJCHBXLAH-UHFFFAOYSA-N -1 3 312.321 3.497 10 0 biogenic,in-vitro DGAEHM Cc1ccc(C(=O)N2CCC[C@@H](c3nccs3)C2)c([O-])c1 ZINC000104117486 432014922 /nfs/dbraw/zinc/01/49/22/432014922.db2.gz GZLQWLUGMFLISN-GFCCVEGCSA-N -1 3 302.399 3.177 10 0 DGAEHM CCc1ccc(CN2CC[C@H](c3ccccc3C(=O)[O-])C2)nc1 ZINC000072129670 191045081 /nfs/dbraw/zinc/04/50/81/191045081.db2.gz RLYCTOYPWKAGOX-HNNXBMFYSA-N -1 3 310.397 3.332 10 0 DGAEHM CNc1ncc(C(=O)[N-]c2nnc(-c3ccsc3)s2)s1 ZINC000133367390 432061863 /nfs/dbraw/zinc/06/18/63/432061863.db2.gz CWQRMZBDJURVRZ-UHFFFAOYSA-N -1 3 323.428 3.017 10 0 DGAEHM O=C(Cc1cnc2ccccc2c1)N1CCCc2cccc([O-])c21 ZINC000133475874 432064864 /nfs/dbraw/zinc/06/48/64/432064864.db2.gz DPIURMJPBVEPLE-UHFFFAOYSA-N -1 3 318.376 3.462 10 0 DGAEHM CCc1cc(C)c(C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)o1 ZINC000133645410 432069172 /nfs/dbraw/zinc/06/91/72/432069172.db2.gz SYGXVFFIYXZCMW-UHFFFAOYSA-N -1 3 300.318 3.089 10 0 DGAEHM CCc1cc(C)c(C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)o1 ZINC000133645410 432069174 /nfs/dbraw/zinc/06/91/74/432069174.db2.gz SYGXVFFIYXZCMW-UHFFFAOYSA-N -1 3 300.318 3.089 10 0 DGAEHM CCc1cc(C)c(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)o1 ZINC000133645410 432069176 /nfs/dbraw/zinc/06/91/76/432069176.db2.gz SYGXVFFIYXZCMW-UHFFFAOYSA-N -1 3 300.318 3.089 10 0 DGAEHM CCO[C@H]1C[C@@H](N(C)C(=O)c2ccccc2[O-])C12CCCC2 ZINC000134121500 432074043 /nfs/dbraw/zinc/07/40/43/432074043.db2.gz QOHSBKZYGGEASG-CVEARBPZSA-N -1 3 303.402 3.202 10 0 DGAEHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)c1ccc2c(n1)CCCC2 ZINC000442578236 239098657 /nfs/dbraw/zinc/09/86/57/239098657.db2.gz USNGXUOIFXPEGC-UHFFFAOYSA-N -1 3 318.380 3.025 10 0 DGAEHM O=C(Nc1ccc(Nc2ncccn2)cc1)c1cccc([O-])c1 ZINC000444617193 239306696 /nfs/dbraw/zinc/30/66/96/239306696.db2.gz PQSOEFWXEZYUQW-UHFFFAOYSA-N -1 3 306.325 3.178 10 0 DGAEHM Cc1csc([C@H](C)[N-]S(=O)(=O)c2sccc2Cl)n1 ZINC000451160322 241027253 /nfs/dbraw/zinc/02/72/53/241027253.db2.gz DSHLVXXZNISDFM-ZETCQYMHSA-N -1 3 322.864 3.206 10 0 DGAEHM Cn1ccnc1-c1cc(NC(=O)c2ccc(C(C)(C)C)cc2)n[n-]1 ZINC000119776231 284151633 /nfs/dbraw/zinc/15/16/33/284151633.db2.gz NGUVFFBDFZSGPO-UHFFFAOYSA-N -1 3 323.400 3.360 10 0 DGAEHM Cn1ccnc1-c1cc(NC(=O)c2ccc(C(C)(C)C)cc2)[n-]n1 ZINC000119776231 284151634 /nfs/dbraw/zinc/15/16/34/284151634.db2.gz NGUVFFBDFZSGPO-UHFFFAOYSA-N -1 3 323.400 3.360 10 0 DGAEHM CC[C@@H]([N-]S(=O)(=O)c1cccc(C)c1F)c1nccs1 ZINC000181303117 432121476 /nfs/dbraw/zinc/12/14/76/432121476.db2.gz JMFROHUGORPICO-SNVBAGLBSA-N -1 3 314.407 3.020 10 0 DGAEHM Cc1nc(-c2cccc(NC(=O)c3ccc(C)cc3[O-])c2)no1 ZINC000121120341 284189118 /nfs/dbraw/zinc/18/91/18/284189118.db2.gz UHMSGLKLASMAGT-UHFFFAOYSA-N -1 3 309.325 3.311 10 0 DGAEHM CCc1ccc(C(=O)N(C)CCc2ccc(F)cc2)c([O-])c1 ZINC000190269505 432139170 /nfs/dbraw/zinc/13/91/70/432139170.db2.gz GCHPWRWKUHAFRW-UHFFFAOYSA-N -1 3 301.361 3.408 10 0 DGAEHM Nc1c([N-]c2nccs2)ncnc1Nc1cccnc1Cl ZINC000040780988 183133278 /nfs/dbraw/zinc/13/32/78/183133278.db2.gz BAZGGFGQNRCZHE-UHFFFAOYSA-N -1 3 319.781 3.051 10 0 DGAEHM Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1cc(C)ccc1[O-] ZINC000105882154 194155819 /nfs/dbraw/zinc/15/58/19/194155819.db2.gz UPGTUJGXWNSZSL-OAHLLOKOSA-N -1 3 313.401 3.028 10 0 DGAEHM Cc1ccc([O-])c(C(=O)N2C[C@H](c3ccccc3)OC[C@@H]2C)c1 ZINC000110315626 194321796 /nfs/dbraw/zinc/32/17/96/194321796.db2.gz XJLZRKBQOWFFBK-KBXCAEBGSA-N -1 3 311.381 3.303 10 0 DGAEHM CC(C)[C@@H](C(=O)Nc1cc(-c2nccn2C)[n-]n1)c1ccccc1 ZINC000119618594 195003430 /nfs/dbraw/zinc/00/34/30/195003430.db2.gz MRDGZKQAKZUBTD-MRXNPFEDSA-N -1 3 323.400 3.189 10 0 DGAEHM CC(C)[C@@H](C(=O)Nc1cc(-c2nccn2C)n[n-]1)c1ccccc1 ZINC000119618594 195003433 /nfs/dbraw/zinc/00/34/33/195003433.db2.gz MRDGZKQAKZUBTD-MRXNPFEDSA-N -1 3 323.400 3.189 10 0 DGAEHM O=c1[nH]c(-c2cccc([O-])c2)nc2cc(C(F)(F)F)ccc12 ZINC000119822947 195043588 /nfs/dbraw/zinc/04/35/88/195043588.db2.gz JLLLRQVKWNNBKW-UHFFFAOYSA-N -1 3 306.243 3.315 10 0 DGAEHM CCCN(C(=O)c1cccc([O-])c1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000357312347 285710601 /nfs/dbraw/zinc/71/06/01/285710601.db2.gz PCWQUKZUYOWKEU-CVEARBPZSA-N -1 3 305.418 3.448 10 0 DGAEHM O=C([O-])c1ccc([C@@H]2COCCN(Cc3ccccc3)C2)cc1 ZINC000616597252 400181818 /nfs/dbraw/zinc/18/18/18/400181818.db2.gz IJZKVBRJEMUAGK-SFHVURJKSA-N -1 3 311.381 3.001 10 0 DGAEHM O=C([O-])[C@@H]1CCC[C@@H](NCc2cscc2Br)C1 ZINC000304615059 400122767 /nfs/dbraw/zinc/12/27/67/400122767.db2.gz SFZUMYRTFHWWAJ-PSASIEDQSA-N -1 3 318.236 3.244 10 0 DGAEHM CCOC(=O)c1[n-]c(C)nc1NC(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000610231216 400226322 /nfs/dbraw/zinc/22/63/22/400226322.db2.gz DADUJBHLUARFFW-QWHCGFSZSA-N -1 3 319.405 3.050 10 0 DGAEHM CCOC(=O)c1nc(C)[n-]c1NC(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000610231216 400226325 /nfs/dbraw/zinc/22/63/25/400226325.db2.gz DADUJBHLUARFFW-QWHCGFSZSA-N -1 3 319.405 3.050 10 0 DGAEHM CCOC(=O)c1[n-]c(C)nc1NC(=O)C[C@H]1CCC[C@H](C)C1 ZINC000610231326 400226356 /nfs/dbraw/zinc/22/63/56/400226356.db2.gz MJIHOUIYFSHRJI-JQWIXIFHSA-N -1 3 307.394 3.050 10 0 DGAEHM CCOC(=O)c1nc(C)[n-]c1NC(=O)C[C@H]1CCC[C@H](C)C1 ZINC000610231326 400226359 /nfs/dbraw/zinc/22/63/59/400226359.db2.gz MJIHOUIYFSHRJI-JQWIXIFHSA-N -1 3 307.394 3.050 10 0 DGAEHM CC(C)c1nsc([N-]c2cnn(CCN3CCCCC3)c2)n1 ZINC000092978296 400218794 /nfs/dbraw/zinc/21/87/94/400218794.db2.gz CUJSLIUBLMVTLY-UHFFFAOYSA-N -1 3 320.466 3.088 10 0 DGAEHM O=C(Nc1cc2ccccc2cn1)c1c[n-]c2ccccc2c1=O ZINC000113739471 400381160 /nfs/dbraw/zinc/38/11/60/400381160.db2.gz OHRPCVFMSGQMGU-UHFFFAOYSA-N -1 3 315.332 3.329 10 0 DGAEHM O=C(Nc1cc2ccccc2cn1)c1cnc2ccccc2c1[O-] ZINC000113739471 400381166 /nfs/dbraw/zinc/38/11/66/400381166.db2.gz OHRPCVFMSGQMGU-UHFFFAOYSA-N -1 3 315.332 3.329 10 0 DGAEHM O=C(N/N=C/c1c([O-])cccc1Cl)c1cccc(Cl)c1 ZINC000114390658 400386343 /nfs/dbraw/zinc/38/63/43/400386343.db2.gz AZJRJSCSHZYSMF-CAOOACKPSA-N -1 3 309.152 3.463 10 0 DGAEHM Cc1ccc([O-])c(C(=O)N2CCSc3ccc(N)cc32)c1 ZINC000038051188 292163343 /nfs/dbraw/zinc/16/33/43/292163343.db2.gz WOSBEJBVAWIGNE-UHFFFAOYSA-N -1 3 300.383 3.035 10 0 DGAEHM C[C@@H]1CSCCN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000606451810 400915765 /nfs/dbraw/zinc/91/57/65/400915765.db2.gz XKKPKFJFQFUAPB-SNVBAGLBSA-N -1 3 315.398 3.019 10 0 DGAEHM CC(C)c1cc(C(=O)N2CC[C@@H](C)[C@H](O)C2)c([O-])c(C(C)C)c1 ZINC000089427015 401222024 /nfs/dbraw/zinc/22/20/24/401222024.db2.gz OBKWVUKYJNGSTL-CXAGYDPISA-N -1 3 319.445 3.482 10 0 DGAEHM CC(C)c1cc(C(=O)N2CC[C@H](C)[C@H](O)C2)c([O-])c(C(C)C)c1 ZINC000089427018 401222992 /nfs/dbraw/zinc/22/29/92/401222992.db2.gz OBKWVUKYJNGSTL-SUMWQHHRSA-N -1 3 319.445 3.482 10 0 DGAEHM CC(=O)c1ccc(C(=O)Nc2nccc(C)c2C2CC2)cc1[O-] ZINC000622147821 401352340 /nfs/dbraw/zinc/35/23/40/401352340.db2.gz QHPVEQOMKCJFEJ-UHFFFAOYSA-N -1 3 310.353 3.428 10 0 DGAEHM O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)c1cc([O-])cc(Br)c1 ZINC000627975299 401506955 /nfs/dbraw/zinc/50/69/55/401506955.db2.gz GIGKDWAWGVHYTJ-KBVBSXBZSA-N -1 3 310.191 3.073 10 0 DGAEHM Cc1cc(S(=O)(=O)[N-][C@H]2CCCC(F)(F)C2)sc1C ZINC000358591856 286101948 /nfs/dbraw/zinc/10/19/48/286101948.db2.gz NCLIEMBCHIJKAM-JTQLQIEISA-N -1 3 309.403 3.221 10 0 DGAEHM Cc1nc2cc(NC(=O)c3n[n-]nc3-c3ccccc3)ccc2o1 ZINC000188939861 165142878 /nfs/dbraw/zinc/14/28/78/165142878.db2.gz WUGKDWXHXPVKEQ-UHFFFAOYSA-N -1 3 319.324 3.174 10 0 DGAEHM Cc1nc(CC2CC2)sc1C(=O)NCc1ccc([O-])c(F)c1 ZINC000190725413 165212744 /nfs/dbraw/zinc/21/27/44/165212744.db2.gz JOEBGLLAYQJIRE-UHFFFAOYSA-N -1 3 320.389 3.179 10 0 DGAEHM Cc1c(Cl)cccc1C(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000192824765 165307392 /nfs/dbraw/zinc/30/73/92/165307392.db2.gz WRMXFPBTECZMDO-UHFFFAOYSA-N -1 3 315.764 3.024 10 0 DGAEHM Cc1c(Cl)cccc1C(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000192824765 165307395 /nfs/dbraw/zinc/30/73/95/165307395.db2.gz WRMXFPBTECZMDO-UHFFFAOYSA-N -1 3 315.764 3.024 10 0 DGAEHM O=C(c1cccc([O-])c1)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000182453750 432191668 /nfs/dbraw/zinc/19/16/68/432191668.db2.gz SFLFBMUDEOUIMP-UHFFFAOYSA-N -1 3 315.344 3.215 10 0 DGAEHM O=C(NC/C=C/c1ccccc1)NCc1ccc([O-])c(F)c1 ZINC000172589753 432222873 /nfs/dbraw/zinc/22/28/73/432222873.db2.gz CQMGBCMAOJZNKZ-QPJJXVBHSA-N -1 3 300.333 3.044 10 0 DGAEHM C[C@@H]1CCN(C(=O)c2cnn3c2CCCC3)c2c([O-])cccc21 ZINC000186273385 287576633 /nfs/dbraw/zinc/57/66/33/287576633.db2.gz LTCVVQPNYHFYTM-GFCCVEGCSA-N -1 3 311.385 3.079 10 0 DGAEHM O=S(=O)([N-]C[C@@H]1C[C@@H]1c1ccccc1)c1ccc(F)cc1F ZINC000111358144 431217363 /nfs/dbraw/zinc/21/73/63/431217363.db2.gz LQUTVBHZQVQQDQ-GXTWGEPZSA-N -1 3 323.364 3.047 10 0 DGAEHM O=C([O-])[C@H]1CCC[C@H](NCc2ccccc2Br)C1 ZINC000070571073 431252516 /nfs/dbraw/zinc/25/25/16/431252516.db2.gz COTSSZIRDVEMOS-JQWIXIFHSA-N -1 3 312.207 3.182 10 0 DGAEHM COc1ccc([O-])c(C(=O)N2CC=C(c3cccs3)CC2)c1 ZINC000117719604 431576656 /nfs/dbraw/zinc/57/66/56/431576656.db2.gz WLWXSTDRHFZYDL-UHFFFAOYSA-N -1 3 315.394 3.392 10 0 DGAEHM O=C(Nc1ccc(F)cn1)c1c[n-]nc1-c1ccc(F)cc1 ZINC000079628643 431738114 /nfs/dbraw/zinc/73/81/14/431738114.db2.gz IUFJCZNIRYTNEC-UHFFFAOYSA-N -1 3 300.268 3.002 10 0 DGAEHM CCc1ccc([O-])c(C(=O)N(CC)CCc2nccs2)c1 ZINC000122236536 431822998 /nfs/dbraw/zinc/82/29/98/431822998.db2.gz VUBNOPGXNGJSLO-UHFFFAOYSA-N -1 3 304.415 3.116 10 0 DGAEHM C[C@@H]1C[C@@H](N(C)C(=O)c2ccc3ccccc3c2[O-])CCN1C ZINC000124747717 431903682 /nfs/dbraw/zinc/90/36/82/431903682.db2.gz RAWDXUJWJCSLOY-HIFRSBDPSA-N -1 3 312.413 3.100 10 0 DGAEHM Cc1ccc([C@H]2CCCCN2C(=O)c2ccc(O)cc2[O-])o1 ZINC000127820690 431981267 /nfs/dbraw/zinc/98/12/67/431981267.db2.gz LXPYWJXEZGMBPH-CQSZACIVSA-N -1 3 301.342 3.367 10 0 DGAEHM C[C@]1(C(=O)Nc2nnc(C(F)(F)F)[n-]2)CCCc2ccccc21 ZINC000102889650 431999934 /nfs/dbraw/zinc/99/99/34/431999934.db2.gz CRNZAHWZWGHVKY-AWEZNQCLSA-N -1 3 324.306 3.056 10 0 DGAEHM C[C@]1(C(=O)Nc2nc(C(F)(F)F)n[n-]2)CCCc2ccccc21 ZINC000102889650 431999936 /nfs/dbraw/zinc/99/99/36/431999936.db2.gz CRNZAHWZWGHVKY-AWEZNQCLSA-N -1 3 324.306 3.056 10 0 DGAEHM COc1cccc(F)c1[C@H](C)N[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000192738013 432407449 /nfs/dbraw/zinc/40/74/49/432407449.db2.gz IGLWNOAKUDKTBS-QWRGUYRKSA-N -1 3 305.353 3.050 10 0 DGAEHM O=C(NCc1ccc(C(F)F)cc1)NCc1ccc([O-])c(F)c1 ZINC000184451016 432393596 /nfs/dbraw/zinc/39/35/96/432393596.db2.gz AJFVIXAJDCMXEH-UHFFFAOYSA-N -1 3 324.302 3.468 10 0 DGAEHM O=C(Nc1cccc([O-])c1F)c1csc(C(F)(F)F)n1 ZINC000193706881 432493613 /nfs/dbraw/zinc/49/36/13/432493613.db2.gz VPBCEMNHFVOPGO-UHFFFAOYSA-N -1 3 306.240 3.259 10 0 DGAEHM C[C@H](C(=O)[O-])N(Cc1ccccc1OCC(F)(F)F)C1CC1 ZINC000263050386 432515540 /nfs/dbraw/zinc/51/55/40/432515540.db2.gz DJWKFOXOBFKXEB-SNVBAGLBSA-N -1 3 317.307 3.065 10 0 DGAEHM Cc1nccn1CCCCSc1nc(C2CC2)cc(=O)[n-]1 ZINC000195078533 432599674 /nfs/dbraw/zinc/59/96/74/432599674.db2.gz SVULIBFPQKBDCT-UHFFFAOYSA-N -1 3 304.419 3.137 10 0 DGAEHM Cc1ccc([C@H]2CCCCN2C(=O)c2cccc3[n-]nnc32)o1 ZINC000188138750 432707656 /nfs/dbraw/zinc/70/76/56/432707656.db2.gz PLQSTRFAULNSDC-CQSZACIVSA-N -1 3 310.357 3.227 10 0 DGAEHM Cc1ccc([C@H]2CCCCN2C(=O)c2cccc3nn[n-]c32)o1 ZINC000188138750 432707660 /nfs/dbraw/zinc/70/76/60/432707660.db2.gz PLQSTRFAULNSDC-CQSZACIVSA-N -1 3 310.357 3.227 10 0 DGAEHM Cc1ccc([C@H]2CCCCN2C(=O)c2cccc3n[n-]nc32)o1 ZINC000188138750 432707664 /nfs/dbraw/zinc/70/76/64/432707664.db2.gz PLQSTRFAULNSDC-CQSZACIVSA-N -1 3 310.357 3.227 10 0 DGAEHM O=C(Cc1ccc([O-])cc1Cl)N[C@@H]1CCOc2ccccc21 ZINC000178224410 432709498 /nfs/dbraw/zinc/70/94/98/432709498.db2.gz VKICVZHMZSCJBB-OAHLLOKOSA-N -1 3 317.772 3.228 10 0 DGAEHM COc1ccc(O)cc1C(=O)Nc1cc(Cl)cc(C)c1[O-] ZINC000188930908 432753530 /nfs/dbraw/zinc/75/35/30/432753530.db2.gz TUWMILUXNPBWDM-UHFFFAOYSA-N -1 3 307.733 3.321 10 0 DGAEHM C[C@@H]1CCCN(Cc2cccc(Br)c2)[C@@H]1C(=O)[O-] ZINC000235321593 432743135 /nfs/dbraw/zinc/74/31/35/432743135.db2.gz OBEYFWRTPFAOMW-MFKMUULPSA-N -1 3 312.207 3.134 10 0 DGAEHM O=C([N-]c1cnns1)c1ncoc1-c1ccccc1Cl ZINC000189582473 432801959 /nfs/dbraw/zinc/80/19/59/432801959.db2.gz NUGNFOSMUAOFDP-UHFFFAOYSA-N -1 3 306.734 3.099 10 0 DGAEHM C[C@@H]1c2ccccc2O[C@H]1C(=O)N1CCCc2cccc([O-])c21 ZINC000182927768 289086377 /nfs/dbraw/zinc/08/63/77/289086377.db2.gz DFRVUHVJKNZXIE-KZULUSFZSA-N -1 3 309.365 3.236 10 0 DGAEHM C[C@H]1CCCN(Cc2ccccc2Br)[C@H]1C(=O)[O-] ZINC000300269860 433394253 /nfs/dbraw/zinc/39/42/53/433394253.db2.gz FFCBXNUTYBPNJT-GXFFZTMASA-N -1 3 312.207 3.134 10 0 DGAEHM CC(=O)c1csc(C(=O)[N-]c2cc(C3(C)CCCC3)on2)c1 ZINC000448409351 433410355 /nfs/dbraw/zinc/41/03/55/433410355.db2.gz FRQDGIJLGIGPOV-UHFFFAOYSA-N -1 3 318.398 4.023 10 0 DGAEHM Cc1ccc([O-])c(CNCc2ccsc2Br)n1 ZINC000282206048 433527332 /nfs/dbraw/zinc/52/73/32/433527332.db2.gz IRLKJAYDKLLRPY-UHFFFAOYSA-N -1 3 313.220 3.209 10 0 DGAEHM CO[C@H](C)[C@H](C)NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436865873 434142055 /nfs/dbraw/zinc/14/20/55/434142055.db2.gz UMXSNYCGDLAYKB-UONOGXRCSA-N -1 3 313.397 3.136 10 0 DGAEHM COc1ccc(Cl)cc1CNC(=O)c1ccc([O-])c(C)c1 ZINC000436928039 434175281 /nfs/dbraw/zinc/17/52/81/434175281.db2.gz RDQOVUYYBRVICB-UHFFFAOYSA-N -1 3 305.761 3.293 10 0 DGAEHM O=C(Nc1nnc(C2CCC2)[nH]1)c1ccc2ccccc2c1[O-] ZINC000436958687 434182154 /nfs/dbraw/zinc/18/21/54/434182154.db2.gz IYASPXGCIHJDNQ-UHFFFAOYSA-N -1 3 308.341 3.183 10 0 DGAEHM O=C(Nc1nc(C2CCC2)n[nH]1)c1ccc2ccccc2c1[O-] ZINC000436958687 434182163 /nfs/dbraw/zinc/18/21/63/434182163.db2.gz IYASPXGCIHJDNQ-UHFFFAOYSA-N -1 3 308.341 3.183 10 0 DGAEHM CCc1ccc([O-])c(C(=O)N2CCOc3cccc(F)c3C2)c1 ZINC000513919740 294487135 /nfs/dbraw/zinc/48/71/35/294487135.db2.gz DKFMSZWRAKVFIX-UHFFFAOYSA-N -1 3 315.344 3.129 10 0 DGAEHM Cc1cnc([C@@H](C)NCc2cccc([O-])c2Br)o1 ZINC000315513765 434166896 /nfs/dbraw/zinc/16/68/96/434166896.db2.gz FAXUCAJCSSIALD-SECBINFHSA-N -1 3 311.179 3.302 10 0 DGAEHM Cc1cccc2c(=O)c(C(=O)N3CCCC[C@@H]3C(F)F)c[n-]c12 ZINC000407970628 434531961 /nfs/dbraw/zinc/53/19/61/434531961.db2.gz LFBGEGWKMXLLKZ-CYBMUJFWSA-N -1 3 320.339 3.096 10 0 DGAEHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1cc2ccccc2s1 ZINC000525967180 295046023 /nfs/dbraw/zinc/04/60/23/295046023.db2.gz URJJNJDTCCSTMB-GFCCVEGCSA-N -1 3 313.382 3.150 10 0 DGAEHM CC1(C)CCC(CC(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)CC1 ZINC000525966969 295046091 /nfs/dbraw/zinc/04/60/91/295046091.db2.gz HVWAKLYARRPMSE-CQSZACIVSA-N -1 3 305.422 3.228 10 0 DGAEHM O=C(CC/C=C/c1ccccc1)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000527208764 295083628 /nfs/dbraw/zinc/08/36/28/295083628.db2.gz XONZHDKIAACYKK-UFNQUYMESA-N -1 3 311.385 3.115 10 0 DGAEHM Cc1ccc(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)c(Cl)c1C ZINC000527499201 295099255 /nfs/dbraw/zinc/09/92/55/295099255.db2.gz PDDHNQQBQPZXKJ-CYBMUJFWSA-N -1 3 319.792 3.206 10 0 DGAEHM O=C(Cc1cccc2ccccc21)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000527500103 295099299 /nfs/dbraw/zinc/09/92/99/295099299.db2.gz VQYMNVOIZZWYPQ-QGZVFWFLSA-N -1 3 321.380 3.018 10 0 DGAEHM CCC(C)(CC)NC(=O)c1cc([O-])cc(Br)c1 ZINC000528565917 295226226 /nfs/dbraw/zinc/22/62/26/295226226.db2.gz KDXKBFKDYBBMHC-UHFFFAOYSA-N -1 3 300.196 3.463 10 0 DGAEHM CCOc1cc(CN2CCC[C@@]23CCOC3)cc(Cl)c1[O-] ZINC000459532883 434597532 /nfs/dbraw/zinc/59/75/32/434597532.db2.gz XNAFJXQPYARPHA-INIZCTEOSA-N -1 3 311.809 3.199 10 0 DGAEHM [O-]c1c(OC(F)F)cc(Br)cc1OC(F)F ZINC000575677037 435043405 /nfs/dbraw/zinc/04/34/05/435043405.db2.gz QGYUQJFDDBOORG-UHFFFAOYSA-N -1 3 305.021 3.358 10 0 DGAEHM [O-]c1c(F)ccc(I)c1OC(F)(F)F ZINC000575707285 435049024 /nfs/dbraw/zinc/04/90/24/435049024.db2.gz TYYXFPDHARQKIF-UHFFFAOYSA-N -1 3 321.995 3.035 10 0 DGAEHM Cc1ccc([C@H]2CCCCN2C(=O)/C=C\c2cncc([O-])c2)o1 ZINC000493060969 435101422 /nfs/dbraw/zinc/10/14/22/435101422.db2.gz YPWFNQNVSHRCHX-QKIRZYONSA-N -1 3 312.369 3.456 10 0 DGAEHM C[C@H]1C[C@H]1CNC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000548362009 435685274 /nfs/dbraw/zinc/68/52/74/435685274.db2.gz PVGLVPHTESZFED-LRDDRELGSA-N -1 3 309.365 3.009 10 0 DGAEHM CSc1ccc(CNC(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000172564992 312751166 /nfs/dbraw/zinc/75/11/66/312751166.db2.gz LEBOYNGGIJMJAE-UHFFFAOYSA-N -1 3 320.389 3.253 10 0 DGAEHM CC(C)(C)n1cnc([N-]C(=O)c2cc3cc(F)ccc3o2)n1 ZINC000543173870 314117867 /nfs/dbraw/zinc/11/78/67/314117867.db2.gz BTFUECLHYJRXRB-UHFFFAOYSA-N -1 3 302.309 3.171 10 0 DGAEHM c1ccc(-c2ccc(CNC3(c4nn[n-]n4)CCCC3)cc2)cc1 ZINC000543710828 314151671 /nfs/dbraw/zinc/15/16/71/314151671.db2.gz JLTJPLBRVFTTPD-UHFFFAOYSA-N -1 3 319.412 3.426 10 0 DGAEHM c1ccc(-c2ccc(CNC3(c4nnn[n-]4)CCCC3)cc2)cc1 ZINC000543710828 314151673 /nfs/dbraw/zinc/15/16/73/314151673.db2.gz JLTJPLBRVFTTPD-UHFFFAOYSA-N -1 3 319.412 3.426 10 0 DGAEHM CC[C@@](C)([N-]S(=O)(=O)c1ccc(F)cc1C)C(F)(F)F ZINC000548474262 314451096 /nfs/dbraw/zinc/45/10/96/314451096.db2.gz JGKLHFPMQBAMGQ-LLVKDONJSA-N -1 3 313.316 3.143 10 0 DGAEHM O=C(NC[C@@H]1Cc2ccccc2O1)c1cc([O-])c2ccccc2c1 ZINC000569054103 315553811 /nfs/dbraw/zinc/55/38/11/315553811.db2.gz GJQDSIQBCPQVNV-INIZCTEOSA-N -1 3 319.360 3.279 10 0 DGAEHM C[C@@H]1CCN(C(=O)c2cccc3[n-]nnc32)[C@@H]1c1cccc(F)c1 ZINC000180111140 323221618 /nfs/dbraw/zinc/22/16/18/323221618.db2.gz ZKAFJOSIPYLTNP-DIFFPNOSSA-N -1 3 324.359 3.320 10 0 DGAEHM C[C@@H]1CCN(C(=O)c2cccc3nn[n-]c32)[C@@H]1c1cccc(F)c1 ZINC000180111140 323221621 /nfs/dbraw/zinc/22/16/21/323221621.db2.gz ZKAFJOSIPYLTNP-DIFFPNOSSA-N -1 3 324.359 3.320 10 0 DGAEHM C[C@@H]1CCN(C(=O)c2cccc3n[n-]nc32)[C@@H]1c1cccc(F)c1 ZINC000180111140 323221622 /nfs/dbraw/zinc/22/16/22/323221622.db2.gz ZKAFJOSIPYLTNP-DIFFPNOSSA-N -1 3 324.359 3.320 10 0 DGAEHM Cc1cccc(NCc2nc(C(F)(F)F)cc(=O)[n-]2)c1F ZINC000182324782 323293550 /nfs/dbraw/zinc/29/35/50/323293550.db2.gz RKIPUZUAIJXSEB-UHFFFAOYSA-N -1 3 301.243 3.261 10 0 DGAEHM CC/C=C\C[N-]S(=O)(=O)c1cc(C)c(Br)s1 ZINC000385001905 1177149647 /nfs/dbraw/zinc/14/96/47/1177149647.db2.gz MBIJYPYYQGHPGB-PLNGDYQASA-N -1 3 324.265 3.064 10 0 DGAEHM CSC[C@H]1CCCN1C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000183309589 533817060 /nfs/dbraw/zinc/81/70/60/533817060.db2.gz KPJNDGJQFMZFSH-CYBMUJFWSA-N -1 3 305.443 3.239 10 0 DGAEHM Cc1cnc([C@@H](C)NCc2cc([O-])ccc2Br)o1 ZINC000315494975 534620138 /nfs/dbraw/zinc/62/01/38/534620138.db2.gz XKIYUTZFSHGESS-SECBINFHSA-N -1 3 311.179 3.302 10 0 DGAEHM O=C(c1ccccc1[O-])N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000155521955 526808879 /nfs/dbraw/zinc/80/88/79/526808879.db2.gz VOELCSNCBPIDBJ-CQSZACIVSA-N -1 3 311.337 3.098 10 0 DGAEHM Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)c1ccc(C)cc1[O-] ZINC000156197859 527583329 /nfs/dbraw/zinc/58/33/29/527583329.db2.gz UIMSSPZRQWBBSZ-GFCCVEGCSA-N -1 3 315.417 3.452 10 0 DGAEHM O=C(Nc1ccc(OCCO)cc1)c1cc([O-])c2ccccc2c1 ZINC000472335689 546902766 /nfs/dbraw/zinc/90/27/66/546902766.db2.gz FEVACOHSDICLCA-UHFFFAOYSA-N -1 3 323.348 3.169 10 0 DGAEHM CCCc1cc(NC(=O)c2cc([O-])c3ccccc3c2)n(C)n1 ZINC000525928656 546967762 /nfs/dbraw/zinc/96/77/62/546967762.db2.gz IMPASYNHXIYGLV-UHFFFAOYSA-N -1 3 309.369 3.484 10 0 DGAEHM CC[C@@H]1CN(c2ccccc2)CCN1Cc1cccc(C(=O)[O-])c1 ZINC000263451331 658432333 /nfs/dbraw/zinc/43/23/33/658432333.db2.gz ZTKBJGWEHLBPII-GOSISDBHSA-N -1 3 324.424 3.486 10 0 DGAEHM O=C(CCC1CCCCC1)[N-]OCc1nc(-c2ccoc2)no1 ZINC000174145131 659415385 /nfs/dbraw/zinc/41/53/85/659415385.db2.gz LWWWKGVADNZLFO-UHFFFAOYSA-N -1 3 319.361 3.238 10 0 DGAEHM CCC1(CC)CN(Cc2cc(Cl)ccc2[O-])CC[S@]1=O ZINC000187554405 661886460 /nfs/dbraw/zinc/88/64/60/661886460.db2.gz CLJKZJJXXMWKRI-HXUWFJFHSA-N -1 3 315.866 3.169 10 0 DGAEHM CC[C@@H]([N-]S(=O)(=O)c1cnc(Cl)c(F)c1)C1CCCC1 ZINC000382767925 1177030717 /nfs/dbraw/zinc/03/07/17/1177030717.db2.gz ITBABBBSVTZGHY-GFCCVEGCSA-N -1 3 320.817 3.121 10 0 DGAEHM O=S(=O)(/C=C\c1cccc(Cl)c1)[N-]c1ncccc1F ZINC000588482735 1082430774 /nfs/dbraw/zinc/43/07/74/1082430774.db2.gz YLAUMSZFMKBHKN-VURMDHGXSA-N -1 3 312.753 3.287 10 0 DGAEHM CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000312331158 1094980694 /nfs/dbraw/zinc/98/06/94/1094980694.db2.gz AGRSGNLNQBNUMO-JOYOIKCWSA-N -1 3 320.817 3.121 10 0 DGAEHM O=C(NCc1ccc([O-])c(F)c1)N1CCC[C@H]1c1ccco1 ZINC000163744107 432042282 /nfs/dbraw/zinc/04/22/82/432042282.db2.gz GTBRSKOTMPBNPE-ZDUSSCGKSA-N -1 3 304.321 3.171 10 0 DGAEHM O=C(CSc1n[n-]c(COc2ccc(Cl)cc2)n1)C1CC1 ZINC000068043964 432049457 /nfs/dbraw/zinc/04/94/57/432049457.db2.gz SMUTWBONGBRTRC-UHFFFAOYSA-N -1 3 323.805 3.108 10 0 DGAEHM Cc1ccc([O-])c(CN[C@@H](C)c2nc(C3CCCCC3)no2)n1 ZINC000237525237 202272255 /nfs/dbraw/zinc/27/22/55/202272255.db2.gz WEFQYWACLPMGNV-LBPRGKRZSA-N -1 3 316.405 3.377 10 0 DGAEHM COc1ccc(Br)c(NCc2nc(C)ccc2[O-])c1 ZINC000091995751 193138265 /nfs/dbraw/zinc/13/82/65/193138265.db2.gz CPKPHNQUACABLH-UHFFFAOYSA-N -1 3 323.190 3.479 10 0 DGAEHM O=C([O-])[C@@H]1CN([C@@H]2CCc3ccc(F)cc32)C[C@H]1C(F)(F)F ZINC000262734024 304132780 /nfs/dbraw/zinc/13/27/80/304132780.db2.gz BXOXHZHYCHEYAV-JHJVBQTASA-N -1 3 317.282 3.008 10 0 DGAEHM CCCC[C@H](CC)CC(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000119282658 284139659 /nfs/dbraw/zinc/13/96/59/284139659.db2.gz FTCWRSLFCNOQPE-LBPRGKRZSA-N -1 3 303.410 3.355 10 0 DGAEHM CCCC[C@H](CC)CC(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000119282658 284139665 /nfs/dbraw/zinc/13/96/65/284139665.db2.gz FTCWRSLFCNOQPE-LBPRGKRZSA-N -1 3 303.410 3.355 10 0 DGAEHM CCc1cc(C(=O)[N-]c2nnc(C(F)F)s2)oc1CC ZINC000135214035 284465966 /nfs/dbraw/zinc/46/59/66/284465966.db2.gz LYQXGIXTJPLIKM-UHFFFAOYSA-N -1 3 301.318 3.446 10 0 DGAEHM Cc1ccc(NC(=O)c2c[n-]c3cc(Cl)ccc3c2=O)nc1 ZINC000041056063 183160335 /nfs/dbraw/zinc/16/03/35/183160335.db2.gz ISAABTYAXYZRBY-UHFFFAOYSA-N -1 3 313.744 3.137 10 0 DGAEHM Cc1ccc(NC(=O)c2cnc3cc(Cl)ccc3c2[O-])nc1 ZINC000041056063 183160336 /nfs/dbraw/zinc/16/03/36/183160336.db2.gz ISAABTYAXYZRBY-UHFFFAOYSA-N -1 3 313.744 3.137 10 0 DGAEHM O=c1[n-]c(-c2ccc(Br)cc2)nc2c1CCCC2 ZINC000042404106 183264539 /nfs/dbraw/zinc/26/45/39/183264539.db2.gz QNJHEDQCBXBGQX-UHFFFAOYSA-N -1 3 305.175 3.078 10 0 DGAEHM Cc1ccc([O-])c(C(=O)N2C[C@@H](c3ccccc3)OC[C@H]2C)c1 ZINC000110315634 194321517 /nfs/dbraw/zinc/32/15/17/194321517.db2.gz XJLZRKBQOWFFBK-KDOFPFPSSA-N -1 3 311.381 3.303 10 0 DGAEHM O=c1[n-]c(NCc2cccc(C(F)(F)F)c2)nc2c1CCCC2 ZINC000057343169 184034276 /nfs/dbraw/zinc/03/42/76/184034276.db2.gz PJXDDIPKVLEFOX-UHFFFAOYSA-N -1 3 323.318 3.280 10 0 DGAEHM O=c1cc(CSc2ccccc2)nc(NCc2ccco2)[n-]1 ZINC000058824193 184129129 /nfs/dbraw/zinc/12/91/29/184129129.db2.gz ZOGTWNFWBQABOF-UHFFFAOYSA-N -1 3 313.382 3.267 10 0 DGAEHM Cn1ccnc1-c1cc(NC(=O)c2cc3ccccc3s2)n[n-]1 ZINC000119678678 195015754 /nfs/dbraw/zinc/01/57/54/195015754.db2.gz ZZDASOXLVJYPRA-UHFFFAOYSA-N -1 3 323.381 3.277 10 0 DGAEHM Cn1ccnc1-c1cc(NC(=O)c2cc3ccccc3s2)[n-]n1 ZINC000119678678 195015757 /nfs/dbraw/zinc/01/57/57/195015757.db2.gz ZZDASOXLVJYPRA-UHFFFAOYSA-N -1 3 323.381 3.277 10 0 DGAEHM CC1(C)SC[C@H]1NCc1cccc([O-])c1Br ZINC000315365379 252916003 /nfs/dbraw/zinc/91/60/03/252916003.db2.gz FQMORTGBQQFPIK-SNVBAGLBSA-N -1 3 302.237 3.138 10 0 DGAEHM CO[C@@H]1CN(Cc2cc([O-])ccc2Br)CC[C@H]1C ZINC000249215717 285063750 /nfs/dbraw/zinc/06/37/50/285063750.db2.gz TUPHXDQJXXBFPN-QMTHXVAHSA-N -1 3 314.223 3.012 10 0 DGAEHM Cc1cc(F)cc2c(=O)c(C(=O)N3C[C@@H](C)CC[C@H]3C)c[n-]c12 ZINC000155517392 197062804 /nfs/dbraw/zinc/06/28/04/197062804.db2.gz QSSOOPUBZHHSND-CMPLNLGQSA-N -1 3 316.376 3.236 10 0 DGAEHM Cc1cc(F)cc2c(=O)c(C(=O)N3C[C@@H](C)CC[C@@H]3C)c[n-]c12 ZINC000155517137 291916976 /nfs/dbraw/zinc/91/69/76/291916976.db2.gz QSSOOPUBZHHSND-JQWIXIFHSA-N -1 3 316.376 3.236 10 0 DGAEHM Cc1ccc(C(=O)Nc2cncc(Br)c2)c([O-])c1 ZINC000301705055 285274430 /nfs/dbraw/zinc/27/44/30/285274430.db2.gz AYWUGTRXAJEGCB-UHFFFAOYSA-N -1 3 307.147 3.110 10 0 DGAEHM COc1cc(-c2noc(-c3ccc4c(c3[O-])CCCC4)n2)ccn1 ZINC000184870627 533456718 /nfs/dbraw/zinc/45/67/18/533456718.db2.gz MRBGEUIGXNNUKY-UHFFFAOYSA-N -1 3 323.352 3.392 10 0 DGAEHM CN1CCCN(C(=O)c2cccc([O-])c2)c2cc(F)ccc21 ZINC000357290408 285703392 /nfs/dbraw/zinc/70/33/92/285703392.db2.gz NIFRGDUYBUILHB-UHFFFAOYSA-N -1 3 300.333 3.018 10 0 DGAEHM O=C(N[C@H](c1ccc(F)cc1)[C@H]1CCCO1)c1cccc([O-])c1 ZINC000357349467 285727500 /nfs/dbraw/zinc/72/75/00/285727500.db2.gz SHGMTTCYQRTQRR-IAGOWNOFSA-N -1 3 315.344 3.181 10 0 DGAEHM Cc1noc([C@H]([N-]c2nc3ccccc3o2)C2CCOCC2)n1 ZINC000328608467 400182254 /nfs/dbraw/zinc/18/22/54/400182254.db2.gz ALXXVOFPZWWKRY-CQSZACIVSA-N -1 3 314.345 3.099 10 0 DGAEHM CCOC(=O)c1cc(NC(=O)c2cccc([O-])c2)ccc1Cl ZINC000611565150 400422451 /nfs/dbraw/zinc/42/24/51/400422451.db2.gz ZBUYHISYDRGWEM-UHFFFAOYSA-N -1 3 319.744 3.475 10 0 DGAEHM CC(=O)Nc1ncnc2[n-]c(-c3c(Cl)cccc3Cl)nc21 ZINC000118749378 400431194 /nfs/dbraw/zinc/43/11/94/400431194.db2.gz MWTWITODLUKBBG-UHFFFAOYSA-N -1 3 322.155 3.285 10 0 DGAEHM O=C([O-])C[C@@H]1CCCN(Cc2ccccc2Br)C1 ZINC000054300345 400817767 /nfs/dbraw/zinc/81/77/67/400817767.db2.gz UOFQLHBCBVDYTH-NSHDSACASA-N -1 3 312.207 3.136 10 0 DGAEHM CC(=O)c1ccc(C(=O)N[C@H](C)C2CCC(F)CC2)cc1[O-] ZINC000619955303 400937550 /nfs/dbraw/zinc/93/75/50/400937550.db2.gz ZIFYMKHJLWSWNY-PWQPVHBWSA-N -1 3 307.365 3.241 10 0 DGAEHM O=C(NC[C@@H]1CCC[C@@H]2C[C@@H]21)c1cc([O-])cc(Br)c1 ZINC000628086953 401522584 /nfs/dbraw/zinc/52/25/84/401522584.db2.gz HATSGBPJMGTYPE-BFVZDQMLSA-N -1 3 324.218 3.321 10 0 DGAEHM COc1ccc(O)cc1C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000189158923 286339827 /nfs/dbraw/zinc/33/98/27/286339827.db2.gz AVXKYVWEPNLFMT-NSHDSACASA-N -1 3 313.353 3.260 10 0 DGAEHM [O-]c1cc(F)cc(CNCc2ncc(-c3ccccc3)cn2)c1 ZINC000185628840 165011294 /nfs/dbraw/zinc/01/12/94/165011294.db2.gz UHJYLEJUNXVRKQ-UHFFFAOYSA-N -1 3 309.344 3.278 10 0 DGAEHM Cc1csc(C2CCN([C@H](C)c3nc(C)cc(=O)[n-]3)CC2)n1 ZINC000192562671 165296680 /nfs/dbraw/zinc/29/66/80/165296680.db2.gz AOLOZCBLDSXCSJ-GFCCVEGCSA-N -1 3 318.446 3.196 10 0 DGAEHM COc1cccc(C(=O)N2CCC[C@H]2c2cccs2)c1[O-] ZINC000194584179 165351104 /nfs/dbraw/zinc/35/11/04/165351104.db2.gz TXXSJSWRUJCIIE-LBPRGKRZSA-N -1 3 303.383 3.440 10 0 DGAEHM CC1(C)CO[C@H](c2ccccc2)CN1C(=O)c1cccc([O-])c1 ZINC000182314132 432177352 /nfs/dbraw/zinc/17/73/52/432177352.db2.gz KIUCNJQGLVPKQT-KRWDZBQOSA-N -1 3 311.381 3.385 10 0 DGAEHM Cc1cc(C)n([C@@H](C)C(=O)N2CC[C@@H](C)c3cccc([O-])c32)n1 ZINC000186281259 278678792 /nfs/dbraw/zinc/67/87/92/278678792.db2.gz CCLRRYRFQMCHTN-RISCZKNCSA-N -1 3 313.401 3.307 10 0 DGAEHM O=C(c1cccc([O-])c1)N1CC2(CCOCC2)c2ccccc21 ZINC000189822753 280208391 /nfs/dbraw/zinc/20/83/91/280208391.db2.gz XZVBJDCNOMMKPK-UHFFFAOYSA-N -1 3 309.365 3.101 10 0 DGAEHM CCCCc1nnc([N-]C(=O)c2scnc2C2CC2)s1 ZINC000089661134 431874056 /nfs/dbraw/zinc/87/40/56/431874056.db2.gz BYGJYKDVTZWVQT-UHFFFAOYSA-N -1 3 308.432 3.467 10 0 DGAEHM O=C([O-])[C@@H]1CCCCN1CCOc1c(Cl)cccc1Cl ZINC000035298105 431829073 /nfs/dbraw/zinc/82/90/73/431829073.db2.gz GVZJEHNBWDIGBB-LBPRGKRZSA-N -1 3 318.200 3.311 10 0 DGAEHM C[C@H]1C[C@@H](N(C)C(=O)c2cc3ccccc3cc2[O-])CCN1C ZINC000124514221 431896051 /nfs/dbraw/zinc/89/60/51/431896051.db2.gz PPYJBEFAZNPQSC-BBRMVZONSA-N -1 3 312.413 3.100 10 0 DGAEHM CCOC(=O)c1cc([O-])c2c(OC)cc(Cl)c(OC)c2c1 ZINC000095937705 431927356 /nfs/dbraw/zinc/92/73/56/431927356.db2.gz OKAARYZLKHAQPU-UHFFFAOYSA-N -1 3 310.733 3.393 10 0 DGAEHM Cc1cccc(C(=O)Nc2cc(-c3nccn3C)[n-]n2)c1Cl ZINC000151801680 432278360 /nfs/dbraw/zinc/27/83/60/432278360.db2.gz KGEAMLFBTZZHIQ-UHFFFAOYSA-N -1 3 315.764 3.024 10 0 DGAEHM Cc1cccc(C(=O)Nc2cc(-c3nccn3C)n[n-]2)c1Cl ZINC000151801680 432278362 /nfs/dbraw/zinc/27/83/62/432278362.db2.gz KGEAMLFBTZZHIQ-UHFFFAOYSA-N -1 3 315.764 3.024 10 0 DGAEHM O=[S@@](Cc1ncc(-c2cccc(F)c2)o1)c1cccc([O-])c1 ZINC000184068902 432352219 /nfs/dbraw/zinc/35/22/19/432352219.db2.gz JUQIUYJBVPAKPO-QFIPXVFZSA-N -1 3 317.341 3.494 10 0 DGAEHM CC(C)c1nc(C2(NC(=O)c3ccccc3[O-])CCCC2)no1 ZINC000175162125 432406450 /nfs/dbraw/zinc/40/64/50/432406450.db2.gz VALGHYNAQIRVHO-UHFFFAOYSA-N -1 3 315.373 3.098 10 0 DGAEHM Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)c1ccccc1[O-] ZINC000153404959 432406476 /nfs/dbraw/zinc/40/64/76/432406476.db2.gz KGPBRBLMJXTNMF-NSHDSACASA-N -1 3 301.390 3.143 10 0 DGAEHM O=C(C[C@@H]1CCOc2ccccc21)[N-]OCc1ccc(F)cc1 ZINC000184239113 432369383 /nfs/dbraw/zinc/36/93/83/432369383.db2.gz WJIOYKIDJKGIDX-AWEZNQCLSA-N -1 3 315.344 3.330 10 0 DGAEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H](C)CC(C)C)cc2)n1 ZINC000185273199 432485395 /nfs/dbraw/zinc/48/53/95/432485395.db2.gz YKNWBPHCYRTLNH-LBPRGKRZSA-N -1 3 313.401 3.366 10 0 DGAEHM COc1cccc(C(=O)Nc2ccc3scnc3c2)c1[O-] ZINC000195386397 432622071 /nfs/dbraw/zinc/62/20/71/432622071.db2.gz ZPJIQQCELOFKAY-UHFFFAOYSA-N -1 3 300.339 3.263 10 0 DGAEHM CO[C@H]1CN(Cc2cc([O-])ccc2Br)CC[C@@H]1C ZINC000188309027 432718481 /nfs/dbraw/zinc/71/84/81/432718481.db2.gz TUPHXDQJXXBFPN-HZMBPMFUSA-N -1 3 314.223 3.012 10 0 DGAEHM COc1c(C)cc(CN(C)[C@@H](C)c2nc(C)cc(=O)[n-]2)cc1C ZINC000177920958 432674953 /nfs/dbraw/zinc/67/49/53/432674953.db2.gz YVYMGHOLAPUDEZ-AWEZNQCLSA-N -1 3 315.417 3.309 10 0 DGAEHM COc1ccc([O-])cc1C(=O)N1C[C@H]2CCC(=O)c3cccc1c32 ZINC000189150333 432766666 /nfs/dbraw/zinc/76/66/66/432766666.db2.gz GMMVSSGBQZWQDL-LLVKDONJSA-N -1 3 323.348 3.121 10 0 DGAEHM Fc1ccc(-c2csc([N-]c3ncnc4n[nH]cc43)n2)cc1 ZINC000163094156 432842182 /nfs/dbraw/zinc/84/21/82/432842182.db2.gz QCIUXARVVMEGQG-UHFFFAOYSA-N -1 3 312.333 3.359 10 0 DGAEHM CC(=O)c1cc(F)c([N-]C(=O)c2cnc(C3CC3)nc2)c(F)c1 ZINC000297860029 433026328 /nfs/dbraw/zinc/02/63/28/433026328.db2.gz QIOJFGIPZFGPJR-UHFFFAOYSA-N -1 3 317.295 3.087 10 0 DGAEHM CCc1cc(=O)[n-]c(CSCc2nc(C3CCCC3)no2)n1 ZINC000155671706 292713355 /nfs/dbraw/zinc/71/33/55/292713355.db2.gz NYLGVFKKRUXEJA-UHFFFAOYSA-N -1 3 320.418 3.219 10 0 DGAEHM C[C@@H]([N-]c1nc2ccccc2o1)C(=O)N1CCc2ccccc21 ZINC000301162596 433437488 /nfs/dbraw/zinc/43/74/88/433437488.db2.gz HPSAKTHGFNRNKD-GFCCVEGCSA-N -1 3 307.353 3.218 10 0 DGAEHM CC(=O)c1ccsc1NCc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000292096057 433461430 /nfs/dbraw/zinc/46/14/30/433461430.db2.gz OJKPAGPIOQRENN-UHFFFAOYSA-N -1 3 317.292 3.077 10 0 DGAEHM Cn1cccc1[C@H]1CCCCN1C(=O)Cc1ccc([O-])c(F)c1 ZINC000450017845 433929039 /nfs/dbraw/zinc/92/90/39/433929039.db2.gz NCXZBVZVJPYZRM-MRXNPFEDSA-N -1 3 316.376 3.166 10 0 DGAEHM CC(C)c1ccc(C(=O)NC[C@H](CO)c2ccccc2)c([O-])c1 ZINC000436588405 434025198 /nfs/dbraw/zinc/02/51/98/434025198.db2.gz SWJVJOPGVDSYJM-MRXNPFEDSA-N -1 3 313.397 3.022 10 0 DGAEHM COc1cc(C)cc(C(=O)Nc2ccc3c(c2)CCCO3)c1[O-] ZINC000436544587 433999184 /nfs/dbraw/zinc/99/91/84/433999184.db2.gz LERAEGBWIURVOV-UHFFFAOYSA-N -1 3 313.353 3.287 10 0 DGAEHM CC(C)COc1ccc(CCNC(=O)c2cccc([O-])c2)cc1 ZINC000509300612 294345909 /nfs/dbraw/zinc/34/59/09/294345909.db2.gz LYZNJPBLBPMCKZ-UHFFFAOYSA-N -1 3 313.397 3.400 10 0 DGAEHM [O-]c1ccccc1-c1nc(-c2cccc(-n3ccnc3)c2)no1 ZINC000436940066 434180132 /nfs/dbraw/zinc/18/01/32/434180132.db2.gz SYOXQZZQQYODTD-UHFFFAOYSA-N -1 3 304.309 3.295 10 0 DGAEHM [O-]c1ccc(-c2noc(-c3ncsc3Br)n2)cc1 ZINC000436948688 434180413 /nfs/dbraw/zinc/18/04/13/434180413.db2.gz PJTLHFQOCZUMNU-UHFFFAOYSA-N -1 3 324.159 3.328 10 0 DGAEHM CCc1noc(C)c1CNC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436950414 434185429 /nfs/dbraw/zinc/18/54/29/434185429.db2.gz VNKWYUXWYRRUHI-UHFFFAOYSA-N -1 3 302.374 3.304 10 0 DGAEHM C[C@H]1C[C@@H]1CNC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436987841 434191946 /nfs/dbraw/zinc/19/19/46/434191946.db2.gz KIEKNAZXFNHNIY-DZGCQCFKSA-N -1 3 311.381 3.357 10 0 DGAEHM Cc1ccc(NC(=O)N(C)C)cc1NC(=O)c1cccc([O-])c1 ZINC000437920512 434368316 /nfs/dbraw/zinc/36/83/16/434368316.db2.gz GMHSIGRHORWFMD-UHFFFAOYSA-N -1 3 313.357 3.046 10 0 DGAEHM CCOCc1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000438735153 434527504 /nfs/dbraw/zinc/52/75/04/434527504.db2.gz ZDPLQIAGIUVBEP-UHFFFAOYSA-N -1 3 323.389 3.471 10 0 DGAEHM CCSc1ccccc1C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000527209417 295083611 /nfs/dbraw/zinc/08/36/11/295083611.db2.gz SLSNIXCKMWKOTL-CYBMUJFWSA-N -1 3 317.414 3.047 10 0 DGAEHM CCc1ccc(I)c([O-])c1OC(F)F ZINC000575657045 435040098 /nfs/dbraw/zinc/04/00/98/435040098.db2.gz ZHDFNRUDJTVXFS-UHFFFAOYSA-N -1 3 314.069 3.161 10 0 DGAEHM CCc1ccc(OC(F)F)c([O-])c1I ZINC000575656256 435040105 /nfs/dbraw/zinc/04/01/05/435040105.db2.gz RWNDSPZBLJPFMS-UHFFFAOYSA-N -1 3 314.069 3.161 10 0 DGAEHM [O-]c1cc(Br)cc(OC(F)F)c1OC(F)F ZINC000575678193 435042544 /nfs/dbraw/zinc/04/25/44/435042544.db2.gz XGPRQXLILOYVRO-UHFFFAOYSA-N -1 3 305.021 3.358 10 0 DGAEHM CC(=O)c1cccc(NC(=O)c2c(C)[nH]nc2C(C)C)c1[O-] ZINC000579713212 435176998 /nfs/dbraw/zinc/17/69/98/435176998.db2.gz CDBXJRJGYIFXLA-UHFFFAOYSA-N -1 3 301.346 3.002 10 0 DGAEHM CC(=O)c1cccc(NC(=O)c2c(C)n[nH]c2C(C)C)c1[O-] ZINC000579713212 435177002 /nfs/dbraw/zinc/17/70/02/435177002.db2.gz CDBXJRJGYIFXLA-UHFFFAOYSA-N -1 3 301.346 3.002 10 0 DGAEHM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1Cc1cn2cc(Cl)ccc2n1 ZINC000530180448 313335576 /nfs/dbraw/zinc/33/55/76/313335576.db2.gz ZWHMIKAIYGUSBO-ZSBIGDGJSA-N -1 3 321.808 3.061 10 0 DGAEHM COC(=O)c1cc(C(=O)C[C@](C)(O)CCC=C(C)C)ccc1[O-] ZINC000584652956 337381169 /nfs/dbraw/zinc/38/11/69/337381169.db2.gz YGDUITRJVSCYTJ-GOSISDBHSA-N -1 3 320.385 3.249 10 0 DGAEHM CCc1ccc([O-])c(C(=O)N2CCO[C@H](c3ccsc3)C2)c1 ZINC000163402268 523998400 /nfs/dbraw/zinc/99/84/00/523998400.db2.gz LPABLAKGMLAJPA-INIZCTEOSA-N -1 3 317.410 3.230 10 0 DGAEHM O=c1cc(CN2CCSCC2)nc(-c2cccc(Cl)c2)[n-]1 ZINC000073637695 526332647 /nfs/dbraw/zinc/33/26/47/526332647.db2.gz RBQKDYZOGYQQAG-UHFFFAOYSA-N -1 3 321.833 3.051 10 0 DGAEHM CC(C)(C)C[C@H]1CCCN1C(=O)c1cc(F)cc2[n-]nnc21 ZINC000328655680 527703833 /nfs/dbraw/zinc/70/38/33/527703833.db2.gz NBBMCCCBDFMMDA-LLVKDONJSA-N -1 3 304.369 3.138 10 0 DGAEHM CC(C)(C)C[C@H]1CCCN1C(=O)c1cc(F)cc2nn[n-]c21 ZINC000328655680 527703835 /nfs/dbraw/zinc/70/38/35/527703835.db2.gz NBBMCCCBDFMMDA-LLVKDONJSA-N -1 3 304.369 3.138 10 0 DGAEHM CC(C)(C)C[C@H]1CCCN1C(=O)c1cc(F)cc2n[n-]nc21 ZINC000328655680 527703837 /nfs/dbraw/zinc/70/38/37/527703837.db2.gz NBBMCCCBDFMMDA-LLVKDONJSA-N -1 3 304.369 3.138 10 0 DGAEHM COc1ccc([O-])c(C(=O)Nc2cc(C(F)(F)F)ccn2)c1 ZINC000180566228 546146395 /nfs/dbraw/zinc/14/63/95/546146395.db2.gz NMAKBWWOJYERFH-UHFFFAOYSA-N -1 3 312.247 3.067 10 0 DGAEHM C[C@@]12CN(C(=O)NCc3ccc([O-])c(F)c3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000333677406 546509557 /nfs/dbraw/zinc/50/95/57/546509557.db2.gz ZEZYVSXRDWQQLC-COJSNBRMSA-N -1 3 318.392 3.109 10 0 DGAEHM Cc1ccc(C(N)=O)cc1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000471958155 546902784 /nfs/dbraw/zinc/90/27/84/546902784.db2.gz XETUSVLLZQNQMT-UHFFFAOYSA-N -1 3 320.348 3.205 10 0 DGAEHM COc1ccc2cc(-c3nc4ccc(O)cc4c(=O)[n-]3)ccc2c1 ZINC000484965060 546913381 /nfs/dbraw/zinc/91/33/81/546913381.db2.gz UPKMHEXITNTZIX-UHFFFAOYSA-N -1 3 318.332 3.458 10 0 DGAEHM CC[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(Cl)c1Cl ZINC000675067582 548148496 /nfs/dbraw/zinc/14/84/96/548148496.db2.gz JTXVSEULOAKASN-UHFFFAOYSA-N -1 3 322.135 3.310 10 0 DGAEHM O=C(NC(C1CCCC1)C1CCCC1)c1ccc2n[n-]nc2c1 ZINC000735473867 574703285 /nfs/dbraw/zinc/70/32/85/574703285.db2.gz FEABPMOXDPJCOQ-UHFFFAOYSA-N -1 3 312.417 3.437 10 0 DGAEHM CO[C@H](C)c1cccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)c1 ZINC000255334918 655702322 /nfs/dbraw/zinc/70/23/22/655702322.db2.gz HRCNBLKDWTXERQ-ZSAINHDTSA-N -1 3 322.364 3.117 10 0 DGAEHM C[C@@H](NCc1cccc([O-])c1Br)c1ccns1 ZINC000715899640 661215508 /nfs/dbraw/zinc/21/55/08/661215508.db2.gz OIPYGEUEZAIELE-MRVPVSSYSA-N -1 3 313.220 3.462 10 0 DGAEHM N#Cc1ccc(CO[N-]C(=O)CCCc2ccccc2)cc1F ZINC000190074059 656158584 /nfs/dbraw/zinc/15/85/84/656158584.db2.gz UEOLZDWBZJNLEF-UHFFFAOYSA-N -1 3 312.344 3.268 10 0 DGAEHM CCc1ccc(CN2C[C@H](C(=O)[O-])[C@@H](C(F)(F)F)C2)s1 ZINC000720367777 657506610 /nfs/dbraw/zinc/50/66/10/657506610.db2.gz MQTYJZXVTKXZEA-QWRGUYRKSA-N -1 3 307.337 3.005 10 0 DGAEHM CC[C@@]1(C(=O)[O-])CCCN(Cc2cc(Cl)ccc2OC)C1 ZINC000062877518 659352709 /nfs/dbraw/zinc/35/27/09/659352709.db2.gz CAKNLEBLLSEWRN-MRXNPFEDSA-N -1 3 311.809 3.425 10 0 DGAEHM CCC1(C[N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)CCC1 ZINC000233079508 1202602291 /nfs/dbraw/zinc/60/22/91/1202602291.db2.gz ANIYYZMRCFPOOK-UHFFFAOYSA-N -1 3 323.245 3.247 10 0 DGAEHM CCN(CC)c1ccc(NC(=O)c2c([O-])cccc2OC)cc1 ZINC000170248525 1203833570 /nfs/dbraw/zinc/83/35/70/1203833570.db2.gz XMBPRHAHJQWKJX-UHFFFAOYSA-N -1 3 314.385 3.499 10 0 DGAEHM CCn1c(=O)[n-]nc1SCc1cccc2c1OC(C)(C)C2 ZINC000328724649 231322021 /nfs/dbraw/zinc/32/20/21/231322021.db2.gz BADMHQPNKBHDKI-UHFFFAOYSA-N -1 3 305.403 3.009 10 0 DGAEHM Cc1ccc([O-])c(CN[C@H](COCC(C)C)c2ccco2)n1 ZINC000103344711 432007228 /nfs/dbraw/zinc/00/72/28/432007228.db2.gz NKIRQVJGRDOYBB-OAHLLOKOSA-N -1 3 304.390 3.192 10 0 DGAEHM Cc1ccccc1C(C)(C)C(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000179050199 432035253 /nfs/dbraw/zinc/03/52/53/432035253.db2.gz DELNNLJHHFKRBU-UHFFFAOYSA-N -1 3 323.400 3.035 10 0 DGAEHM Cc1ccccc1C(C)(C)C(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000179050199 432035258 /nfs/dbraw/zinc/03/52/58/432035258.db2.gz DELNNLJHHFKRBU-UHFFFAOYSA-N -1 3 323.400 3.035 10 0 DGAEHM CC(C)CCOc1cccc(CN2CCC(C(=O)[O-])CC2)c1 ZINC000003747762 181044660 /nfs/dbraw/zinc/04/46/60/181044660.db2.gz RMZZJENZAOWICZ-UHFFFAOYSA-N -1 3 305.418 3.408 10 0 DGAEHM Cc1ccc(C(=O)N2CCC[C@@H]2c2noc(C(C)C)n2)c([O-])c1 ZINC000179646925 199069348 /nfs/dbraw/zinc/06/93/48/199069348.db2.gz QMPCSFPBCJJPFD-CYBMUJFWSA-N -1 3 315.373 3.184 10 0 DGAEHM CCc1cc(C(=O)Nc2nnc(-c3ccco3)[n-]2)oc1CC ZINC000134865287 432088074 /nfs/dbraw/zinc/08/80/74/432088074.db2.gz VEKPLVHADFDSIP-UHFFFAOYSA-N -1 3 300.318 3.035 10 0 DGAEHM CCc1cc(C(=O)Nc2nc(-c3ccco3)n[n-]2)oc1CC ZINC000134865287 432088075 /nfs/dbraw/zinc/08/80/75/432088075.db2.gz VEKPLVHADFDSIP-UHFFFAOYSA-N -1 3 300.318 3.035 10 0 DGAEHM CCc1cc(C(=O)Nc2n[n-]c(-c3ccco3)n2)oc1CC ZINC000134865287 432088078 /nfs/dbraw/zinc/08/80/78/432088078.db2.gz VEKPLVHADFDSIP-UHFFFAOYSA-N -1 3 300.318 3.035 10 0 DGAEHM CCOc1ccc(NC(=O)c2cccc(OC)c2[O-])cc1F ZINC000079214618 283876193 /nfs/dbraw/zinc/87/61/93/283876193.db2.gz ABQIGUOZQQJYCS-UHFFFAOYSA-N -1 3 305.305 3.191 10 0 DGAEHM COc1cccc(C(=O)Nc2cccc(-c3cnco3)c2)c1[O-] ZINC000171188523 432111564 /nfs/dbraw/zinc/11/15/64/432111564.db2.gz RJHAQDUHLILAES-UHFFFAOYSA-N -1 3 310.309 3.308 10 0 DGAEHM COc1ccc([O-])c(C(=O)N(C)Cc2ccc(F)cc2Cl)c1 ZINC000107159057 284052386 /nfs/dbraw/zinc/05/23/86/284052386.db2.gz YSNVACZSMGRUNR-UHFFFAOYSA-N -1 3 323.751 3.466 10 0 DGAEHM Cc1n[nH]c2cc([N-]S(=O)(=O)c3ccc(C)cc3C)ccc12 ZINC000093909157 193326927 /nfs/dbraw/zinc/32/69/27/193326927.db2.gz FUNPCYBQVSZSMS-UHFFFAOYSA-N -1 3 315.398 3.289 10 0 DGAEHM Cc1[nH]nc2cc([N-]S(=O)(=O)c3ccc(C)cc3C)ccc12 ZINC000093909157 193326928 /nfs/dbraw/zinc/32/69/28/193326928.db2.gz FUNPCYBQVSZSMS-UHFFFAOYSA-N -1 3 315.398 3.289 10 0 DGAEHM COc1ccc([O-])c(C(=O)N(C)[C@@H](C)Cc2ccc(C)cc2)c1 ZINC000129060022 284396184 /nfs/dbraw/zinc/39/61/84/284396184.db2.gz VPHGOOASYLXLTO-AWEZNQCLSA-N -1 3 313.397 3.412 10 0 DGAEHM O=C(c1cccc([O-])c1)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000181894758 432148218 /nfs/dbraw/zinc/14/82/18/432148218.db2.gz WCJBYZPETJPTBL-UHFFFAOYSA-N -1 3 310.328 3.211 10 0 DGAEHM CCCNc1ncnc([N-]c2nc3ccccc3s2)c1N ZINC000040707735 183120489 /nfs/dbraw/zinc/12/04/89/183120489.db2.gz HVLFXAYOAKVVPG-UHFFFAOYSA-N -1 3 300.391 3.234 10 0 DGAEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccsc3)cc2)n1 ZINC000064342729 184294894 /nfs/dbraw/zinc/29/48/94/184294894.db2.gz UCCSMYYKEDGKQR-UHFFFAOYSA-N -1 3 311.366 3.059 10 0 DGAEHM Cn1ccnc1-c1cc(NC(=O)CC(C)(C)c2ccccc2)n[n-]1 ZINC000119640914 195007058 /nfs/dbraw/zinc/00/70/58/195007058.db2.gz XYZQZNRXMWPUCB-UHFFFAOYSA-N -1 3 323.400 3.117 10 0 DGAEHM Cn1ccnc1-c1cc(NC(=O)CC(C)(C)c2ccccc2)[n-]n1 ZINC000119640914 195007061 /nfs/dbraw/zinc/00/70/61/195007061.db2.gz XYZQZNRXMWPUCB-UHFFFAOYSA-N -1 3 323.400 3.117 10 0 DGAEHM Cc1ccc([O-])c(C(=O)N2CCC[C@H]2c2noc(C(C)C)n2)c1 ZINC000156525883 197121107 /nfs/dbraw/zinc/12/11/07/197121107.db2.gz WREDMFVIAKZHGW-ZDUSSCGKSA-N -1 3 315.373 3.184 10 0 DGAEHM Cc1cc(F)cc2c(=O)c(C(=O)N3C[C@H](C)CC[C@@H]3C)c[n-]c12 ZINC000155517022 197061971 /nfs/dbraw/zinc/06/19/71/197061971.db2.gz QSSOOPUBZHHSND-PWSUYJOCSA-N -1 3 316.376 3.236 10 0 DGAEHM Cc1cc(=O)[n-]c([C@@H](C)N2CCc3c(Cl)cc(F)cc3C2)n1 ZINC000451163562 291972047 /nfs/dbraw/zinc/97/20/47/291972047.db2.gz RFBLYVYQMJDVER-SNVBAGLBSA-N -1 3 321.783 3.402 10 0 DGAEHM CCS(=O)(=O)[N-]c1cc(F)c(Br)c(Cl)c1 ZINC000306870343 400126856 /nfs/dbraw/zinc/12/68/56/400126856.db2.gz VDZMGWMUGMKUGD-UHFFFAOYSA-N -1 3 316.579 3.003 10 0 DGAEHM Cc1nnc([N-]C(=O)c2ccc(-c3ccc(F)cc3)o2)s1 ZINC000019627498 400186603 /nfs/dbraw/zinc/18/66/03/400186603.db2.gz FWQYOLZVVNGYBX-UHFFFAOYSA-N -1 3 303.318 3.498 10 0 DGAEHM Cc1ccc([C@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2F)o1 ZINC000021188258 400191757 /nfs/dbraw/zinc/19/17/57/400191757.db2.gz SVRHBQJAHUYGGU-VIFPVBQESA-N -1 3 317.769 3.420 10 0 DGAEHM COc1ccc2nc(C(F)(F)F)c(=O)c(Br)c-2[n-]1 ZINC000149917655 400662166 /nfs/dbraw/zinc/66/21/66/400662166.db2.gz SWYBHJDPBHUJIT-UHFFFAOYSA-N -1 3 323.068 3.125 10 0 DGAEHM O=C(N[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1)c1cccc([O-])c1 ZINC000358054069 285959239 /nfs/dbraw/zinc/95/92/39/285959239.db2.gz AUBAGJLMMIWWFV-LSDHHAIUSA-N -1 3 319.307 3.280 10 0 DGAEHM CC(=O)c1cnc([N-]C(=O)c2cnc(-c3ccco3)s2)s1 ZINC000172526191 400831533 /nfs/dbraw/zinc/83/15/33/400831533.db2.gz BBMLZRUTCCSVRO-UHFFFAOYSA-N -1 3 319.367 3.315 10 0 DGAEHM C[C@H]1CSCCN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000606451809 400916002 /nfs/dbraw/zinc/91/60/02/400916002.db2.gz XKKPKFJFQFUAPB-JTQLQIEISA-N -1 3 315.398 3.019 10 0 DGAEHM O=C(N[C@]12C[C@H]1CCCC2)c1cc([O-])cc(Br)c1 ZINC000634084920 401202272 /nfs/dbraw/zinc/20/22/72/401202272.db2.gz WLLYWQKPLIXHQQ-QMTHXVAHSA-N -1 3 310.191 3.217 10 0 DGAEHM Cn1nc(C(=O)[O-])cc1CN[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000635305488 401429669 /nfs/dbraw/zinc/42/96/69/401429669.db2.gz XNAONFDOMRINGI-OAHLLOKOSA-N -1 3 319.792 3.013 10 0 DGAEHM CC(C)(CNC(=O)c1cccc([O-])c1)Oc1cc(F)cc(F)c1 ZINC000359096515 286235874 /nfs/dbraw/zinc/23/58/74/286235874.db2.gz DECCJCHGLXHOBK-UHFFFAOYSA-N -1 3 321.323 3.258 10 0 DGAEHM CC1(C)CN(C(=O)c2cccc([O-])c2)CC[C@@H]1C(F)(F)F ZINC000190696007 165213558 /nfs/dbraw/zinc/21/35/58/165213558.db2.gz IUEMWHLFKBKSBX-LBPRGKRZSA-N -1 3 301.308 3.443 10 0 DGAEHM COc1ccccc1C[C@H]1CCCN1C(=O)c1cccc([O-])c1 ZINC000182254311 432172617 /nfs/dbraw/zinc/17/26/17/432172617.db2.gz GEGWQRGRTGGDKU-MRXNPFEDSA-N -1 3 311.381 3.248 10 0 DGAEHM C[C@@H]1CCCN(Cc2ccc(Br)cc2)[C@H]1C(=O)[O-] ZINC000300269799 287355208 /nfs/dbraw/zinc/35/52/08/287355208.db2.gz DYEWFHHCUUOJKQ-ZWNOBZJWSA-N -1 3 312.207 3.134 10 0 DGAEHM O=C(c1c[n-]c2ccccc2c1=O)N1CCC[C@]2(CC=CCC2)C1 ZINC000114434518 431388611 /nfs/dbraw/zinc/38/86/11/431388611.db2.gz KWISRQXRUQTLHL-HXUWFJFHSA-N -1 3 322.408 3.491 10 0 DGAEHM CCCSc1nc2c(cnn2-c2ccc(F)cc2)c(=O)[n-]1 ZINC000008628362 431403867 /nfs/dbraw/zinc/40/38/67/431403867.db2.gz ASGLIKHFSOPNIU-UHFFFAOYSA-N -1 3 304.350 3.162 10 0 DGAEHM COc1cccc(C(=O)N2C[C@@H](c3ccccc3)C[C@@H]2C)c1[O-] ZINC000115144484 431431730 /nfs/dbraw/zinc/43/17/30/431431730.db2.gz DBQJFXXOPURJPV-ZFWWWQNUSA-N -1 3 311.381 3.419 10 0 DGAEHM CC(=O)c1cnc([N-]C(=O)c2cc(-c3ccccc3)no2)s1 ZINC000078796050 431708081 /nfs/dbraw/zinc/70/80/81/431708081.db2.gz FVDINDVARFAGCX-UHFFFAOYSA-N -1 3 313.338 3.253 10 0 DGAEHM CCOc1c(F)cccc1C(=O)[N-]c1nnc(C(C)C)s1 ZINC000079692057 431740985 /nfs/dbraw/zinc/74/09/85/431740985.db2.gz JKVCPWWDVCFDER-UHFFFAOYSA-N -1 3 309.366 3.452 10 0 DGAEHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(F)=C(C)C)c2)n1 ZINC000153100664 432384273 /nfs/dbraw/zinc/38/42/73/432384273.db2.gz BLUSNKNBLUALIQ-UHFFFAOYSA-N -1 3 315.348 3.201 10 0 DGAEHM COc1ccc([C@H](C)N[C@@H](C)c2nc(C)cc(=O)[n-]2)cc1F ZINC000192723346 432405491 /nfs/dbraw/zinc/40/54/91/432405491.db2.gz PBIDMDBGLRYPKF-QWRGUYRKSA-N -1 3 305.353 3.050 10 0 DGAEHM CCOC(=O)c1c([O-])cc(C(F)(F)F)cc1Br ZINC000260262184 432427145 /nfs/dbraw/zinc/42/71/45/432427145.db2.gz OAVQRFJJCMXFDJ-UHFFFAOYSA-N -1 3 313.069 3.350 10 0 DGAEHM CC(=O)c1ccc(C(=O)N2Cc3ccccc3C3(CC3)C2)cc1[O-] ZINC000412262053 433129795 /nfs/dbraw/zinc/12/97/95/433129795.db2.gz QGFTXJZAHIECLF-UHFFFAOYSA-N -1 3 321.376 3.282 10 0 DGAEHM CC(=O)c1ccc(C(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1[O-] ZINC000412291936 433141798 /nfs/dbraw/zinc/14/17/98/433141798.db2.gz LIKHMTGHUDQZJI-JTQLQIEISA-N -1 3 315.291 3.009 10 0 DGAEHM c1nc(C2CC2)c(-c2nc(-c3ccc4n[n-]nc4c3)no2)s1 ZINC000350489746 433185298 /nfs/dbraw/zinc/18/52/98/433185298.db2.gz TVKWUDYKOMTBSO-UHFFFAOYSA-N -1 3 310.342 3.009 10 0 DGAEHM O=C(c1cc([O-])c2ccccc2c1)N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000376239288 433696615 /nfs/dbraw/zinc/69/66/15/433696615.db2.gz KIQHHJHVFMXCPP-HUUCEWRRSA-N -1 3 311.381 3.044 10 0 DGAEHM O=C(c1cccc([O-])c1)N1CCO[C@@H](c2ccc(Cl)s2)C1 ZINC000371590630 293214253 /nfs/dbraw/zinc/21/42/53/293214253.db2.gz ZNKIHZAXVUJTLE-GFCCVEGCSA-N -1 3 323.801 3.321 10 0 DGAEHM CO[C@@H](CNC(=O)c1cccc([O-])c1)c1ccc(Cl)cc1 ZINC000357362422 433973198 /nfs/dbraw/zinc/97/31/98/433973198.db2.gz HWQNSBSCAUAAMX-HNNXBMFYSA-N -1 3 305.761 3.163 10 0 DGAEHM COC[C@@](C)(NC(=O)c1ccc(C(C)C)cc1[O-])C(F)(F)F ZINC000436576341 434015179 /nfs/dbraw/zinc/01/51/79/434015179.db2.gz QNXXGBOHAUGTRY-CQSZACIVSA-N -1 3 319.323 3.213 10 0 DGAEHM COc1cccc(C(=O)N2CCC(C3CCCC3)CC2)c1[O-] ZINC000363574619 434087447 /nfs/dbraw/zinc/08/74/47/434087447.db2.gz IGJWQOZWIRGYLX-UHFFFAOYSA-N -1 3 303.402 3.443 10 0 DGAEHM O=C(Nc1cccc2c1OCCC2)c1c[n-]c2ccccc2c1=O ZINC000378161767 434099435 /nfs/dbraw/zinc/09/94/35/434099435.db2.gz ZDIDBFNFJMMEEE-UHFFFAOYSA-N -1 3 320.348 3.105 10 0 DGAEHM O=C(Nc1cccc2c1OCCC2)c1cnc2ccccc2c1[O-] ZINC000378161767 434099443 /nfs/dbraw/zinc/09/94/43/434099443.db2.gz ZDIDBFNFJMMEEE-UHFFFAOYSA-N -1 3 320.348 3.105 10 0 DGAEHM CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)c1cccc([O-])c1 ZINC000357506583 434053669 /nfs/dbraw/zinc/05/36/69/434053669.db2.gz ZBBZNAZTRVBGED-ZBEGNZNMSA-N -1 3 303.333 3.037 10 0 DGAEHM CC(=O)c1ccc(C(=O)Nc2ccc3oc(C)nc3c2)cc1[O-] ZINC000436858998 434139649 /nfs/dbraw/zinc/13/96/49/434139649.db2.gz JFQPMEZLCIVUAB-UHFFFAOYSA-N -1 3 310.309 3.297 10 0 DGAEHM C[C@@H]1C[C@H]1CNC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436987844 434193508 /nfs/dbraw/zinc/19/35/08/434193508.db2.gz KIEKNAZXFNHNIY-HIFRSBDPSA-N -1 3 311.381 3.357 10 0 DGAEHM O=S(=O)([N-]C1CCCCCC1)c1cccnc1C(F)(F)F ZINC000408114407 434542238 /nfs/dbraw/zinc/54/22/38/434542238.db2.gz FEFPLDMOKALMDQ-UHFFFAOYSA-N -1 3 322.352 3.102 10 0 DGAEHM CCc1ccc([O-])c(C(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)c1 ZINC000408261556 434556504 /nfs/dbraw/zinc/55/65/04/434556504.db2.gz QQTZNXRAZYHGQH-USXIJHARSA-N -1 3 317.429 3.110 10 0 DGAEHM CC(C)[C@H]1CC[C@H](C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)CC1 ZINC000525967507 295046012 /nfs/dbraw/zinc/04/60/12/295046012.db2.gz OPGYBDXPTDSWNW-UMVBOHGHSA-N -1 3 305.422 3.084 10 0 DGAEHM CC(C)c1nc2c([nH]1)C[C@H](C(=O)Nc1ccc(F)cc1[O-])CC2 ZINC000526009486 295051013 /nfs/dbraw/zinc/05/10/13/295051013.db2.gz UAXRDCYBSVXURM-SNVBAGLBSA-N -1 3 317.364 3.121 10 0 DGAEHM CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)Nc1ccc(F)cc1[O-])C2 ZINC000526009486 295051014 /nfs/dbraw/zinc/05/10/14/295051014.db2.gz UAXRDCYBSVXURM-SNVBAGLBSA-N -1 3 317.364 3.121 10 0 DGAEHM CC(C)c1nc2c([nH]1)C[C@H](C(=O)Nc1ccc([O-])cc1F)CC2 ZINC000527005852 295070004 /nfs/dbraw/zinc/07/00/04/295070004.db2.gz BAEFSOOBLMRPCY-SNVBAGLBSA-N -1 3 317.364 3.121 10 0 DGAEHM CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)Nc1ccc([O-])cc1F)C2 ZINC000527005852 295070005 /nfs/dbraw/zinc/07/00/05/295070005.db2.gz BAEFSOOBLMRPCY-SNVBAGLBSA-N -1 3 317.364 3.121 10 0 DGAEHM C[C@H](CC1CCCCC1)C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000527499612 295099148 /nfs/dbraw/zinc/09/91/48/295099148.db2.gz MZGPRIXNSYLFGO-DOMZBBRYSA-N -1 3 305.422 3.228 10 0 DGAEHM CC(=O)[C@@H](C)SCc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000360724525 434677320 /nfs/dbraw/zinc/67/73/20/434677320.db2.gz CGXHXEWYLQETOA-SECBINFHSA-N -1 3 302.355 3.292 10 0 DGAEHM CC(=O)c1ccsc1[N-]C(=O)c1snnc1C(C)(C)C ZINC000410897623 434688746 /nfs/dbraw/zinc/68/87/46/434688746.db2.gz SBCFSVMBHOROTN-UHFFFAOYSA-N -1 3 309.416 3.352 10 0 DGAEHM CC(=O)Nc1ccc([O-])c(C(=O)NCC2CCCCCC2)c1 ZINC000452789452 434716218 /nfs/dbraw/zinc/71/62/18/434716218.db2.gz GIOQSYXIRKZCAI-UHFFFAOYSA-N -1 3 304.390 3.051 10 0 DGAEHM CC(=O)c1ccc([N-]S(=O)(=O)CCC2CC2)cc1Cl ZINC000361006401 434761518 /nfs/dbraw/zinc/76/15/18/434761518.db2.gz FHRFBMIWYOYWLM-UHFFFAOYSA-N -1 3 301.795 3.084 10 0 DGAEHM CCc1cc([O-])c(I)c(OC(F)F)c1 ZINC000575654490 435038934 /nfs/dbraw/zinc/03/89/34/435038934.db2.gz FQCASEXEDMSVPG-UHFFFAOYSA-N -1 3 314.069 3.161 10 0 DGAEHM Cc1cc([O-])cc(I)c1Br ZINC000575693365 435045019 /nfs/dbraw/zinc/04/50/19/435045019.db2.gz RCWONBSAMZIAOB-UHFFFAOYSA-N -1 3 312.932 3.068 10 0 DGAEHM CC(C)[C@H]1N(C(=O)c2cc(=O)[n-]c(C3CC3)n2)CC12CCCC2 ZINC000579023886 435126958 /nfs/dbraw/zinc/12/69/58/435126958.db2.gz CKLFCRZGBOQZCX-OAHLLOKOSA-N -1 3 315.417 3.100 10 0 DGAEHM CCc1cccc(C(=O)N[C@@H](COC)c2ccc(F)cc2)c1[O-] ZINC000539872498 435577309 /nfs/dbraw/zinc/57/73/09/435577309.db2.gz BGBURWXJGALKHP-INIZCTEOSA-N -1 3 317.360 3.211 10 0 DGAEHM C[C@H]1C[C@@H]1CNC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000548362008 435685531 /nfs/dbraw/zinc/68/55/31/435685531.db2.gz PVGLVPHTESZFED-BLLLJJGKSA-N -1 3 309.365 3.009 10 0 DGAEHM CCc1noc(C)c1[N-]C(=O)c1cnc2onc(C(C)C)c2c1 ZINC000132708639 312648905 /nfs/dbraw/zinc/64/89/05/312648905.db2.gz MDRMQADJNZMFBF-UHFFFAOYSA-N -1 3 314.345 3.457 10 0 DGAEHM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1Cc1ncc(-c2ccccc2)o1 ZINC000530180332 313335286 /nfs/dbraw/zinc/33/52/86/313335286.db2.gz XSVSFGBKWQPMBW-STQMWFEESA-N -1 3 314.385 3.415 10 0 DGAEHM CCc1ccnc(CNC(=O)c2cc([O-])c3ccccc3c2)c1 ZINC000579063146 323815940 /nfs/dbraw/zinc/81/59/40/323815940.db2.gz SYLQAWFNCNRSEH-UHFFFAOYSA-N -1 3 306.365 3.433 10 0 DGAEHM CCn1nc(C)c(CNC(=O)c2cc([O-])c3ccccc3c2)c1C ZINC000525917025 546967356 /nfs/dbraw/zinc/96/73/56/546967356.db2.gz LEDLJBSHRSDEMW-UHFFFAOYSA-N -1 3 323.396 3.309 10 0 DGAEHM CO[C@@]1(C)C[C@H](NC(=O)c2cc([O-])c3ccccc3c2)C1(C)C ZINC000527467341 546970356 /nfs/dbraw/zinc/97/03/56/546970356.db2.gz NRHKQPQCDJJZEQ-LPHOPBHVSA-N -1 3 313.397 3.479 10 0 DGAEHM O=C([N-]c1nc(C2CC2)no1)c1csc(Br)c1 ZINC000734875162 574680317 /nfs/dbraw/zinc/68/03/17/574680317.db2.gz SILAQYDXQYCCFU-UHFFFAOYSA-N -1 3 314.164 3.023 10 0 DGAEHM CN(C)c1cc(-c2nc(-c3ccc([O-])cc3)no2)cc(Cl)n1 ZINC000735607804 574708888 /nfs/dbraw/zinc/70/88/88/574708888.db2.gz PZVLERFIWBQMTQ-UHFFFAOYSA-N -1 3 316.748 3.224 10 0 DGAEHM C[C@H](NCc1cscn1)c1cc(Br)ccc1[O-] ZINC000185246279 660211578 /nfs/dbraw/zinc/21/15/78/660211578.db2.gz TVPFOSJOZGTOFA-QMMMGPOBSA-N -1 3 313.220 3.462 10 0 DGAEHM C[C@@H](C(=O)[O-])N(Cc1ccc(Br)cc1F)C1CC1 ZINC000263367382 658209655 /nfs/dbraw/zinc/20/96/55/658209655.db2.gz WOQNWOOCNGAIRC-QMMMGPOBSA-N -1 3 316.170 3.026 10 0 DGAEHM C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(F)ccc1[O-] ZINC000183520014 660120463 /nfs/dbraw/zinc/12/04/63/660120463.db2.gz ZPZBCTJWOKSKKX-CSKARUKUSA-N -1 3 316.288 3.482 10 0 DGAEHM CCC1(CC)CN(Cc2cc(Cl)ccc2[O-])CC[S@@]1=O ZINC000187554388 661886328 /nfs/dbraw/zinc/88/63/28/661886328.db2.gz CLJKZJJXXMWKRI-FQEVSTJZSA-N -1 3 315.866 3.169 10 0 DGAEHM CO[C@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CC[C@H]1C ZINC000189364010 661976336 /nfs/dbraw/zinc/97/63/36/661976336.db2.gz KRPAYIRSWIVPTF-BMIGLBTASA-N -1 3 311.809 3.105 10 0 DGAEHM Cc1ccc([C@@H](C)N/C=C2/C(=O)[N-]C(=O)c3ccccc32)cc1F ZINC000086962770 662221420 /nfs/dbraw/zinc/22/14/20/662221420.db2.gz SCYYCVQTODVIQY-HMHNVIDESA-N -1 3 324.355 3.096 10 0 DGAEHM O=S(=O)([N-][C@H]1CCCc2ccccc21)c1cccnc1Cl ZINC000038105919 662289428 /nfs/dbraw/zinc/28/94/28/662289428.db2.gz DIXQHISAUBLTHW-ZDUSSCGKSA-N -1 3 322.817 3.091 10 0 DGAEHM COc1ccc(C(C)=CC(=O)Nc2n[n-]c(-c3ccco3)n2)cc1 ZINC000176444653 1203931011 /nfs/dbraw/zinc/93/10/11/1203931011.db2.gz BKAAQMCUBASYHT-ZHACJKMWSA-N -1 3 324.340 3.115 10 0 DGAEHM O=C(Cc1ccccc1)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000178992402 1204301627 /nfs/dbraw/zinc/30/16/27/1204301627.db2.gz MVKXGPREKFJSRA-UHFFFAOYSA-N -1 3 309.287 3.496 10 0 DGAEHM O=C(CC=Cc1ccc(F)cc1)Nc1nnc(C(F)(F)F)[n-]1 ZINC000255565897 1087064183 /nfs/dbraw/zinc/06/41/83/1087064183.db2.gz YACUBXGYBWCFPZ-UPHRSURJSA-N -1 3 314.242 3.005 10 0 DGAEHM O=C(CC=Cc1ccc(F)cc1)Nc1nc(C(F)(F)F)n[n-]1 ZINC000255565897 1087064188 /nfs/dbraw/zinc/06/41/88/1087064188.db2.gz YACUBXGYBWCFPZ-UPHRSURJSA-N -1 3 314.242 3.005 10 0 DGAEHM COc1ccc(C(=O)N(C)[C@@H](C)Cc2ccsc2)c([O-])c1 ZINC000175099962 1093548755 /nfs/dbraw/zinc/54/87/55/1093548755.db2.gz OKZZOBQERBWJOD-NSHDSACASA-N -1 3 305.399 3.166 10 0 DGAEHM COc1ccc2c(c1)CCC[C@]2(NCc1ccccc1)C(=O)[O-] ZINC000309559708 231099865 /nfs/dbraw/zinc/09/98/65/231099865.db2.gz PKQWHXDXCFCDQU-LJQANCHMSA-N -1 3 311.381 3.101 10 0 DGAEHM CC(=O)[C@@H](C)CCCCC(=O)Nc1nnc(-c2ccc(C)o2)[n-]1 ZINC000181882619 186214859 /nfs/dbraw/zinc/21/48/59/186214859.db2.gz HKQWGTVZVKIFIM-JTQLQIEISA-N -1 3 318.377 3.097 10 0 DGAEHM CC(=O)[C@@H](C)CCCCC(=O)Nc1nc(-c2ccc(C)o2)n[n-]1 ZINC000181882619 186214860 /nfs/dbraw/zinc/21/48/60/186214860.db2.gz HKQWGTVZVKIFIM-JTQLQIEISA-N -1 3 318.377 3.097 10 0 DGAEHM CC(=O)[C@@H](C)CCCCC(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000181882619 186214861 /nfs/dbraw/zinc/21/48/61/186214861.db2.gz HKQWGTVZVKIFIM-JTQLQIEISA-N -1 3 318.377 3.097 10 0 DGAEHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cccc2ccccc21 ZINC000072673331 191211790 /nfs/dbraw/zinc/21/17/90/191211790.db2.gz DENCGQKEHGXLMN-UHFFFAOYSA-N -1 3 306.247 3.229 10 0 DGAEHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cccc2ccccc21 ZINC000072673331 191211793 /nfs/dbraw/zinc/21/17/93/191211793.db2.gz DENCGQKEHGXLMN-UHFFFAOYSA-N -1 3 306.247 3.229 10 0 DGAEHM COc1ccc(C(=O)N2CCCC[C@H]2c2nccs2)c([O-])c1 ZINC000173380749 198208043 /nfs/dbraw/zinc/20/80/43/198208043.db2.gz OODAEPCPEMGJMT-ZDUSSCGKSA-N -1 3 318.398 3.225 10 0 DGAEHM CCO[C@H]1C[C@H](N(C)C(=O)c2ccccc2[O-])C12CCCC2 ZINC000134121129 432074165 /nfs/dbraw/zinc/07/41/65/432074165.db2.gz QOHSBKZYGGEASG-HOTGVXAUSA-N -1 3 303.402 3.202 10 0 DGAEHM CC(C)[C@@H]1C[C@H]1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000185090436 199808094 /nfs/dbraw/zinc/80/80/94/199808094.db2.gz NIYPTDUYJSULMA-WDEREUQCSA-N -1 3 312.207 3.063 10 0 DGAEHM Cc1nc([C@@H]2CCCN2C(=O)c2cccc(C)c2[O-])cs1 ZINC000186996614 200045192 /nfs/dbraw/zinc/04/51/92/200045192.db2.gz QUAIEEPWPDZMRK-AWEZNQCLSA-N -1 3 302.399 3.443 10 0 DGAEHM COc1ccc(-c2csc([N-]C(=O)c3ccno3)n2)cc1 ZINC000006551207 181353355 /nfs/dbraw/zinc/35/33/55/181353355.db2.gz ADQYKHNXVRWUQA-UHFFFAOYSA-N -1 3 301.327 3.059 10 0 DGAEHM Cc1cccc(C(=O)N2C[C@H](c3ccccc3)OC[C@@H]2C)c1[O-] ZINC000171209401 432112780 /nfs/dbraw/zinc/11/27/80/432112780.db2.gz KNVAIWAVRDPIOH-WMLDXEAASA-N -1 3 311.381 3.303 10 0 DGAEHM Cc1ccc([O-])c(C(=O)NCC2CCN(c3ccccc3)CC2)c1 ZINC000468020921 244017047 /nfs/dbraw/zinc/01/70/47/244017047.db2.gz XFUBLPIEKMJYKH-UHFFFAOYSA-N -1 3 324.424 3.347 10 0 DGAEHM CCc1ccc(C(=O)N2CCC(OCC(C)C)CC2)c([O-])c1 ZINC000190135619 432124642 /nfs/dbraw/zinc/12/46/42/432124642.db2.gz KSVDXXHQZWWMPZ-UHFFFAOYSA-N -1 3 305.418 3.232 10 0 DGAEHM COc1ccc2c(CC(=O)Nc3cccc([O-])c3F)coc2c1 ZINC000128320653 284370935 /nfs/dbraw/zinc/37/09/35/284370935.db2.gz ABQAREZPYOFSSB-UHFFFAOYSA-N -1 3 315.300 3.467 10 0 DGAEHM COc1cccc(C(=O)Nc2ccccc2Br)c1[O-] ZINC000019515042 182127608 /nfs/dbraw/zinc/12/76/08/182127608.db2.gz VXSUITSYLXJNDZ-UHFFFAOYSA-N -1 3 322.158 3.416 10 0 DGAEHM COc1cccc2c1[n-]cc(C(=O)Nc1ccc(C)cc1)c2=O ZINC000039962835 183025158 /nfs/dbraw/zinc/02/51/58/183025158.db2.gz SBBJLXRWNJBRMX-UHFFFAOYSA-N -1 3 308.337 3.097 10 0 DGAEHM COc1ccc(C(=O)Nc2c3ccccc3oc2C(=O)[O-])cc1 ZINC000040166174 183042722 /nfs/dbraw/zinc/04/27/22/183042722.db2.gz RQXCYKWEHHMXLI-UHFFFAOYSA-N -1 3 311.293 3.392 10 0 DGAEHM Nc1c([N-]c2nccs2)ncnc1Nc1ccc(F)cc1F ZINC000040780950 183133297 /nfs/dbraw/zinc/13/32/97/183133297.db2.gz WCTPYSGYNOHTBT-UHFFFAOYSA-N -1 3 320.328 3.281 10 0 DGAEHM O=C(Nc1ccc(F)cc1)c1c[n-]c2c(F)cccc2c1=O ZINC000041055675 183160275 /nfs/dbraw/zinc/16/02/75/183160275.db2.gz LLZCNNGDOLXWTN-UHFFFAOYSA-N -1 3 300.264 3.059 10 0 DGAEHM O=C(Nc1ccc(F)cc1)c1cnc2c(F)cccc2c1[O-] ZINC000041055675 183160276 /nfs/dbraw/zinc/16/02/76/183160276.db2.gz LLZCNNGDOLXWTN-UHFFFAOYSA-N -1 3 300.264 3.059 10 0 DGAEHM CCN(Cc1ccccc1Br)C(C)(C)C(=O)[O-] ZINC000061177359 184164601 /nfs/dbraw/zinc/16/46/01/184164601.db2.gz AEDAYGSDHPZWMV-UHFFFAOYSA-N -1 3 300.196 3.134 10 0 DGAEHM O=C(N[C@@H](c1ccccc1)c1ccncc1)c1ccccc1[O-] ZINC000121085716 195292025 /nfs/dbraw/zinc/29/20/25/195292025.db2.gz ODOJUOCQWYQLOW-SFHVURJKSA-N -1 3 304.349 3.307 10 0 DGAEHM COc1cccc(C(=O)NC[C@H](C)Cc2cccs2)c1[O-] ZINC000156162056 533409057 /nfs/dbraw/zinc/40/90/57/533409057.db2.gz LWOOOEFFSBJINQ-LLVKDONJSA-N -1 3 305.399 3.071 10 0 DGAEHM O=C([O-])c1ccccc1[C@H]1COCCN(Cc2ccccc2)C1 ZINC000616595348 400180318 /nfs/dbraw/zinc/18/03/18/400180318.db2.gz VOFGDJRIQMETMG-MRXNPFEDSA-N -1 3 311.381 3.001 10 0 DGAEHM Cc1csc(NC(=O)c2c[n-]nc2-c2ccc(F)cc2)n1 ZINC000010192360 400132649 /nfs/dbraw/zinc/13/26/49/400132649.db2.gz HMCPECJOOFTMKE-UHFFFAOYSA-N -1 3 302.334 3.233 10 0 DGAEHM CC(=O)c1ccc(C(=O)Nc2cncc3c2CCCC3)cc1[O-] ZINC000617100423 400309508 /nfs/dbraw/zinc/30/95/08/400309508.db2.gz WOIDEKNGFMJCRJ-UHFFFAOYSA-N -1 3 310.353 3.121 10 0 DGAEHM O=C1Nc2ccccc2C[C@H]1c1cc(Br)ccc1[O-] ZINC000034501537 400385856 /nfs/dbraw/zinc/38/58/56/400385856.db2.gz NUPSDFHIVJJEBQ-LBPRGKRZSA-N -1 3 318.170 3.433 10 0 DGAEHM COC(=O)c1ccc(-c2nc3c4ccccc4oc3c(=O)[n-]2)cc1 ZINC000117315054 400416441 /nfs/dbraw/zinc/41/64/41/400416441.db2.gz CRFKVOUBLXKBDS-UHFFFAOYSA-N -1 3 320.304 3.123 10 0 DGAEHM O=C([O-])c1ccc([C@H]2CCN(Cc3ccccc3)CCO2)cc1 ZINC000140328611 400617950 /nfs/dbraw/zinc/61/79/50/400617950.db2.gz PNBXZZHNCMYADP-GOSISDBHSA-N -1 3 311.381 3.348 10 0 DGAEHM O=S(=O)([N-]CCCC1CC1)c1csc(-c2ccccc2)n1 ZINC000605590360 400877582 /nfs/dbraw/zinc/87/75/82/400877582.db2.gz MRZJKOPKIZRHAS-UHFFFAOYSA-N -1 3 322.455 3.279 10 0 DGAEHM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2nccn2c1 ZINC000606751852 400955049 /nfs/dbraw/zinc/95/50/49/400955049.db2.gz FLTLFBZUCPMDDH-UHFFFAOYSA-N -1 3 321.789 3.097 10 0 DGAEHM O=C(N[C@@H]1CC[C@H]2C[C@H]2C1)c1cc([O-])cc(Br)c1 ZINC000627975298 401506969 /nfs/dbraw/zinc/50/69/69/401506969.db2.gz GIGKDWAWGVHYTJ-HOTUBEGUSA-N -1 3 310.191 3.073 10 0 DGAEHM CC(=O)c1cccc(NC(=O)C(C)(C)[C@H]2CCCCO2)c1[O-] ZINC000633073114 401649263 /nfs/dbraw/zinc/64/92/63/401649263.db2.gz SJWMGLMYCWMOCM-CQSZACIVSA-N -1 3 305.374 3.129 10 0 DGAEHM CC(C)c1nn(C)cc1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000361350212 286658996 /nfs/dbraw/zinc/65/89/96/286658996.db2.gz CXXISOJQPJOWGV-UHFFFAOYSA-N -1 3 319.380 3.350 10 0 DGAEHM O=C(c1ccc2n[n-]nc2c1)N1CC=C(c2ccccc2F)CC1 ZINC000185942613 165022034 /nfs/dbraw/zinc/02/20/34/165022034.db2.gz DASAVXKLNYMMSG-UHFFFAOYSA-N -1 3 322.343 3.027 10 0 DGAEHM CC(=O)c1cnc([N-]C(=O)c2c(F)ccc(F)c2F)s1 ZINC000186614218 165052544 /nfs/dbraw/zinc/05/25/44/165052544.db2.gz FDWGVHPJATWHKQ-UHFFFAOYSA-N -1 3 300.261 3.015 10 0 DGAEHM CCc1ccc(C(=O)N2CCC[C@@H](c3nccs3)C2)c([O-])c1 ZINC000191031557 165227495 /nfs/dbraw/zinc/22/74/95/165227495.db2.gz YUGPEILYOYPNBZ-CYBMUJFWSA-N -1 3 316.426 3.431 10 0 DGAEHM Cc1ccc([C@H]2CCCCN2C(=O)/C=C/c2cncc([O-])c2)o1 ZINC000182046239 432157580 /nfs/dbraw/zinc/15/75/80/432157580.db2.gz YPWFNQNVSHRCHX-IQIBNGDESA-N -1 3 312.369 3.456 10 0 DGAEHM CC(C)c1nc(C2(NC(=O)c3cccc([O-])c3)CCCC2)no1 ZINC000182555322 432203346 /nfs/dbraw/zinc/20/33/46/432203346.db2.gz SVJLRTMWMHUXFT-UHFFFAOYSA-N -1 3 315.373 3.098 10 0 DGAEHM Cc1ccc([O-])c(C(=O)NCc2ncc(-c3ccccc3)cn2)c1 ZINC000183897714 228378255 /nfs/dbraw/zinc/37/82/55/228378255.db2.gz BNKCRORRKUBWTP-UHFFFAOYSA-N -1 3 319.364 3.088 10 0 DGAEHM O=C(Nc1cc(Cl)ccc1[O-])[C@H]1CCCN1c1nccs1 ZINC000179458716 228352003 /nfs/dbraw/zinc/35/20/03/228352003.db2.gz YREWXADKEPPDAN-LLVKDONJSA-N -1 3 323.805 3.110 10 0 DGAEHM COc1cc2c(cc1F)ncnc2NCc1ccc([O-])c(F)c1 ZINC000302555809 230297270 /nfs/dbraw/zinc/29/72/70/230297270.db2.gz JQVYGMAXYJHXNO-UHFFFAOYSA-N -1 3 317.295 3.234 10 0 DGAEHM COc1cccc([C@H]2C[C@H]2C(=O)N2CCCc3cccc([O-])c32)c1 ZINC000182915939 263596631 /nfs/dbraw/zinc/59/66/31/263596631.db2.gz RVMWGQFXBCNPRS-IAGOWNOFSA-N -1 3 323.392 3.484 10 0 DGAEHM Cc1ccc([C@H](C)[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)o1 ZINC000172983355 432250482 /nfs/dbraw/zinc/25/04/82/432250482.db2.gz VOOJMPQDTRHSHK-QMMMGPOBSA-N -1 3 319.304 3.045 10 0 DGAEHM Cc1ccc(C(=O)N2C[C@H](c3ccccc3)OC[C@H]2C)c([O-])c1 ZINC000110315327 431186260 /nfs/dbraw/zinc/18/62/60/431186260.db2.gz NALUFAJLCKXSFX-RDTXWAMCSA-N -1 3 311.381 3.303 10 0 DGAEHM O=S(=O)([N-]C[C@H]1C[C@@H]1c1ccccc1)c1ccc(F)c(F)c1 ZINC000111358157 431216642 /nfs/dbraw/zinc/21/66/42/431216642.db2.gz UMMODPOWXRQITL-TZMCWYRMSA-N -1 3 323.364 3.047 10 0 DGAEHM Cc1cc([N-]C(=O)[C@@H](C)N2CC=C(c3cccs3)CC2)on1 ZINC000117896188 431583629 /nfs/dbraw/zinc/58/36/29/431583629.db2.gz VUPRMZKPKOBNJP-GFCCVEGCSA-N -1 3 317.414 3.161 10 0 DGAEHM COc1ccc([O-])c(C(=O)N[C@H](C)c2ccc(OC)c(F)c2)c1 ZINC000078441785 431670374 /nfs/dbraw/zinc/67/03/74/431670374.db2.gz QISOAVMPPGZGLO-SNVBAGLBSA-N -1 3 319.332 3.040 10 0 DGAEHM O=S1(=O)c2ccccc2-n2cccc2C([O-])=C1c1ccccc1 ZINC000029225891 431716923 /nfs/dbraw/zinc/71/69/23/431716923.db2.gz OQEFFTUXAUEWAX-SFHVURJKSA-N -1 3 323.373 3.189 10 0 DGAEHM CCc1onc(C)c1[N-]C(=O)c1sc([C@@H](C)OC)nc1C ZINC000089409623 431865106 /nfs/dbraw/zinc/86/51/06/431865106.db2.gz PIXFJKASKUNXKQ-SECBINFHSA-N -1 3 309.391 3.270 10 0 DGAEHM CC[C@@H](C(=O)[O-])N(C)Cc1cc(Cl)ccc1OC(F)F ZINC000044621479 431876385 /nfs/dbraw/zinc/87/63/85/431876385.db2.gz HYJFSCCQVOFHEB-JTQLQIEISA-N -1 3 307.724 3.236 10 0 DGAEHM CN(CCC1CCOCC1)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000183134370 432261454 /nfs/dbraw/zinc/26/14/54/432261454.db2.gz FTBBOIWBEZKBLX-UHFFFAOYSA-N -1 3 317.429 3.160 10 0 DGAEHM Cc1cccc(-c2noc(C[S@@](=O)c3cccc([O-])c3)n2)c1 ZINC000184063674 432350903 /nfs/dbraw/zinc/35/09/03/432350903.db2.gz MYKCIMDCGTYSFL-JOCHJYFZSA-N -1 3 314.366 3.058 10 0 DGAEHM Cc1cc(=O)[n-]c([C@@H](C)N[C@@H](C)c2cccc(-n3ccnc3)c2)n1 ZINC000192774749 432412453 /nfs/dbraw/zinc/41/24/53/432412453.db2.gz PCTPTMMUTALUSQ-UONOGXRCSA-N -1 3 323.400 3.088 10 0 DGAEHM COc1cccc(C(=O)N[C@H](C)c2cc(F)ccc2OC)c1[O-] ZINC000193506884 432477703 /nfs/dbraw/zinc/47/77/03/432477703.db2.gz JEKDSSNIJOWWOV-SNVBAGLBSA-N -1 3 319.332 3.040 10 0 DGAEHM O=C(c1ccc2c(c1[O-])CCCC2)N1CCO[C@H]2CCCC[C@@H]21 ZINC000185219157 432480231 /nfs/dbraw/zinc/48/02/31/432480231.db2.gz GHIZSNYSZOUJHE-IRXDYDNUSA-N -1 3 315.413 3.055 10 0 DGAEHM Cc1cc(C(=O)NCCCCOCc2ccccc2)ccc1[O-] ZINC000272344959 432485560 /nfs/dbraw/zinc/48/55/60/432485560.db2.gz ACEWEVJRFFQJNJ-UHFFFAOYSA-N -1 3 313.397 3.427 10 0 DGAEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)CCC3CCC3)cc2)n1 ZINC000176190132 432499757 /nfs/dbraw/zinc/49/97/57/432499757.db2.gz DRHWUDJOZFENKF-UHFFFAOYSA-N -1 3 311.385 3.264 10 0 DGAEHM O=C(c1ccc2c(c1[O-])CCCC2)N1CCOc2ccccc21 ZINC000185045387 432460015 /nfs/dbraw/zinc/46/00/15/432460015.db2.gz MCBVFTNKJOITLV-UHFFFAOYSA-N -1 3 309.365 3.310 10 0 DGAEHM Cc1cc(Cl)cc(NC(=O)c2cn3ccnc3s2)c1[O-] ZINC000189034596 432760366 /nfs/dbraw/zinc/76/03/66/432760366.db2.gz JIHNHTCRWBUJOP-UHFFFAOYSA-N -1 3 307.762 3.316 10 0 DGAEHM O=C(c1cc(F)cc2[n-]nnc21)N1CCC[C@@]2(CC=CCC2)C1 ZINC000333019942 433028591 /nfs/dbraw/zinc/02/85/91/433028591.db2.gz ILCJSAQVNSGIBN-KRWDZBQOSA-N -1 3 314.364 3.060 10 0 DGAEHM O=C(c1cc(F)cc2nn[n-]c21)N1CCC[C@@]2(CC=CCC2)C1 ZINC000333019942 433028593 /nfs/dbraw/zinc/02/85/93/433028593.db2.gz ILCJSAQVNSGIBN-KRWDZBQOSA-N -1 3 314.364 3.060 10 0 DGAEHM O=C(c1cc(F)cc2n[n-]nc21)N1CCC[C@@]2(CC=CCC2)C1 ZINC000333019942 433028597 /nfs/dbraw/zinc/02/85/97/433028597.db2.gz ILCJSAQVNSGIBN-KRWDZBQOSA-N -1 3 314.364 3.060 10 0 DGAEHM c1ccc(-c2nc(=NC3CC(N4CCCCC4)C3)s[n-]2)cc1 ZINC000373669058 293303882 /nfs/dbraw/zinc/30/38/82/293303882.db2.gz ASSPSLIGUOZUKF-UHFFFAOYSA-N -1 3 314.458 3.056 10 0 DGAEHM O=C(NCCc1ccccc1C(F)(F)F)c1cccc([O-])c1 ZINC000357367169 433973545 /nfs/dbraw/zinc/97/35/45/433973545.db2.gz PHPKGNXNCGVFLA-UHFFFAOYSA-N -1 3 309.287 3.384 10 0 DGAEHM COc1cccc(C(=O)Nc2cc(C)cc(OC)c2C)c1[O-] ZINC000436719121 434080600 /nfs/dbraw/zinc/08/06/00/434080600.db2.gz NHSCHJLBFXVKMS-UHFFFAOYSA-N -1 3 301.342 3.279 10 0 DGAEHM CCCC[C@H](NC(=O)c1ccc([O-])c(C)c1)C(=O)OC(C)(C)C ZINC000436654800 434054165 /nfs/dbraw/zinc/05/41/65/434054165.db2.gz YKFVBLDYWVXGPW-AWEZNQCLSA-N -1 3 321.417 3.331 10 0 DGAEHM CC(C)(C)c1cccc(OCCNC(=O)c2cccc([O-])c2)c1 ZINC000508958384 294336881 /nfs/dbraw/zinc/33/68/81/294336881.db2.gz JFIASTDWOOSQSX-UHFFFAOYSA-N -1 3 313.397 3.499 10 0 DGAEHM Cc1ccc(C(=O)N2CC[C@@H](C(F)(F)F)[C@H]2C)c([O-])c1C ZINC000436992868 434199259 /nfs/dbraw/zinc/19/92/59/434199259.db2.gz XEMPPMWXPSTOCV-ZYHUDNBSSA-N -1 3 301.308 3.422 10 0 DGAEHM O=C(N[C@H]1C[C@@H]1c1ccc(OC(F)F)cc1)c1cccc([O-])c1 ZINC000358054066 434309290 /nfs/dbraw/zinc/30/92/90/434309290.db2.gz AUBAGJLMMIWWFV-CABCVRRESA-N -1 3 319.307 3.280 10 0 DGAEHM O=C(c1cc([O-])c2ccccc2c1)N1CCC(n2cccn2)CC1 ZINC000366316555 434387170 /nfs/dbraw/zinc/38/71/70/434387170.db2.gz WFEXMJUQYIVWGR-UHFFFAOYSA-N -1 3 321.380 3.219 10 0 DGAEHM O=C([O-])[C@@H]1CCC[C@@H](NCc2ccsc2Br)C1 ZINC000388544452 434334973 /nfs/dbraw/zinc/33/49/73/434334973.db2.gz FFBVNYMANJYBSU-PSASIEDQSA-N -1 3 318.236 3.244 10 0 DGAEHM C[C@@H](NCc1cc(Cl)ccc1Br)[C@@H](C)C(=O)[O-] ZINC000417607284 434461829 /nfs/dbraw/zinc/46/18/29/434461829.db2.gz GVVFBRIPRZEXBQ-HTQZYQBOSA-N -1 3 320.614 3.301 10 0 DGAEHM CC(C)c1ccc(C(=O)N2CC[C@@H](C(C)(C)C)[C@H](O)C2)c([O-])c1 ZINC000408415039 434573294 /nfs/dbraw/zinc/57/32/94/434573294.db2.gz MZZOVJQVJDODBE-NVXWUHKLSA-N -1 3 319.445 3.385 10 0 DGAEHM CC(C)c1ccc(C(=O)N2CC[C@H](C(C)(C)C)[C@@H](O)C2)c([O-])c1 ZINC000408415040 434574060 /nfs/dbraw/zinc/57/40/60/434574060.db2.gz MZZOVJQVJDODBE-RDJZCZTQSA-N -1 3 319.445 3.385 10 0 DGAEHM COCCC1(C)CN(Cc2cccc([O-])c2Br)C1 ZINC000459636824 434641278 /nfs/dbraw/zinc/64/12/78/434641278.db2.gz RFJQBXWDXZQCCK-UHFFFAOYSA-N -1 3 314.223 3.013 10 0 DGAEHM CC(=O)c1ccc(C(=O)N[C@H]2c3ccccc3C[C@@H]2C)cc1[O-] ZINC000412105228 434865579 /nfs/dbraw/zinc/86/55/79/434865579.db2.gz CNMAYAJLUCDLCQ-BBATYDOGSA-N -1 3 309.365 3.258 10 0 DGAEHM Cc1c([O-])c(I)ccc1Br ZINC000575693387 435045368 /nfs/dbraw/zinc/04/53/68/435045368.db2.gz SHNPZPXHOVSUGR-UHFFFAOYSA-N -1 3 312.932 3.068 10 0 DGAEHM C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)NCc1ccc([O-])c(F)c1 ZINC000471894081 300667309 /nfs/dbraw/zinc/66/73/09/300667309.db2.gz WPMUUOGIVITRLE-WPRPVWTQSA-N -1 3 320.286 3.014 10 0 DGAEHM C[C@@H]1CC[C@@H](C)N(C(=O)c2cc([O-])cc(Br)c2)C1 ZINC000528709480 313063850 /nfs/dbraw/zinc/06/38/50/313063850.db2.gz XLRXKCVSXVAKJY-NXEZZACHSA-N -1 3 312.207 3.415 10 0 DGAEHM COc1ccc(-c2noc(-c3ccc4c(c3[O-])CCCC4)n2)cn1 ZINC000184856576 323375837 /nfs/dbraw/zinc/37/58/37/323375837.db2.gz JECWIGCORKUAID-UHFFFAOYSA-N -1 3 323.352 3.392 10 0 DGAEHM CCCOc1nc(C)ccc1C(=O)Nc1cccc([O-])c1F ZINC000189856632 323438302 /nfs/dbraw/zinc/43/83/02/323438302.db2.gz HLHGMRXOXGHLLN-UHFFFAOYSA-N -1 3 304.321 3.276 10 0 DGAEHM O=C(NCCc1ccsc1)c1cc([O-])ccc1C(F)(F)F ZINC000192628783 323456304 /nfs/dbraw/zinc/45/63/04/323456304.db2.gz HPGJARBNELWDPQ-UHFFFAOYSA-N -1 3 315.316 3.445 10 0 DGAEHM c1coc(-c2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)n1 ZINC000584625126 337375322 /nfs/dbraw/zinc/37/53/22/337375322.db2.gz FNEZIANYFVWLQC-UHFFFAOYSA-N -1 3 305.297 3.314 10 0 DGAEHM c1coc(-c2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)n1 ZINC000584625126 337375323 /nfs/dbraw/zinc/37/53/23/337375323.db2.gz FNEZIANYFVWLQC-UHFFFAOYSA-N -1 3 305.297 3.314 10 0 DGAEHM CSC[C@@H]1CCCN1C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000183309575 533747821 /nfs/dbraw/zinc/74/78/21/533747821.db2.gz KPJNDGJQFMZFSH-ZDUSSCGKSA-N -1 3 305.443 3.239 10 0 DGAEHM CC1(C)CC[C@@H](CNCc2cccc([O-])c2Br)O1 ZINC000459491395 535321486 /nfs/dbraw/zinc/32/14/86/535321486.db2.gz LXMHWPQSEJOZMN-NSHDSACASA-N -1 3 314.223 3.202 10 0 DGAEHM NC(=O)Nc1cccc(NC(=O)c2cc([O-])c3ccccc3c2)c1 ZINC000471646623 546901672 /nfs/dbraw/zinc/90/16/72/546901672.db2.gz MQKMPYLSTICDJP-UHFFFAOYSA-N -1 3 321.336 3.288 10 0 DGAEHM CN(CCNC(=O)c1cc([O-])c2ccccc2c1)c1ccccc1 ZINC000471639287 546901802 /nfs/dbraw/zinc/90/18/02/546901802.db2.gz NXBPZYAFEUALPK-UHFFFAOYSA-N -1 3 320.392 3.412 10 0 DGAEHM Cc1ccccc1[C@H](CO)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000527461599 546970411 /nfs/dbraw/zinc/97/04/11/546970411.db2.gz WGGUORTZVXMSGJ-SFHVURJKSA-N -1 3 321.376 3.317 10 0 DGAEHM [O-]c1ccc(Br)c(CN[C@H]2CCCC2(F)F)c1 ZINC000398029830 575960011 /nfs/dbraw/zinc/96/00/11/575960011.db2.gz NAWGVSDYJGMUBB-NSHDSACASA-N -1 3 306.150 3.432 10 0 DGAEHM O=C([N-]c1nc2c(s1)C(=O)CCC2)c1scnc1Cl ZINC000727713877 576141737 /nfs/dbraw/zinc/14/17/37/576141737.db2.gz LHCYOVPSEJCVSX-UHFFFAOYSA-N -1 3 313.791 3.024 10 0 DGAEHM O=C(c1cc([O-])ccc1Cl)N1CC[C@H](c2nccs2)C1 ZINC000710495480 660932633 /nfs/dbraw/zinc/93/26/33/660932633.db2.gz YVFSFGRRZIAVSM-VIFPVBQESA-N -1 3 308.790 3.132 10 0 DGAEHM Cc1nn(C)cc1NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000177418772 656076318 /nfs/dbraw/zinc/07/63/18/656076318.db2.gz XAJJTOVNYSENGI-UHFFFAOYSA-N -1 3 323.352 3.479 10 0 DGAEHM C[C@H]1C[C@@H](C(=O)[O-])CN(Cc2ncc(-c3cccc(F)c3)o2)C1 ZINC000263358388 658207499 /nfs/dbraw/zinc/20/74/99/658207499.db2.gz RKWDQVMNYFUQKU-WCQYABFASA-N -1 3 318.348 3.023 10 0 DGAEHM O=S(=O)([N-]CC1CCCCCC1)c1cnc(Cl)c(F)c1 ZINC000389551358 1176251477 /nfs/dbraw/zinc/25/14/77/1176251477.db2.gz RCIBEQAQQZBLAC-UHFFFAOYSA-N -1 3 320.817 3.123 10 0 DGAEHM C[C@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000230670575 1202598636 /nfs/dbraw/zinc/59/86/36/1202598636.db2.gz MJOSIBDUHZGXQT-DTWKUNHWSA-N -1 3 323.245 3.103 10 0 DGAEHM CC(=Cc1ccc(F)cc1)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000255137526 1203837626 /nfs/dbraw/zinc/83/76/26/1203837626.db2.gz RMQSVDMUAKNIEA-SREVYHEPSA-N -1 3 314.242 3.005 10 0 DGAEHM CC(=Cc1ccc(F)cc1)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000255137526 1203837628 /nfs/dbraw/zinc/83/76/28/1203837628.db2.gz RMQSVDMUAKNIEA-SREVYHEPSA-N -1 3 314.242 3.005 10 0 DGAEHM Cc1cc(C(=O)Nc2cncc(Br)c2)ccc1[O-] ZINC000305504834 231010872 /nfs/dbraw/zinc/01/08/72/231010872.db2.gz SEMYODYJICWACD-UHFFFAOYSA-N -1 3 307.147 3.110 10 0 DGAEHM O=c1c([O-])c(-c2ccc(Br)cc2)nc2[nH]cccc1-2 ZINC000090549371 185302422 /nfs/dbraw/zinc/30/24/22/185302422.db2.gz VZJYQWFMKZYXBX-UHFFFAOYSA-N -1 3 317.142 3.058 10 0 DGAEHM COc1cccc(C(=O)N2CC[C@@H](c3ccccc3)[C@H]2C)c1[O-] ZINC000175699003 186189298 /nfs/dbraw/zinc/18/92/98/186189298.db2.gz RQMJPJOVAFXAQC-UKRRQHHQSA-N -1 3 311.381 3.419 10 0 DGAEHM CCc1noc(C)c1[N-]C(=O)c1cnc(-c2ccncc2)s1 ZINC000179330218 432053675 /nfs/dbraw/zinc/05/36/75/432053675.db2.gz VDKBCTAQUCZEPP-UHFFFAOYSA-N -1 3 314.370 3.316 10 0 DGAEHM COc1cc(Br)cc(NCc2nc(C)ccc2[O-])c1 ZINC000169020258 432071105 /nfs/dbraw/zinc/07/11/05/432071105.db2.gz UPAVVGWJSMSXLL-UHFFFAOYSA-N -1 3 323.190 3.479 10 0 DGAEHM CCc1ccc(C(=O)N(CC)CCc2nccs2)c([O-])c1 ZINC000188542073 200264309 /nfs/dbraw/zinc/26/43/09/200264309.db2.gz ADZVEANLRGJRQZ-UHFFFAOYSA-N -1 3 304.415 3.116 10 0 DGAEHM COc1cccc(C(=O)Nc2cc(-n3cccn3)ccc2C)c1[O-] ZINC000189826216 432093782 /nfs/dbraw/zinc/09/37/82/432093782.db2.gz NFYDAHBLABKBGT-UHFFFAOYSA-N -1 3 323.352 3.147 10 0 DGAEHM CCCCc1nnc([N-]C(=O)c2sccc2COC)s1 ZINC000180857243 432103282 /nfs/dbraw/zinc/10/32/82/432103282.db2.gz GZKVMDHJOIEWJU-UHFFFAOYSA-N -1 3 311.432 3.341 10 0 DGAEHM COCc1ccsc1C(=O)[N-]c1nnc(C(C)(C)C)s1 ZINC000180859791 432104345 /nfs/dbraw/zinc/10/43/45/432104345.db2.gz BHSQBERVCAVOAO-UHFFFAOYSA-N -1 3 311.432 3.296 10 0 DGAEHM COc1cccc(C(=O)N(C)[C@H](C)c2ccccc2F)c1[O-] ZINC000078261239 283860406 /nfs/dbraw/zinc/86/04/06/283860406.db2.gz HAQHOBNBVHLSCC-LLVKDONJSA-N -1 3 303.333 3.373 10 0 DGAEHM Cc1cccc(NCc2nc(C(F)(F)F)cc(=O)[n-]2)c1Cl ZINC000092216087 284005200 /nfs/dbraw/zinc/00/52/00/284005200.db2.gz RGCSQUSBPAQUMW-UHFFFAOYSA-N -1 3 317.698 3.363 10 0 DGAEHM CCc1ccc(NC(=O)c2cc(OC)c([O-])c(OC)c2)cc1F ZINC000120608469 284173407 /nfs/dbraw/zinc/17/34/07/284173407.db2.gz LTDZJMBVUCCIBN-UHFFFAOYSA-N -1 3 319.332 3.363 10 0 DGAEHM O=S(=O)([N-]c1cccc(O)c1F)c1cccc2ccccc21 ZINC000127896528 284356867 /nfs/dbraw/zinc/35/68/67/284356867.db2.gz XMODVMCMGWCMBH-UHFFFAOYSA-N -1 3 317.341 3.485 10 0 DGAEHM O=C([O-])c1ccc2nc3c(c(NC[C@H]4CCCO4)c2c1)CCC3 ZINC000019794264 182149969 /nfs/dbraw/zinc/14/99/69/182149969.db2.gz MIQSPVUZBIWGJV-GFCCVEGCSA-N -1 3 312.369 3.013 10 0 DGAEHM CCCn1[nH]cc2nc(-c3ccc(OC)c([O-])c3Cl)nc1-2 ZINC000019836907 182155102 /nfs/dbraw/zinc/15/51/02/182155102.db2.gz PJVPFPMWPGOJRD-UHFFFAOYSA-N -1 3 306.753 3.204 10 0 DGAEHM Cc1ccc([C@@H]2CCCCN2C(=O)/C=C\c2cncc([O-])c2)o1 ZINC000493060966 245872942 /nfs/dbraw/zinc/87/29/42/245872942.db2.gz YPWFNQNVSHRCHX-IOBAAEILSA-N -1 3 312.369 3.456 10 0 DGAEHM Cn1ccnc1-c1noc([N-]Cc2ccc(-c3ccccc3)o2)n1 ZINC000181528445 432134705 /nfs/dbraw/zinc/13/47/05/432134705.db2.gz ZCPTYWSYLUEZPX-UHFFFAOYSA-N -1 3 321.340 3.342 10 0 DGAEHM COc1ccc(Nc2ncnc([N-]c3nccs3)c2N)cc1 ZINC000040780805 183133125 /nfs/dbraw/zinc/13/31/25/183133125.db2.gz BSHFRUWUGLRGIT-UHFFFAOYSA-N -1 3 314.374 3.011 10 0 DGAEHM Nc1c([N-]c2nccs2)ncnc1Nc1ccccc1F ZINC000040759144 183130766 /nfs/dbraw/zinc/13/07/66/183130766.db2.gz PDNBGLNIDYMPRC-UHFFFAOYSA-N -1 3 302.338 3.142 10 0 DGAEHM CCOC(=O)[C@]([O-])(c1cc(Cl)cc(Cl)c1)C(F)(F)F ZINC000043463494 183364866 /nfs/dbraw/zinc/36/48/66/183364866.db2.gz GSYDVGKUKVELSF-SNVBAGLBSA-N -1 3 317.090 3.306 10 0 DGAEHM Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1ccc(C)cc1[O-] ZINC000105882200 194155170 /nfs/dbraw/zinc/15/51/70/194155170.db2.gz MMGFVHHKKMXAST-HNNXBMFYSA-N -1 3 313.401 3.028 10 0 DGAEHM O=C(NC[C@@H]1C[C@H]1c1ccccc1)c1c[n-]c2ccccc2c1=O ZINC000111047829 194387760 /nfs/dbraw/zinc/38/77/60/194387760.db2.gz HOHHDCSCFXXDJW-HOCLYGCPSA-N -1 3 318.376 3.062 10 0 DGAEHM O=c1[n-]c(Nc2ccccc2Br)nc2c1CCCC2 ZINC000057343088 184034117 /nfs/dbraw/zinc/03/41/17/184034117.db2.gz ZVPXSRWDMMBYQU-UHFFFAOYSA-N -1 3 320.190 3.155 10 0 DGAEHM COc1cccc(-c2cc(=O)[n-]c(Nc3cccc(F)c3)n2)c1 ZINC000057341609 184034132 /nfs/dbraw/zinc/03/41/32/184034132.db2.gz HORBMHKZMNFUTC-UHFFFAOYSA-N -1 3 311.316 3.328 10 0 DGAEHM CC(=O)c1cc(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])n(C)c1 ZINC000337675561 253157837 /nfs/dbraw/zinc/15/78/37/253157837.db2.gz ZYZCNHSGQKKRGM-UHFFFAOYSA-N -1 3 314.385 3.483 10 0 DGAEHM O=C(/C=C\c1cncc([O-])c1)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000255772769 285179782 /nfs/dbraw/zinc/17/97/82/285179782.db2.gz NAPPIDQKOCUEKI-XTNYPIGLSA-N -1 3 314.772 3.258 10 0 DGAEHM COc1cccc(C(=O)NC[C@@H](C)Cc2cccs2)c1[O-] ZINC000156161959 533407430 /nfs/dbraw/zinc/40/74/30/533407430.db2.gz LWOOOEFFSBJINQ-NSHDSACASA-N -1 3 305.399 3.071 10 0 DGAEHM COc1cccc(C(=O)N[C@H](C)c2cccc(F)c2F)c1[O-] ZINC000155835922 533416944 /nfs/dbraw/zinc/41/69/44/533416944.db2.gz YWVNADYTHUJUBD-SECBINFHSA-N -1 3 307.296 3.170 10 0 DGAEHM CCO[C@H]1C[C@H](N(C)C(=O)c2cccc([O-])c2)C1(CC)CC ZINC000357306594 285708621 /nfs/dbraw/zinc/70/86/21/285708621.db2.gz KWNBLUGDSMOIHU-HOTGVXAUSA-N -1 3 305.418 3.448 10 0 DGAEHM O=C([O-])c1cccc([C@H]2CN(Cc3ccccc3)CCCO2)c1 ZINC000616651512 400193053 /nfs/dbraw/zinc/19/30/53/400193053.db2.gz OUGZUYMMXWQJPM-GOSISDBHSA-N -1 3 311.381 3.348 10 0 DGAEHM [O-]c1ccc(-c2noc(-c3ccc(Br)o3)n2)cc1 ZINC000034956121 400386695 /nfs/dbraw/zinc/38/66/95/400386695.db2.gz LPCNQFFAOAHDQV-UHFFFAOYSA-N -1 3 307.103 3.465 10 0 DGAEHM COC(=O)c1cc(NC(=O)c2cccc([O-])c2)ccc1Cl ZINC000611564129 400422804 /nfs/dbraw/zinc/42/28/04/400422804.db2.gz MQULSRGLXQKSPX-UHFFFAOYSA-N -1 3 305.717 3.085 10 0 DGAEHM S=c1[n-]c([C@@H]2CSCCS2)ncc1Br ZINC000236572176 400978329 /nfs/dbraw/zinc/97/83/29/400978329.db2.gz QWMBOPCOWAMJRG-LURJTMIESA-N -1 3 309.279 3.049 10 0 DGAEHM O=C(NC[C@@H]1CCC[C@H]2C[C@H]21)c1cc([O-])cc(Br)c1 ZINC000628086956 401522479 /nfs/dbraw/zinc/52/24/79/401522479.db2.gz HATSGBPJMGTYPE-PKFCDNJMSA-N -1 3 324.218 3.321 10 0 DGAEHM O=C([N-]c1cccc(F)c1F)c1ncsc1Br ZINC000358535507 286086371 /nfs/dbraw/zinc/08/63/71/286086371.db2.gz OUERKILPVYXKTL-UHFFFAOYSA-N -1 3 319.130 3.436 10 0 DGAEHM O=C(c1cc([O-])c2ccccc2c1)N1CCOC[C@@H]1c1ccco1 ZINC000365097918 287096635 /nfs/dbraw/zinc/09/66/35/287096635.db2.gz GTRIJQSJMVMYKX-MRXNPFEDSA-N -1 3 323.348 3.352 10 0 DGAEHM Cc1cc(=O)[n-]c([C@H](C)N2CC=C(c3cccs3)CC2)n1 ZINC000192595639 165298239 /nfs/dbraw/zinc/29/82/39/165298239.db2.gz XNQXDSUDELUDGM-LBPRGKRZSA-N -1 3 301.415 3.402 10 0 DGAEHM Cc1cccc(C(=O)N2CCc3[nH]c4ccccc4c3C2)c1[O-] ZINC000192825619 165308018 /nfs/dbraw/zinc/30/80/18/165308018.db2.gz MLSOKDRFFVKVEF-UHFFFAOYSA-N -1 3 306.365 3.380 10 0 DGAEHM C[C@@H](O)C[C@H]1CCCCN1C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000279762023 287105777 /nfs/dbraw/zinc/10/57/77/287105777.db2.gz MAPMDOSZBXDSSR-UKRRQHHQSA-N -1 3 317.429 3.037 10 0 DGAEHM O=C(C[C@H]1CCOc2ccccc21)Nc1cccc([O-])c1F ZINC000129572409 196058582 /nfs/dbraw/zinc/05/85/82/196058582.db2.gz ZAFOLOZGLNZXCQ-LLVKDONJSA-N -1 3 301.317 3.426 10 0 DGAEHM O=C(C[C@@H]1CCOc2ccccc21)Nc1cccc([O-])c1F ZINC000129572203 196059082 /nfs/dbraw/zinc/05/90/82/196059082.db2.gz ZAFOLOZGLNZXCQ-NSHDSACASA-N -1 3 301.317 3.426 10 0 DGAEHM O=C(N[C@@H](c1ccccc1)c1ccncc1)c1cccc([O-])c1 ZINC000182332100 432181237 /nfs/dbraw/zinc/18/12/37/432181237.db2.gz IQXHZDGJXBBBLS-SFHVURJKSA-N -1 3 304.349 3.307 10 0 DGAEHM CCO[C@H]1C[C@H](N(C)C(=O)c2cccc([O-])c2)C12CCCC2 ZINC000182494393 432195217 /nfs/dbraw/zinc/19/52/17/432195217.db2.gz LQGNMUXOXCZIHR-HOTGVXAUSA-N -1 3 303.402 3.202 10 0 DGAEHM O=C(c1cccc([O-])c1)N1CCC(Nc2ccccc2F)CC1 ZINC000182508589 432197326 /nfs/dbraw/zinc/19/73/26/432197326.db2.gz YCRJMNSLWWHOEK-UHFFFAOYSA-N -1 3 314.360 3.248 10 0 DGAEHM CC(C)(C)C1CCN(C(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000172625914 432226103 /nfs/dbraw/zinc/22/61/03/432226103.db2.gz UYJQDOPRJOXVDF-UHFFFAOYSA-N -1 3 308.397 3.499 10 0 DGAEHM O=C(C/C=C/c1cccc(F)c1)NCc1ccc([O-])c(F)c1 ZINC000176875289 228321219 /nfs/dbraw/zinc/32/12/19/228321219.db2.gz ZVQHNJMZTWYZLX-DUXPYHPUSA-N -1 3 303.308 3.390 10 0 DGAEHM O=C(c1ccc2c(c1[O-])CCCC2)N1CCO[C@H]2CCCC[C@H]21 ZINC000185219193 228389832 /nfs/dbraw/zinc/38/98/32/228389832.db2.gz GHIZSNYSZOUJHE-SJORKVTESA-N -1 3 315.413 3.055 10 0 DGAEHM COCc1ccsc1C(=O)N1CCCc2cccc([O-])c21 ZINC000182902013 432239924 /nfs/dbraw/zinc/23/99/24/432239924.db2.gz SVKYNZNRHPRVSA-UHFFFAOYSA-N -1 3 303.383 3.193 10 0 DGAEHM CO[C@@H](c1ccc(F)cc1)[C@H](C)NC(=O)c1cccc([O-])c1 ZINC000357506582 270987129 /nfs/dbraw/zinc/98/71/29/270987129.db2.gz ZBBZNAZTRVBGED-MEDUHNTESA-N -1 3 303.333 3.037 10 0 DGAEHM CC(C)c1ccc(NC(=O)C[S@@](=O)c2ccc([O-])cc2)cc1 ZINC000108086423 431119272 /nfs/dbraw/zinc/11/92/72/431119272.db2.gz UJTDKLYROBMLNV-QFIPXVFZSA-N -1 3 317.410 3.262 10 0 DGAEHM O=C(NCCCc1cccc(F)c1)c1c[n-]c2ccccc2c1=O ZINC000068497802 431131436 /nfs/dbraw/zinc/13/14/36/431131436.db2.gz JWYDDBZYNATENZ-UHFFFAOYSA-N -1 3 324.355 3.030 10 0 DGAEHM CCCCN(C)Cc1c(C)[nH]c2c(C(=O)[O-])cccc2c1=O ZINC000008713872 431406752 /nfs/dbraw/zinc/40/67/52/431406752.db2.gz SOVDZYPGRKSIBM-UHFFFAOYSA-N -1 3 302.374 3.179 10 0 DGAEHM CC(C)c1cc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)n[nH]1 ZINC000078441311 431669506 /nfs/dbraw/zinc/66/95/06/431669506.db2.gz IRRCHPKKPQGBAK-UHFFFAOYSA-N -1 3 315.373 3.205 10 0 DGAEHM CC[C@H](Oc1ccccc1)c1nc2c(n[nH]c2C(C)C)c(=O)[n-]1 ZINC000089212180 431860954 /nfs/dbraw/zinc/86/09/54/431860954.db2.gz ZXPXSKVQQXEKBO-LBPRGKRZSA-N -1 3 312.373 3.300 10 0 DGAEHM C[C@H]1C[C@@H](N(C)C(=O)c2ccc3ccccc3c2[O-])CCN1C ZINC000124747940 431903217 /nfs/dbraw/zinc/90/32/17/431903217.db2.gz RAWDXUJWJCSLOY-ZFWWWQNUSA-N -1 3 312.413 3.100 10 0 DGAEHM O=C(N[C@@H]1CCc2cc(Cl)ccc21)c1ccc2n[n-]nc2c1 ZINC000055734481 431985134 /nfs/dbraw/zinc/98/51/34/431985134.db2.gz ZXMCZRJIZVNXOP-CYBMUJFWSA-N -1 3 312.760 3.029 10 0 DGAEHM C[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@@H](c2ccc(F)cc2)O1 ZINC000173524880 432284769 /nfs/dbraw/zinc/28/47/69/432284769.db2.gz IVDFHVWDAWSGJV-PXAZEXFGSA-N -1 3 315.344 3.134 10 0 DGAEHM CCc1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)cc1F ZINC000152464250 432334346 /nfs/dbraw/zinc/33/43/46/432334346.db2.gz ITCOSGNELDRRKT-UHFFFAOYSA-N -1 3 310.328 3.482 10 0 DGAEHM CCc1ccc(NC(=O)c2cnc3ccccc3c2[O-])cc1F ZINC000152464250 432334348 /nfs/dbraw/zinc/33/43/48/432334348.db2.gz ITCOSGNELDRRKT-UHFFFAOYSA-N -1 3 310.328 3.482 10 0 DGAEHM C[C@@H]1CCN(C(=O)c2ccc3n[n-]nc3c2)[C@H]1c1cccc(F)c1 ZINC000174434826 432347725 /nfs/dbraw/zinc/34/77/25/432347725.db2.gz DSKCXXQYEUIADE-PIGZYNQJSA-N -1 3 324.359 3.320 10 0 DGAEHM Cc1ccccc1-c1nc(C[S@](=O)c2cccc([O-])c2)no1 ZINC000184067131 432352276 /nfs/dbraw/zinc/35/22/76/432352276.db2.gz LTXDPPFODZJPFS-QFIPXVFZSA-N -1 3 314.366 3.058 10 0 DGAEHM COc1cccc(C(=O)N[C@@H](C)c2cc(F)ccc2OC)c1[O-] ZINC000193506871 432478085 /nfs/dbraw/zinc/47/80/85/432478085.db2.gz JEKDSSNIJOWWOV-JTQLQIEISA-N -1 3 319.332 3.040 10 0 DGAEHM CCC[C@@H](C)NC(=O)[C@H]1CCCN(Cc2cc([O-])cc(F)c2)C1 ZINC000186203327 432568447 /nfs/dbraw/zinc/56/84/47/432568447.db2.gz LXROXGNAIMWZBS-HIFRSBDPSA-N -1 3 322.424 3.048 10 0 DGAEHM COc1ccc([O-])cc1C(=O)Nc1ccc2c(c1)C(=O)CCC2 ZINC000188160486 432709045 /nfs/dbraw/zinc/70/90/45/432709045.db2.gz GWDVAHFIPUIRKR-UHFFFAOYSA-N -1 3 311.337 3.172 10 0 DGAEHM CC(C)[C@H]1CC[C@H](C(=O)Nc2cc(-c3nccn3C)[n-]n2)CC1 ZINC000245525013 432840160 /nfs/dbraw/zinc/84/01/60/432840160.db2.gz DVYQLKCLCVSLKP-JOCQHMNTSA-N -1 3 315.421 3.211 10 0 DGAEHM CC(C)[C@H]1CC[C@H](C(=O)Nc2cc(-c3nccn3C)n[n-]2)CC1 ZINC000245525013 432840162 /nfs/dbraw/zinc/84/01/62/432840162.db2.gz DVYQLKCLCVSLKP-JOCQHMNTSA-N -1 3 315.421 3.211 10 0 DGAEHM O=C(c1cc([O-])c2ccccc2c1)N1CCC[C@H]1c1ncc[nH]1 ZINC000376137035 433675421 /nfs/dbraw/zinc/67/54/21/433675421.db2.gz XLJJKHCHLRKDLD-HNNXBMFYSA-N -1 3 307.353 3.246 10 0 DGAEHM CC(=O)c1csc([N-]C(=O)c2csc(C(F)(F)F)n2)n1 ZINC000351732674 433693017 /nfs/dbraw/zinc/69/30/17/433693017.db2.gz DPKXMZZWDKGQTJ-UHFFFAOYSA-N -1 3 321.305 3.073 10 0 DGAEHM CC(C)c1cc(C(=O)N2C[C@H](F)C[C@H]2CO)c([O-])c(C(C)C)c1 ZINC000366685177 292977102 /nfs/dbraw/zinc/97/71/02/292977102.db2.gz LMLKWSIXKMBIOZ-KGLIPLIRSA-N -1 3 323.408 3.184 10 0 DGAEHM O=C(N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1cccc([O-])c1 ZINC000357349464 433963477 /nfs/dbraw/zinc/96/34/77/433963477.db2.gz SHGMTTCYQRTQRR-DLBZAZTESA-N -1 3 315.344 3.181 10 0 DGAEHM Cc1ccc(C(=O)N(C)[C@H](C)Cc2ccc(O)cc2)c([O-])c1C ZINC000436593738 434026155 /nfs/dbraw/zinc/02/61/55/434026155.db2.gz DLEFZKZZELTSFF-CYBMUJFWSA-N -1 3 313.397 3.418 10 0 DGAEHM O=C([O-])[C@@H]1CCC[C@H](NCc2ccsc2Br)C1 ZINC000388544453 434337423 /nfs/dbraw/zinc/33/74/23/434337423.db2.gz FFBVNYMANJYBSU-SCZZXKLOSA-N -1 3 318.236 3.244 10 0 DGAEHM CCOC(=O)c1csc(=NC[C@H](CC)CC(F)(F)F)[n-]1 ZINC000402615599 434502743 /nfs/dbraw/zinc/50/27/43/434502743.db2.gz SPHKBTTVKBIUGM-MRVPVSSYSA-N -1 3 310.341 3.132 10 0 DGAEHM CC(=O)c1ccc([N-]S(=O)(=O)CCCCF)cc1Cl ZINC000451033665 434540340 /nfs/dbraw/zinc/54/03/40/434540340.db2.gz YKNULFISCORTQB-UHFFFAOYSA-N -1 3 307.774 3.034 10 0 DGAEHM CCc1cccc(C(=O)N2CC[C@H](C(F)(F)F)[C@H]2C)c1[O-] ZINC000527473839 295097996 /nfs/dbraw/zinc/09/79/96/295097996.db2.gz KBLBSZRIVDHFBH-SKDRFNHKSA-N -1 3 301.308 3.368 10 0 DGAEHM O=C(c1ccc2c(c1[O-])CCCC2)N1CCc2ccc(O)cc2C1 ZINC000408414582 434570838 /nfs/dbraw/zinc/57/08/38/434570838.db2.gz LEIHUMHMZUNTIN-UHFFFAOYSA-N -1 3 323.392 3.175 10 0 DGAEHM CC(=O)c1ccc(C(=O)N2CC[C@@]3(CC[C@H](C)C3)C2)cc1[O-] ZINC000408466252 434578036 /nfs/dbraw/zinc/57/80/36/434578036.db2.gz KZZFSSWBNTWTJL-KPZWWZAWSA-N -1 3 301.386 3.247 10 0 DGAEHM c1ccc([C@H](CN=c2[n-]c(C3CCC3)no2)N2CCCC2)cc1 ZINC000574397267 434975210 /nfs/dbraw/zinc/97/52/10/434975210.db2.gz INYWBBGUDWNNTL-INIZCTEOSA-N -1 3 312.417 3.008 10 0 DGAEHM CC(=O)c1c([O-])cc(C(F)F)cc1I ZINC000575669743 435042270 /nfs/dbraw/zinc/04/22/70/435042270.db2.gz MJBRGPBGQIUGDD-UHFFFAOYSA-N -1 3 312.053 3.137 10 0 DGAEHM CCOC(=O)c1cc([O-])cc(Br)c1C(F)(F)F ZINC000575699597 435046191 /nfs/dbraw/zinc/04/61/91/435046191.db2.gz JUDUTXCVQNRIAY-UHFFFAOYSA-N -1 3 313.069 3.350 10 0 DGAEHM [O-]c1c(F)c(I)ccc1OC(F)(F)F ZINC000575707143 435049530 /nfs/dbraw/zinc/04/95/30/435049530.db2.gz MFHBMWCTSRVAPH-UHFFFAOYSA-N -1 3 321.995 3.035 10 0 DGAEHM CC(=O)c1cccc(NC(=O)Cc2cnc3ccccc3c2)c1[O-] ZINC000570545442 435630132 /nfs/dbraw/zinc/63/01/32/435630132.db2.gz SLEFOOYSWXEXPC-UHFFFAOYSA-N -1 3 320.348 3.324 10 0 DGAEHM CO[C@H](C)c1nc(C)c(C(=O)Nc2cc(F)ccc2[O-])s1 ZINC000175424153 312769630 /nfs/dbraw/zinc/76/96/30/312769630.db2.gz NIQQSSWQAFVPJA-MRVPVSSYSA-N -1 3 310.350 3.256 10 0 DGAEHM O=C(N[C@@H]1CC12CCCC2)c1cc([O-])cc(Br)c1 ZINC000529168798 313151611 /nfs/dbraw/zinc/15/16/11/313151611.db2.gz TYGLMXSHXWMSPE-GFCCVEGCSA-N -1 3 310.191 3.217 10 0 DGAEHM C[C@H](NCc1cccc([O-])c1Br)c1cscn1 ZINC000563444464 315116375 /nfs/dbraw/zinc/11/63/75/315116375.db2.gz NLXZNQUPHQCGMW-QMMMGPOBSA-N -1 3 313.220 3.462 10 0 DGAEHM CSCCc1c(C)c(C)cc(-c2c[nH][n-]c(=O)c2=O)c1C ZINC000584630514 337376707 /nfs/dbraw/zinc/37/67/07/337376707.db2.gz KZHPVSWODBXKFN-UHFFFAOYSA-N -1 3 304.415 3.386 10 0 DGAEHM CSCCc1c(C)c(C)cc(-c2c[n-][nH]c(=O)c2=O)c1C ZINC000584630514 337376708 /nfs/dbraw/zinc/37/67/08/337376708.db2.gz KZHPVSWODBXKFN-UHFFFAOYSA-N -1 3 304.415 3.386 10 0 DGAEHM Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)c1cc(C)ccc1[O-] ZINC000156198435 527587853 /nfs/dbraw/zinc/58/78/53/527587853.db2.gz WZJNGIXLUKPAOR-LBPRGKRZSA-N -1 3 315.417 3.452 10 0 DGAEHM CCc1ccc([O-])c(C(=O)N2CC[C@@H](C(F)(F)F)[C@H]2C)c1 ZINC000473385551 536190848 /nfs/dbraw/zinc/19/08/48/536190848.db2.gz FPFHRDDNGSAIOI-BXKDBHETSA-N -1 3 301.308 3.368 10 0 DGAEHM O=C(NCCOc1ccccc1)c1cc([O-])c2ccccc2c1 ZINC000471556366 546901413 /nfs/dbraw/zinc/90/14/13/546901413.db2.gz BPHIPMYSIXSILM-UHFFFAOYSA-N -1 3 307.349 3.354 10 0 DGAEHM O=C(N[C@@H](CO)C1CCCCC1)c1cc([O-])c2ccccc2c1 ZINC000526921351 546968237 /nfs/dbraw/zinc/96/82/37/546968237.db2.gz CJQIMEHBXZNUTP-KRWDZBQOSA-N -1 3 313.397 3.216 10 0 DGAEHM C[N-]S(=O)(=O)c1occc1-c1cc(Cl)ccc1Cl ZINC000675055269 548148928 /nfs/dbraw/zinc/14/89/28/548148928.db2.gz YQESGYDEVNBZPA-UHFFFAOYSA-N -1 3 306.170 3.162 10 0 DGAEHM CC(C)c1cnc(CSc2n[n-]c(-c3ccccn3)n2)o1 ZINC000735234592 574693462 /nfs/dbraw/zinc/69/34/62/574693462.db2.gz MRCXBUCQFLHLOR-UHFFFAOYSA-N -1 3 301.375 3.270 10 0 DGAEHM COC[C@H]([N-]C(=O)C(F)(F)c1ccc(F)cc1)c1ccccc1 ZINC000727098138 576106687 /nfs/dbraw/zinc/10/66/87/576106687.db2.gz NRGTZFHMWUHSFC-HNNXBMFYSA-N -1 3 323.314 3.421 10 0 DGAEHM CCc1noc(C)c1[N-]C(=O)c1nc(Cl)ccc1Cl ZINC000120925675 622057144 /nfs/dbraw/zinc/05/71/44/622057144.db2.gz TWRXNBBTXJFCER-UHFFFAOYSA-N -1 3 300.145 3.500 10 0 DGAEHM O=C(Nn1cnc2ccccc21)c1ccc2c(c1[O-])CCCC2 ZINC000184936364 660195890 /nfs/dbraw/zinc/19/58/90/660195890.db2.gz OHPKQZINVVILGI-UHFFFAOYSA-N -1 3 307.353 3.005 10 0 DGAEHM C[C@@H](C(=O)[O-])N(Cc1cc(Br)ccc1F)C1CC1 ZINC000262226089 655803700 /nfs/dbraw/zinc/80/37/00/655803700.db2.gz LIUJIMOGYUYZQT-QMMMGPOBSA-N -1 3 316.170 3.026 10 0 DGAEHM CC(C)[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccnc1Cl ZINC000096811232 657557937 /nfs/dbraw/zinc/55/79/37/657557937.db2.gz SUXGCIBWHJUREN-VXGBXAGGSA-N -1 3 316.854 3.228 10 0 DGAEHM CC[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)C1 ZINC000383900606 1177071936 /nfs/dbraw/zinc/07/19/36/1177071936.db2.gz MKBMQUYNXJBJIH-NXEZZACHSA-N -1 3 320.817 3.121 10 0 DGAEHM C[C@H](Cc1ccsc1)N(C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000081497752 1197226800 /nfs/dbraw/zinc/22/68/00/1197226800.db2.gz UNBJFIFHRPBMHK-LLVKDONJSA-N -1 3 322.405 3.365 10 0 DGAEHM CC1(C)CCC[C@H]([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)C1 ZINC000383770391 1197706172 /nfs/dbraw/zinc/70/61/72/1197706172.db2.gz QPSUZIDLNKYBDE-VIFPVBQESA-N -1 3 320.817 3.121 10 0 DGAEHM C[C@@H]1CCC[C@H]1C[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000230670578 1202598641 /nfs/dbraw/zinc/59/86/41/1202598641.db2.gz MJOSIBDUHZGXQT-BDAKNGLRSA-N -1 3 323.245 3.103 10 0 DGAEHM Cc1cccc(C(=O)Nc2cnc(Br)c(C)c2)c1[O-] ZINC000235916237 1096471237 /nfs/dbraw/zinc/47/12/37/1096471237.db2.gz PVOSRZUEAWKFHK-UHFFFAOYSA-N -1 3 321.174 3.419 10 0 DGAEHM O=C(CCC(=O)c1ccc(F)c(F)c1)Nc1cccc([O-])c1F ZINC000129386044 432004883 /nfs/dbraw/zinc/00/48/83/432004883.db2.gz FCAXFDSZGQDZLS-UHFFFAOYSA-N -1 3 323.270 3.411 10 0 DGAEHM COc1cccc([C@H]2C[C@H]2C(=O)Nc2cccc([O-])c2F)c1 ZINC000129345806 432005191 /nfs/dbraw/zinc/00/51/91/432005191.db2.gz WJHBHZHUMWWJMF-CHWSQXEVSA-N -1 3 301.317 3.282 10 0 DGAEHM COc1ccc(-c2cnc(OC)c3cccc([O-])c32)cc1C=O ZINC000090668885 185308936 /nfs/dbraw/zinc/30/89/36/185308936.db2.gz OVHVOMGSNAQEEO-UHFFFAOYSA-N -1 3 309.321 3.437 10 0 DGAEHM COc1cccc(C(=O)N2CC[C@H](c3ccccc3)[C@H]2C)c1[O-] ZINC000175699043 186189350 /nfs/dbraw/zinc/18/93/50/186189350.db2.gz RQMJPJOVAFXAQC-HIFRSBDPSA-N -1 3 311.381 3.419 10 0 DGAEHM O=C([N-]c1nnc(C(F)F)s1)c1coc(Br)c1 ZINC000067551741 432033216 /nfs/dbraw/zinc/03/32/16/432033216.db2.gz CFJOIBHTBMNNFA-UHFFFAOYSA-N -1 3 324.106 3.084 10 0 DGAEHM Cc1cc(C)n([C@H](C)C(=O)Nc2cc(Cl)cc(C)c2[O-])n1 ZINC000179804658 432071429 /nfs/dbraw/zinc/07/14/29/432071429.db2.gz DVHOYYMKXQJVIZ-LLVKDONJSA-N -1 3 307.781 3.367 10 0 DGAEHM Cc1csc([C@H](C)[N-]S(=O)(=O)c2cc(C)sc2C)n1 ZINC000170788384 432081867 /nfs/dbraw/zinc/08/18/67/432081867.db2.gz ZIKIBESKJZUBDT-VIFPVBQESA-N -1 3 316.473 3.169 10 0 DGAEHM COc1ccc([O-])c(C(=O)N2CCC[C@@H]2c2csc(C)n2)c1 ZINC000187037178 200051093 /nfs/dbraw/zinc/05/10/93/200051093.db2.gz SPTPSGFCNCVOJC-CQSZACIVSA-N -1 3 318.398 3.143 10 0 DGAEHM CC(F)(F)c1cccc(NC([O-])=NO[C@H]2CCCCO2)c1 ZINC000186948957 200036907 /nfs/dbraw/zinc/03/69/07/200036907.db2.gz NCYRSDLGURXXAY-LBPRGKRZSA-N -1 3 300.305 3.378 10 0 DGAEHM CC(F)(F)c1cccc(NC(=O)[N-]O[C@H]2CCCCO2)c1 ZINC000186948957 200036908 /nfs/dbraw/zinc/03/69/08/200036908.db2.gz NCYRSDLGURXXAY-LBPRGKRZSA-N -1 3 300.305 3.378 10 0 DGAEHM Cc1cccc(F)c1[N-]S(=O)(=O)c1cccc2ncccc21 ZINC000180743138 432099364 /nfs/dbraw/zinc/09/93/64/432099364.db2.gz SEBFAOCHXNRZMX-UHFFFAOYSA-N -1 3 316.357 3.483 10 0 DGAEHM COCc1ccsc1C(=O)[N-]c1nnc(CC(C)C)s1 ZINC000180856795 432102897 /nfs/dbraw/zinc/10/28/97/432102897.db2.gz XBJSLTYBPMPRHM-UHFFFAOYSA-N -1 3 311.432 3.197 10 0 DGAEHM COc1cc(OC)c(NCc2nc(C)ccc2[O-])cc1Cl ZINC000091993487 193138290 /nfs/dbraw/zinc/13/82/90/193138290.db2.gz DTBMWNQDNBVSNF-UHFFFAOYSA-N -1 3 308.765 3.378 10 0 DGAEHM C=Cc1ccc(S(=O)(=O)[N-][C@@H](C(C)C)C(F)(F)F)cc1 ZINC000451442907 241125683 /nfs/dbraw/zinc/12/56/83/241125683.db2.gz BLEVXKOCRXAGEJ-LBPRGKRZSA-N -1 3 307.337 3.195 10 0 DGAEHM CCCc1ccccc1NCc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000092215209 284005570 /nfs/dbraw/zinc/00/55/70/284005570.db2.gz ZVTMXIFSROFRBW-UHFFFAOYSA-N -1 3 311.307 3.353 10 0 DGAEHM O=C(N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000467710335 244005520 /nfs/dbraw/zinc/00/55/20/244005520.db2.gz GVVUFOLDPANXBJ-VIKVFOODSA-N -1 3 317.339 3.152 10 0 DGAEHM C[C@@H](CC1CCCCC1)C(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000119370038 284141449 /nfs/dbraw/zinc/14/14/49/284141449.db2.gz JGJGYBUNSATGKL-LBPRGKRZSA-N -1 3 315.421 3.355 10 0 DGAEHM C[C@@H](CC1CCCCC1)C(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000119370038 284141454 /nfs/dbraw/zinc/14/14/54/284141454.db2.gz JGJGYBUNSATGKL-LBPRGKRZSA-N -1 3 315.421 3.355 10 0 DGAEHM CCC[C@H](C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1)c1ccccc1 ZINC000473853670 244352919 /nfs/dbraw/zinc/35/29/19/244352919.db2.gz WUEADAOPFACBBP-GOEBONIOSA-N -1 3 313.401 3.206 10 0 DGAEHM Cc1ccc([N-]S(=O)(=O)c2cccc3ncccc32)c(F)c1 ZINC000120008230 284158411 /nfs/dbraw/zinc/15/84/11/284158411.db2.gz YOWWWEFZGXRVKO-UHFFFAOYSA-N -1 3 316.357 3.483 10 0 DGAEHM COc1ccc(C(=O)N(C)[C@H](C)Cc2ccc(C)cc2)c([O-])c1 ZINC000128807148 284387905 /nfs/dbraw/zinc/38/79/05/284387905.db2.gz UHLCHNFLNHAPHP-CQSZACIVSA-N -1 3 313.397 3.412 10 0 DGAEHM [O-]c1ccc(Br)c2c(Br)ccnc12 ZINC000135635361 432131066 /nfs/dbraw/zinc/13/10/66/432131066.db2.gz DYHUYFNDTMMHFF-UHFFFAOYSA-N -1 3 302.953 3.465 10 0 DGAEHM O=C([O-])c1ccc2nc3c(c(NC[C@@H]4CCCO4)c2c1)CCC3 ZINC000019794263 182149750 /nfs/dbraw/zinc/14/97/50/182149750.db2.gz MIQSPVUZBIWGJV-LBPRGKRZSA-N -1 3 312.369 3.013 10 0 DGAEHM Nc1ccc(Cl)c([N-]S(=O)(=O)c2cccc(Cl)c2)c1 ZINC000036743231 182840152 /nfs/dbraw/zinc/84/01/52/182840152.db2.gz JWBZVJVAQGRKMZ-UHFFFAOYSA-N -1 3 317.197 3.376 10 0 DGAEHM COc1ccc2[n-]cc(C(=O)Nc3ccccc3C)c(=O)c2c1 ZINC000039962758 183024827 /nfs/dbraw/zinc/02/48/27/183024827.db2.gz HKGZJTGQTGUTCH-UHFFFAOYSA-N -1 3 308.337 3.097 10 0 DGAEHM COc1cccc2c1[n-]cc(C(=O)Nc1ccccc1C)c2=O ZINC000039962849 183025144 /nfs/dbraw/zinc/02/51/44/183025144.db2.gz PSDCBXHYPODLIN-UHFFFAOYSA-N -1 3 308.337 3.097 10 0 DGAEHM Cc1c(Cl)ccc2c(=O)c(C(=O)Nc3cccnc3)c[n-]c12 ZINC000040359349 183057005 /nfs/dbraw/zinc/05/70/05/183057005.db2.gz RNLFEJQKOFNHLA-UHFFFAOYSA-N -1 3 313.744 3.137 10 0 DGAEHM O=C([O-])C[C@@H](c1ccccc1Br)N1CCCCC1 ZINC000057656288 184044411 /nfs/dbraw/zinc/04/44/11/184044411.db2.gz WLJGBECTOQZIFR-ZDUSSCGKSA-N -1 3 312.207 3.451 10 0 DGAEHM O=c1[n-]c(NCc2ccc(F)c(Cl)c2)nc2c1CCCC2 ZINC000057343157 184034327 /nfs/dbraw/zinc/03/43/27/184034327.db2.gz BWEQILLNPTXZDU-UHFFFAOYSA-N -1 3 307.756 3.053 10 0 DGAEHM CC[C@]1(C(=O)[O-])CCN(Cc2ccccc2Br)C1 ZINC000062937393 184261377 /nfs/dbraw/zinc/26/13/77/184261377.db2.gz VKSHMFQWMNQVFE-AWEZNQCLSA-N -1 3 312.207 3.136 10 0 DGAEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cccs3)cc2)n1 ZINC000064343014 184295071 /nfs/dbraw/zinc/29/50/71/184295071.db2.gz QLDIMBWLHGEUCM-UHFFFAOYSA-N -1 3 311.366 3.059 10 0 DGAEHM CNC(=O)c1cccc(-c2cc([O-])cc(Br)c2)c1 ZINC000065343871 184325304 /nfs/dbraw/zinc/32/53/04/184325304.db2.gz RXHYXRKXHRKNPO-UHFFFAOYSA-N -1 3 306.159 3.181 10 0 DGAEHM Cc1cc(C(=O)Nc2cc(-c3nccn3C)[n-]n2)ccc1Cl ZINC000119602210 195000871 /nfs/dbraw/zinc/00/08/71/195000871.db2.gz PPIJDFUEVVZWSD-UHFFFAOYSA-N -1 3 315.764 3.024 10 0 DGAEHM Cc1cc(C(=O)Nc2cc(-c3nccn3C)n[n-]2)ccc1Cl ZINC000119602210 195000872 /nfs/dbraw/zinc/00/08/72/195000872.db2.gz PPIJDFUEVVZWSD-UHFFFAOYSA-N -1 3 315.764 3.024 10 0 DGAEHM COc1ccccc1C[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000155165377 197027965 /nfs/dbraw/zinc/02/79/65/197027965.db2.gz ZDWODHGJMZDUCW-OAHLLOKOSA-N -1 3 311.381 3.248 10 0 DGAEHM COc1ccc(C(F)(F)C(=O)[N-][C@H]2COc3ccccc32)cc1 ZINC000124598718 195659047 /nfs/dbraw/zinc/65/90/47/195659047.db2.gz VPSZVXATELRCQU-AWEZNQCLSA-N -1 3 319.307 3.037 10 0 DGAEHM CCOc1cc([C@@H](N)C(=O)[O-])ccc1OCc1ccc(C)cc1 ZINC000004227596 400084536 /nfs/dbraw/zinc/08/45/36/400084536.db2.gz BQAIECLEUVBCHC-QGZVFWFLSA-N -1 3 315.369 3.057 10 0 DGAEHM COC(=O)c1cc(Cl)cc(NC(=O)c2cc(C)[nH]c2C)c1[O-] ZINC000588100655 400188513 /nfs/dbraw/zinc/18/85/13/400188513.db2.gz HSDWIBFSLWJPAS-UHFFFAOYSA-N -1 3 322.748 3.029 10 0 DGAEHM O=C([O-])c1ccc([C@@H]2CCN(Cc3ccccc3)CCO2)cc1 ZINC000140328360 400617684 /nfs/dbraw/zinc/61/76/84/400617684.db2.gz PNBXZZHNCMYADP-SFHVURJKSA-N -1 3 311.381 3.348 10 0 DGAEHM CO[C@@H](C)c1cccc(N[C@H](C)C(=O)[N-]c2cc(C)no2)c1 ZINC000171089346 400785319 /nfs/dbraw/zinc/78/53/19/400785319.db2.gz DRMRPNIHFPCSAB-NEPJUHHUSA-N -1 3 303.362 3.130 10 0 DGAEHM Cc1ccc(NC(=O)c2cnc(-c3ccncc3)s2)c([O-])c1 ZINC000175060230 400864640 /nfs/dbraw/zinc/86/46/40/400864640.db2.gz GPIFHMHRVDBLEG-UHFFFAOYSA-N -1 3 311.366 3.471 10 0 DGAEHM O=C(NC12CC3CC(CC(C3)C1)C2)c1cc(=O)c2ccccc2[n-]1 ZINC000061191327 401148734 /nfs/dbraw/zinc/14/87/34/401148734.db2.gz ZBFVNFKSSWMNAZ-UHFFFAOYSA-N -1 3 322.408 3.227 10 0 DGAEHM O=C(N[C@@]12C[C@@H]1CCCC2)c1cc([O-])cc(Br)c1 ZINC000634084918 401202551 /nfs/dbraw/zinc/20/25/51/401202551.db2.gz WLLYWQKPLIXHQQ-HZMBPMFUSA-N -1 3 310.191 3.217 10 0 DGAEHM O=C([O-])[C@@H]1CCC[C@@H](NCc2c(F)ccc(F)c2Cl)C1 ZINC000630461148 401272792 /nfs/dbraw/zinc/27/27/92/401272792.db2.gz AWDHLEMDDKZQQP-RKDXNWHRSA-N -1 3 303.736 3.351 10 0 DGAEHM O=C(N[C@@H]1CCCC1(F)F)c1cc([O-])cc(Br)c1 ZINC000627293663 401456970 /nfs/dbraw/zinc/45/69/70/401456970.db2.gz ZAGUIJSWDQRNFX-SNVBAGLBSA-N -1 3 320.133 3.072 10 0 DGAEHM CN1CCCN(C(=O)c2cccc([O-])c2)c2ccc(F)cc21 ZINC000364705884 287054433 /nfs/dbraw/zinc/05/44/33/287054433.db2.gz WPVPUMYIGUJPLF-UHFFFAOYSA-N -1 3 300.333 3.018 10 0 DGAEHM O=C(c1cc([O-])ccc1Cl)N1CCC[C@H]1c1nccs1 ZINC000365652379 287158327 /nfs/dbraw/zinc/15/83/27/287158327.db2.gz VGZPHCQBAMQIEH-LBPRGKRZSA-N -1 3 308.790 3.479 10 0 DGAEHM Cn1ccc2cccc(NCc3nc(C(F)(F)F)cc(=O)[n-]3)c21 ZINC000190808079 432190290 /nfs/dbraw/zinc/19/02/90/432190290.db2.gz XUIKYWVBJRESCL-UHFFFAOYSA-N -1 3 322.290 3.305 10 0 DGAEHM CCO[C@H]1C[C@@H](N(C)C(=O)c2cccc([O-])c2)C12CCCC2 ZINC000182494436 432196529 /nfs/dbraw/zinc/19/65/29/432196529.db2.gz LQGNMUXOXCZIHR-CVEARBPZSA-N -1 3 303.402 3.202 10 0 DGAEHM O=C(/C=C/c1cncc([O-])c1)N1CCCC[C@H]1c1nccs1 ZINC000179523471 228351677 /nfs/dbraw/zinc/35/16/77/228351677.db2.gz USJPIEFSXJCWRQ-NNTXTVRGSA-N -1 3 315.398 3.011 10 0 DGAEHM O=C(c1ccc2c(c1[O-])CCCC2)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000185219173 228390070 /nfs/dbraw/zinc/39/00/70/228390070.db2.gz GHIZSNYSZOUJHE-DLBZAZTESA-N -1 3 315.413 3.055 10 0 DGAEHM CC(C)(C)c1nnsc1-c1nc(-c2ccc([O-])cc2)no1 ZINC000087454504 277280214 /nfs/dbraw/zinc/28/02/14/277280214.db2.gz HTRPJRWNZDVIBO-UHFFFAOYSA-N -1 3 302.359 3.258 10 0 DGAEHM COc1cccc(C(=O)N2C[C@H](c3ccccc3)C[C@H]2C)c1[O-] ZINC000115144486 278007618 /nfs/dbraw/zinc/00/76/18/278007618.db2.gz DBQJFXXOPURJPV-UKRRQHHQSA-N -1 3 311.381 3.419 10 0 DGAEHM CCN(C(=O)c1cc(OC)ccc1[O-])[C@H](C)c1cccnc1 ZINC000115223046 431441028 /nfs/dbraw/zinc/44/10/28/431441028.db2.gz WQYDTVWTSWTLST-GFCCVEGCSA-N -1 3 300.358 3.019 10 0 DGAEHM CC[C@@H](Cc1ccccc1)N(C)C(=O)c1cccc(OC)c1[O-] ZINC000173556045 280159456 /nfs/dbraw/zinc/15/94/56/280159456.db2.gz USMTURNLIWQWGZ-HNNXBMFYSA-N -1 3 313.397 3.494 10 0 DGAEHM NC(=O)N([O-])[C@@H]1CCCc2ccc(OCc3ccccc3)cc21 ZINC000013760613 431570095 /nfs/dbraw/zinc/57/00/95/431570095.db2.gz LNVVVRMZIXMLOY-QGZVFWFLSA-N -1 3 312.369 3.413 10 0 DGAEHM O=C1[N-]C(=O)c2cc(NCc3c(Cl)cccc3Cl)ccc21 ZINC000021513824 431630148 /nfs/dbraw/zinc/63/01/48/431630148.db2.gz DLTOLYAULFGVQM-UHFFFAOYSA-N -1 3 321.163 3.489 10 0 DGAEHM CCCc1nnc([N-]C(=O)c2coc(Br)c2)s1 ZINC000030612701 431741054 /nfs/dbraw/zinc/74/10/54/431741054.db2.gz SHEPFFPVYANHEN-UHFFFAOYSA-N -1 3 316.180 3.098 10 0 DGAEHM O=S1(=O)c2ccccc2-n2cccc2C([O-])=C1c1ccccc1 ZINC000029225886 431717585 /nfs/dbraw/zinc/71/75/85/431717585.db2.gz OQEFFTUXAUEWAX-GOSISDBHSA-N -1 3 323.373 3.189 10 0 DGAEHM O=[S@](Cc1ncc(-c2cccc(F)c2)o1)c1ccc([O-])cc1 ZINC000083079580 431807294 /nfs/dbraw/zinc/80/72/94/431807294.db2.gz OENGAYUNAOABKF-QFIPXVFZSA-N -1 3 317.341 3.494 10 0 DGAEHM CCc1cc(=O)[n-]c(CS[C@H](C)c2nc(C(C)(C)C)no2)n1 ZINC000125517244 431928195 /nfs/dbraw/zinc/92/81/95/431928195.db2.gz AFGBKCPIFWDSRV-SECBINFHSA-N -1 3 322.434 3.420 10 0 DGAEHM COC1CCC2(CC1)NC(=O)C(c1cc(C)ccc1C)=C2[O-] ZINC000101326965 431983973 /nfs/dbraw/zinc/98/39/73/431983973.db2.gz IDJJHEIUIYGFDX-UHFFFAOYSA-N -1 3 301.386 3.030 10 0 DGAEHM CC(=O)N1CCCc2cc(NCc3nc(C)ccc3[O-])ccc21 ZINC000128119050 431987952 /nfs/dbraw/zinc/98/79/52/431987952.db2.gz DTWDDOJOCKGBJQ-UHFFFAOYSA-N -1 3 311.385 3.007 10 0 DGAEHM Cc1ccc([O-])c(C(=O)N(C[C@@H]2CCCO2)C2CCCC2)c1 ZINC000174539962 432354905 /nfs/dbraw/zinc/35/49/05/432354905.db2.gz VNJZEGLEQGLUPG-HNNXBMFYSA-N -1 3 303.402 3.264 10 0 DGAEHM COc1cccc(C(=O)N2CCc3c(Cl)cccc3C2)c1[O-] ZINC000153386630 432404962 /nfs/dbraw/zinc/40/49/62/432404962.db2.gz FBQAEAPKIZGQEF-UHFFFAOYSA-N -1 3 317.772 3.253 10 0 DGAEHM C[C@@H]1COCC[C@H]1C(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000192827130 432418280 /nfs/dbraw/zinc/41/82/80/432418280.db2.gz XWFQFVRKPRABAY-PSASIEDQSA-N -1 3 303.280 3.022 10 0 DGAEHM C[C@H](c1ncc(C(C)(C)C)o1)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262060908 432471070 /nfs/dbraw/zinc/47/10/70/432471070.db2.gz BQPYXXLWPNKVLG-BWACUDIHSA-N -1 3 306.406 3.220 10 0 DGAEHM O=C([O-])[C@@]12CCC[C@H]1CN(Cc1csc(C3CCCC3)n1)C2 ZINC000262148607 432477219 /nfs/dbraw/zinc/47/72/19/432477219.db2.gz MSFDMXNIAXDSFJ-SUMWQHHRSA-N -1 3 320.458 3.487 10 0 DGAEHM CCOc1cccnc1C(=O)[N-]c1nnc(C(CC)CC)s1 ZINC000176150506 432497660 /nfs/dbraw/zinc/49/76/60/432497660.db2.gz WNUWBQCDRZAVKM-UHFFFAOYSA-N -1 3 320.418 3.488 10 0 DGAEHM Cc1ccc([C@@H]2CCCCN2C(=O)c2cccc3[n-]nnc32)o1 ZINC000188138726 432707371 /nfs/dbraw/zinc/70/73/71/432707371.db2.gz PLQSTRFAULNSDC-AWEZNQCLSA-N -1 3 310.357 3.227 10 0 DGAEHM Cc1ccc([C@@H]2CCCCN2C(=O)c2cccc3nn[n-]c32)o1 ZINC000188138726 432707374 /nfs/dbraw/zinc/70/73/74/432707374.db2.gz PLQSTRFAULNSDC-AWEZNQCLSA-N -1 3 310.357 3.227 10 0 DGAEHM Cc1ccc([C@@H]2CCCCN2C(=O)c2cccc3n[n-]nc32)o1 ZINC000188138726 432707377 /nfs/dbraw/zinc/70/73/77/432707377.db2.gz PLQSTRFAULNSDC-AWEZNQCLSA-N -1 3 310.357 3.227 10 0 DGAEHM CC(=O)c1ccc(C(=O)N2CC[C@](C)(c3ccccc3)C2)cc1[O-] ZINC000412177075 433088406 /nfs/dbraw/zinc/08/84/06/433088406.db2.gz UHNVCBNYCNGLEX-FQEVSTJZSA-N -1 3 323.392 3.399 10 0 DGAEHM CC(=O)c1ccc(C(=O)NC2CCC(C(F)F)CC2)cc1[O-] ZINC000412419038 433199676 /nfs/dbraw/zinc/19/96/76/433199676.db2.gz MVNPOAZLTGFJKT-UHFFFAOYSA-N -1 3 311.328 3.149 10 0 DGAEHM [O-]c1cncc(/C=C\c2nc(COc3ccc(F)cc3)no2)c1 ZINC000362723905 433837062 /nfs/dbraw/zinc/83/70/62/433837062.db2.gz MDGPFZYWSBOQMR-BHQIHCQQSA-N -1 3 313.288 3.059 10 0 DGAEHM Cc1cnc(N2CCC(C(=O)Nc3ccccc3[O-])CC2)s1 ZINC000302866426 433891492 /nfs/dbraw/zinc/89/14/92/433891492.db2.gz YRQXEOVEIBFDEP-UHFFFAOYSA-N -1 3 317.414 3.012 10 0 DGAEHM CCCCO[C@H]1C[C@H](N(C)C(=O)c2cccc([O-])c2)C1(C)C ZINC000357314460 433947726 /nfs/dbraw/zinc/94/77/26/433947726.db2.gz SQYHVGBCMJAGSV-HOTGVXAUSA-N -1 3 305.418 3.448 10 0 DGAEHM COC[C@H](NC(=O)c1ccc(C)c(C)c1[O-])c1ccc(F)cc1 ZINC000436575259 434016999 /nfs/dbraw/zinc/01/69/99/434016999.db2.gz NHIKRGRINPUHHA-INIZCTEOSA-N -1 3 317.360 3.266 10 0 DGAEHM C[C@H]1c2cc(F)cc(F)c2CCN1C(=O)c1cccc([O-])c1 ZINC000357406028 433996181 /nfs/dbraw/zinc/99/61/81/433996181.db2.gz DHZWVLQHHBUREJ-JTQLQIEISA-N -1 3 303.308 3.430 10 0 DGAEHM CC(=O)c1[n-]c(=NC2CCN(c3ccccc3)CC2)sc1C ZINC000450268942 434068669 /nfs/dbraw/zinc/06/86/69/434068669.db2.gz JOGMAWSKRUCBBR-UHFFFAOYSA-N -1 3 315.442 3.157 10 0 DGAEHM Cc1cccc(C(=O)NCC2CCN(c3ccccc3)CC2)c1[O-] ZINC000436790516 434110732 /nfs/dbraw/zinc/11/07/32/434110732.db2.gz IEGJFILRIYVXMZ-UHFFFAOYSA-N -1 3 324.424 3.347 10 0 DGAEHM CN(C)c1noc(-c2cc(CCc3ccccc3)ccc2[O-])n1 ZINC000436891068 434157991 /nfs/dbraw/zinc/15/79/91/434157991.db2.gz HFPSFWMNPKZRLB-UHFFFAOYSA-N -1 3 309.369 3.293 10 0 DGAEHM CO[C@H]1CN(Cc2cccc([O-])c2Br)CC[C@H]1C ZINC000315220126 434159878 /nfs/dbraw/zinc/15/98/78/434159878.db2.gz FGYCBRANGZUKQO-MFKMUULPSA-N -1 3 314.223 3.012 10 0 DGAEHM CC1(C)SC[C@@H]1NCc1cccc([O-])c1Br ZINC000315365375 434165006 /nfs/dbraw/zinc/16/50/06/434165006.db2.gz FQMORTGBQQFPIK-JTQLQIEISA-N -1 3 302.237 3.138 10 0 DGAEHM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2csc(=O)[n-]2)o1 ZINC000364191260 434258523 /nfs/dbraw/zinc/25/85/23/434258523.db2.gz RNCLPKINUGQKBD-CABZTGNLSA-N -1 3 306.387 3.364 10 0 DGAEHM CCN(Cc1cccc([O-])c1Br)[C@H]1CCCOC1 ZINC000402776610 434503108 /nfs/dbraw/zinc/50/31/08/434503108.db2.gz VZSNWGMEWJDGLC-LBPRGKRZSA-N -1 3 314.223 3.156 10 0 DGAEHM C[C@@H](CC(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1)C1CCCCC1 ZINC000525967334 295046029 /nfs/dbraw/zinc/04/60/29/295046029.db2.gz DZKJPKRTUVQSLQ-SWLSCSKDSA-N -1 3 305.422 3.228 10 0 DGAEHM Cc1ccc(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)c(Cl)c1C ZINC000527499202 295099246 /nfs/dbraw/zinc/09/92/46/295099246.db2.gz PDDHNQQBQPZXKJ-ZDUSSCGKSA-N -1 3 319.792 3.206 10 0 DGAEHM O=C([N-]c1ccc(F)cc1F)c1ncsc1Br ZINC000360925721 434733836 /nfs/dbraw/zinc/73/38/36/434733836.db2.gz WOMPVDHLJCXTCS-UHFFFAOYSA-N -1 3 319.130 3.436 10 0 DGAEHM CCOC(=O)c1cc(Br)c(C(F)(F)F)cc1[O-] ZINC000575699197 435046968 /nfs/dbraw/zinc/04/69/68/435046968.db2.gz FLCJFCCDDYEDFR-UHFFFAOYSA-N -1 3 313.069 3.350 10 0 DGAEHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]CCCC1CC1 ZINC000531610397 435104511 /nfs/dbraw/zinc/10/45/11/435104511.db2.gz UBERHEKUGJDREZ-UHFFFAOYSA-N -1 3 311.378 3.349 10 0 DGAEHM O=C(c1cc([O-])c2ccccc2c1)N1CC[C@@H]2OCCC[C@H]2C1 ZINC000376431490 312948685 /nfs/dbraw/zinc/94/86/85/312948685.db2.gz BIOXQZDFQCYDCM-KSSFIOAISA-N -1 3 311.381 3.187 10 0 DGAEHM C[C@@H]1CC[C@H](C)N(C(=O)c2cc([O-])cc(Br)c2)C1 ZINC000528709485 313064102 /nfs/dbraw/zinc/06/41/02/313064102.db2.gz XLRXKCVSXVAKJY-ZJUUUORDSA-N -1 3 312.207 3.415 10 0 DGAEHM C[C@@H](CCC(C)(C)C)C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000542656172 314088527 /nfs/dbraw/zinc/08/85/27/314088527.db2.gz OWBYMGCFZCVPGX-LBPRGKRZSA-N -1 3 315.421 3.191 10 0 DGAEHM C[C@@H](CCC(C)(C)C)C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000542656172 314088531 /nfs/dbraw/zinc/08/85/31/314088531.db2.gz OWBYMGCFZCVPGX-LBPRGKRZSA-N -1 3 315.421 3.191 10 0 DGAEHM COc1cccc(Cl)c1CC(=O)Nc1cccc([O-])c1F ZINC000184912688 323377520 /nfs/dbraw/zinc/37/75/20/323377520.db2.gz UTYXIXDIHVYYFX-UHFFFAOYSA-N -1 3 309.724 3.375 10 0 DGAEHM C=Cc1ccc(CCNC(=O)c2cc(=O)c3ccccc3[n-]2)cc1 ZINC000428286085 526273368 /nfs/dbraw/zinc/27/33/68/526273368.db2.gz ILPSSMDMFLJLLK-UHFFFAOYSA-N -1 3 318.376 3.144 10 0 DGAEHM O=C(NCc1cccc(-c2ccccn2)c1)c1ccc(O)cc1[O-] ZINC000156908377 526706105 /nfs/dbraw/zinc/70/61/05/526706105.db2.gz FTEMUNPLLJOYHJ-UHFFFAOYSA-N -1 3 320.348 3.090 10 0 DGAEHM O=c1cc(CN2CCCC2)nc(-c2ccc(C(F)(F)F)cc2)[n-]1 ZINC000073637708 527477070 /nfs/dbraw/zinc/47/70/70/527477070.db2.gz VGDBGGSFHITTOQ-UHFFFAOYSA-N -1 3 323.318 3.052 10 0 DGAEHM C[C@H](NC(=O)c1cccc2nn[n-]c21)c1ccc(F)c(Cl)c1 ZINC000163576873 546083035 /nfs/dbraw/zinc/08/30/35/546083035.db2.gz YCRVUZOVOAROQA-QMMMGPOBSA-N -1 3 318.739 3.241 10 0 DGAEHM C[C@H](NC(=O)c1cccc2[n-]nnc21)c1ccc(F)c(Cl)c1 ZINC000163576873 546083042 /nfs/dbraw/zinc/08/30/42/546083042.db2.gz YCRVUZOVOAROQA-QMMMGPOBSA-N -1 3 318.739 3.241 10 0 DGAEHM C[C@H](NC(=O)c1cccc2n[n-]nc21)c1ccc(F)c(Cl)c1 ZINC000163576873 546083047 /nfs/dbraw/zinc/08/30/47/546083047.db2.gz YCRVUZOVOAROQA-QMMMGPOBSA-N -1 3 318.739 3.241 10 0 DGAEHM CO[C@@H]1[C@H](C)[C@H](NC(=O)c2cc([O-])c3ccccc3c2)C1(C)C ZINC000526921849 546968609 /nfs/dbraw/zinc/96/86/09/546968609.db2.gz MGAREMZPHGNDRQ-ZTFRIQLXSA-N -1 3 313.397 3.335 10 0 DGAEHM O=C(NCCOCc1ccccc1)c1cc([O-])c2ccccc2c1 ZINC000527458023 546971021 /nfs/dbraw/zinc/97/10/21/546971021.db2.gz MBOZMULSTZIUIY-UHFFFAOYSA-N -1 3 321.376 3.492 10 0 DGAEHM C[C@@H]1CN(Cc2csc(C(F)(F)F)c2)C[C@H]1CC(=O)[O-] ZINC000722636441 655543801 /nfs/dbraw/zinc/54/38/01/655543801.db2.gz VFXHXBLVPUNGPU-PSASIEDQSA-N -1 3 307.337 3.310 10 0 DGAEHM CC1(NC(=O)c2cc([O-])cc(Br)c2)CC(F)(F)C1 ZINC000720971795 658272638 /nfs/dbraw/zinc/27/26/38/658272638.db2.gz XCNBZDLJLVVQSH-UHFFFAOYSA-N -1 3 320.133 3.072 10 0 DGAEHM Cc1cccc([N-]S(=O)(=O)c2cccc3ncccc32)c1F ZINC000180021555 659949887 /nfs/dbraw/zinc/94/98/87/659949887.db2.gz VRXGINYUGSDLGH-UHFFFAOYSA-N -1 3 316.357 3.483 10 0 DGAEHM O=C([N-]c1cc(F)ccc1F)c1nc(Br)cs1 ZINC000191834396 662082015 /nfs/dbraw/zinc/08/20/15/662082015.db2.gz KHSCTQPVUCWJDP-UHFFFAOYSA-N -1 3 319.130 3.436 10 0 DGAEHM CC[C@@H]([N-]C(=O)C(F)(F)c1ncccc1C)c1nccs1 ZINC000192582069 662105624 /nfs/dbraw/zinc/10/56/24/662105624.db2.gz HVMBIKHELWDVFU-SNVBAGLBSA-N -1 3 311.357 3.206 10 0 DGAEHM O=C(Cc1cn2cc(F)ccc2n1)Nc1cc(Cl)ccc1[O-] ZINC000075306134 1196372641 /nfs/dbraw/zinc/37/26/41/1196372641.db2.gz POVICPVASHPIGP-UHFFFAOYSA-N -1 3 319.723 3.014 10 0 DGAEHM O=C([O-])CC[C@H](Cc1ccccc1)[NH2+]Cc1cc([O-])cc(F)c1 ZINC000263469313 1204335882 /nfs/dbraw/zinc/33/58/82/1204335882.db2.gz DFEFPJHDANOKJQ-MRXNPFEDSA-N -1 3 317.360 3.097 10 0 DGAEHM CCc1ccc(C(=O)N(C)CCc2ccccc2OC)c([O-])c1 ZINC000191168603 529592027 /nfs/dbraw/zinc/59/20/27/529592027.db2.gz SBQAGTTXPHWVBM-UHFFFAOYSA-N -1 3 313.397 3.278 10 0 DGAEHM O=c1c([O-])c(-c2cccc(Br)c2)nc2[nH]cccc1-2 ZINC000090550210 185302428 /nfs/dbraw/zinc/30/24/28/185302428.db2.gz PGSORVCHQAEZBI-UHFFFAOYSA-N -1 3 317.142 3.058 10 0 DGAEHM CCc1nc(C(C)(C)NC(=O)c2ccc(C(C)C)cc2[O-])no1 ZINC000443375658 529713204 /nfs/dbraw/zinc/71/32/04/529713204.db2.gz OQZOYHDWSZOWGO-UHFFFAOYSA-N -1 3 317.389 3.126 10 0 DGAEHM NC(=O)N([O-])[C@@H]1CCCc2cc(OCc3ccccc3)ccc21 ZINC000003803966 181046084 /nfs/dbraw/zinc/04/60/84/181046084.db2.gz HGXVXGSOOPCMHM-QGZVFWFLSA-N -1 3 312.369 3.413 10 0 in-vivo DGAEHM CCc1noc(C)c1[N-]C(=O)c1sc([C@H](C)OC)nc1C ZINC000132918814 432055680 /nfs/dbraw/zinc/05/56/80/432055680.db2.gz YAMMSEUXEVBDRW-VIFPVBQESA-N -1 3 309.391 3.270 10 0 DGAEHM CCc1ccc(C(=O)N2CCO[C@H](c3cccs3)C2)c([O-])c1 ZINC000188364634 200233708 /nfs/dbraw/zinc/23/37/08/200233708.db2.gz UWUKFMPGUKRFHS-HNNXBMFYSA-N -1 3 317.410 3.230 10 0 DGAEHM Cc1cccnc1C(F)(F)C(=O)[N-][C@H]1CCOc2ccccc21 ZINC000195310111 201376443 /nfs/dbraw/zinc/37/64/43/201376443.db2.gz JWSICXVWLBNUKK-ZDUSSCGKSA-N -1 3 318.323 3.122 10 0 DGAEHM CC(C)c1cc(C(=O)N(C)CC2CC(O)C2)c([O-])c(C(C)C)c1 ZINC000135381938 432115911 /nfs/dbraw/zinc/11/59/11/432115911.db2.gz DUBYEGVOTXTXHV-UHFFFAOYSA-N -1 3 319.445 3.482 10 0 DGAEHM Cc1cc(C)cc([C@@H]2CCN(C(=O)c3cccc4[n-]nnc43)C2)c1 ZINC000119244428 284138565 /nfs/dbraw/zinc/13/85/65/284138565.db2.gz AHQQRUMFXAOILW-CQSZACIVSA-N -1 3 320.396 3.204 10 0 DGAEHM Cc1cc(C)cc([C@@H]2CCN(C(=O)c3cccc4nn[n-]c43)C2)c1 ZINC000119244428 284138567 /nfs/dbraw/zinc/13/85/67/284138567.db2.gz AHQQRUMFXAOILW-CQSZACIVSA-N -1 3 320.396 3.204 10 0 DGAEHM Cc1cc(C)cc([C@@H]2CCN(C(=O)c3cccc4n[n-]nc43)C2)c1 ZINC000119244428 284138568 /nfs/dbraw/zinc/13/85/68/284138568.db2.gz AHQQRUMFXAOILW-CQSZACIVSA-N -1 3 320.396 3.204 10 0 DGAEHM COc1cccc(C(=O)N(C)[C@@H](C)Cc2ccc(C)cc2)c1[O-] ZINC000129011358 284394676 /nfs/dbraw/zinc/39/46/76/284394676.db2.gz QMPRHTGBYWNPSU-AWEZNQCLSA-N -1 3 313.397 3.412 10 0 DGAEHM O=C(CCC(=O)c1ccc(Cl)s1)Nc1ncccc1[O-] ZINC000022265327 182315994 /nfs/dbraw/zinc/31/59/94/182315994.db2.gz XEZSFBFZWGKHPD-UHFFFAOYSA-N -1 3 310.762 3.104 10 0 DGAEHM COc1cccc2c1[n-]cc(C(=O)Nc1cc(C)cc(C)c1)c2=O ZINC000039962860 183025341 /nfs/dbraw/zinc/02/53/41/183025341.db2.gz DUOUOAAPAXTZMZ-UHFFFAOYSA-N -1 3 322.364 3.406 10 0 DGAEHM O=C(NC[C@@H]1C[C@@H]1c1ccccc1)c1c[n-]c2ccccc2c1=O ZINC000111047830 194387289 /nfs/dbraw/zinc/38/72/89/194387289.db2.gz HOHHDCSCFXXDJW-GOEBONIOSA-N -1 3 318.376 3.062 10 0 DGAEHM Cc1ccc(-c2cc(=O)[n-]c(NCc3ccccc3F)n2)cc1 ZINC000057342097 184034352 /nfs/dbraw/zinc/03/43/52/184034352.db2.gz QTVCHRNGLAKOMQ-UHFFFAOYSA-N -1 3 309.344 3.497 10 0 DGAEHM Cn1c2ccc(Br)cc2nc1-c1ccc(N)cc1[O-] ZINC000057815333 184055554 /nfs/dbraw/zinc/05/55/54/184055554.db2.gz FTRRCIRNDBZHNX-UHFFFAOYSA-N -1 3 318.174 3.291 10 0 DGAEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@H]3CC=CCC3)cc2)n1 ZINC000064343252 184294662 /nfs/dbraw/zinc/29/46/62/184294662.db2.gz UZVZDUKBQHUFHX-AWEZNQCLSA-N -1 3 309.369 3.040 10 0 DGAEHM Cc1ccc(C(C)(C)C(=O)Nc2cc(-c3nccn3C)[n-]n2)cc1 ZINC000119604304 195000036 /nfs/dbraw/zinc/00/00/36/195000036.db2.gz YBRGQTFVVYRFQF-UHFFFAOYSA-N -1 3 323.400 3.035 10 0 DGAEHM Cc1ccc(C(C)(C)C(=O)Nc2cc(-c3nccn3C)n[n-]2)cc1 ZINC000119604304 195000038 /nfs/dbraw/zinc/00/00/38/195000038.db2.gz YBRGQTFVVYRFQF-UHFFFAOYSA-N -1 3 323.400 3.035 10 0 DGAEHM Cc1ccc([O-])c(C(=O)N2CCC[C@@H]2c2noc(C(C)C)n2)c1 ZINC000156525755 197120603 /nfs/dbraw/zinc/12/06/03/197120603.db2.gz WREDMFVIAKZHGW-CYBMUJFWSA-N -1 3 315.373 3.184 10 0 DGAEHM COc1cccc(C(=O)Nc2cccc([C@@H](C)OC)c2)c1[O-] ZINC000170730611 533420691 /nfs/dbraw/zinc/42/06/91/533420691.db2.gz HCMBWJYAHSNWNF-LLVKDONJSA-N -1 3 301.342 3.361 10 0 DGAEHM O=C([O-])c1cccc([C@H]2COCCN(Cc3ccccc3)C2)c1 ZINC000616662024 400194986 /nfs/dbraw/zinc/19/49/86/400194986.db2.gz DQMPYVGJIPPCRH-GOSISDBHSA-N -1 3 311.381 3.001 10 0 DGAEHM O=C([O-])c1ccc([C@H]2CCOCCN2Cc2ccccc2)cc1 ZINC000616658505 400196016 /nfs/dbraw/zinc/19/60/16/400196016.db2.gz MGWMKRBFBNLBPG-GOSISDBHSA-N -1 3 311.381 3.348 10 0 DGAEHM COc1ccc([C@H](C)NC(=O)c2cc(C)ccc2[O-])cc1OC ZINC000045382025 400520452 /nfs/dbraw/zinc/52/04/52/400520452.db2.gz MOUAHNCRQBFKGJ-LBPRGKRZSA-N -1 3 315.369 3.209 10 0 DGAEHM CO[C@H](C)c1cccc(N[C@H](C)C(=O)[N-]c2cc(C)no2)c1 ZINC000171089335 400784824 /nfs/dbraw/zinc/78/48/24/400784824.db2.gz DRMRPNIHFPCSAB-VXGBXAGGSA-N -1 3 303.362 3.130 10 0 DGAEHM Cc1ccc(CCCC(=O)Nc2nnc(-c3ccccn3)[n-]2)cc1 ZINC000053528125 400788113 /nfs/dbraw/zinc/78/81/13/400788113.db2.gz DPAOIRKNYLUHMT-UHFFFAOYSA-N -1 3 321.384 3.137 10 0 DGAEHM Cc1ccc(CCCC(=O)Nc2nc(-c3ccccn3)n[n-]2)cc1 ZINC000053528125 400788118 /nfs/dbraw/zinc/78/81/18/400788118.db2.gz DPAOIRKNYLUHMT-UHFFFAOYSA-N -1 3 321.384 3.137 10 0 DGAEHM Cc1ccc(CCCC(=O)Nc2n[n-]c(-c3ccccn3)n2)cc1 ZINC000053528125 400788125 /nfs/dbraw/zinc/78/81/25/400788125.db2.gz DPAOIRKNYLUHMT-UHFFFAOYSA-N -1 3 321.384 3.137 10 0 DGAEHM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc2nccn2c1 ZINC000606752020 400954771 /nfs/dbraw/zinc/95/47/71/400954771.db2.gz JERMXEDIPWKOOE-UHFFFAOYSA-N -1 3 321.789 3.097 10 0 DGAEHM O=C(NCc1ccc(C2CC2)cc1)NCc1ccc([O-])c(F)c1 ZINC000189180777 165152936 /nfs/dbraw/zinc/15/29/36/165152936.db2.gz MYYQZEDSULIWDH-UHFFFAOYSA-N -1 3 314.360 3.408 10 0 DGAEHM Cc1csc([C@H]2CCCN([C@H](C)c3nc(C)cc(=O)[n-]3)C2)n1 ZINC000192562449 165295957 /nfs/dbraw/zinc/29/59/57/165295957.db2.gz IYJWRLKFWAIRER-OLZOCXBDSA-N -1 3 318.446 3.196 10 0 DGAEHM Cc1csc(C2CCN([C@@H](C)c3nc(C)cc(=O)[n-]3)CC2)n1 ZINC000192562689 165296287 /nfs/dbraw/zinc/29/62/87/165296287.db2.gz AOLOZCBLDSXCSJ-LBPRGKRZSA-N -1 3 318.446 3.196 10 0 DGAEHM Cc1cc(=O)[n-]c([C@@H](C)N2CC=C(c3cccs3)CC2)n1 ZINC000192595629 165297970 /nfs/dbraw/zinc/29/79/70/165297970.db2.gz XNQXDSUDELUDGM-GFCCVEGCSA-N -1 3 301.415 3.402 10 0 DGAEHM COc1cccc(C(=O)N2CCc3[nH]c4ccccc4c3C2)c1[O-] ZINC000192825006 165308682 /nfs/dbraw/zinc/30/86/82/165308682.db2.gz QKJCHXBIGFZMRK-UHFFFAOYSA-N -1 3 322.364 3.081 10 0 DGAEHM O=C(Nc1cc(Cl)ccc1[O-])[C@H]1CC(=O)Nc2ccccc21 ZINC000129456667 196050441 /nfs/dbraw/zinc/05/04/41/196050441.db2.gz POJBBIWRUIVTAO-NSHDSACASA-N -1 3 316.744 3.110 10 0 DGAEHM O=C(NCc1cccc(-c2ccccn2)c1)c1cccc([O-])c1 ZINC000182882893 432237738 /nfs/dbraw/zinc/23/77/38/432237738.db2.gz CNQZWYMCXJJJBW-UHFFFAOYSA-N -1 3 304.349 3.384 10 0 DGAEHM O=C(c1cccc([O-])c1)N1CCCC[C@H]1c1noc(C2CC2)n1 ZINC000367985936 271108668 /nfs/dbraw/zinc/10/86/68/271108668.db2.gz XRGWGRGSQUEJMP-AWEZNQCLSA-N -1 3 313.357 3.020 10 0 DGAEHM CC(C)c1nc2c([nH]1)C[C@H](C(=O)Nc1cc(F)ccc1[O-])CC2 ZINC000369573700 271295666 /nfs/dbraw/zinc/29/56/66/271295666.db2.gz AGBSJXOWZWZYEJ-SNVBAGLBSA-N -1 3 317.364 3.121 10 0 DGAEHM CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)Nc1cc(F)ccc1[O-])C2 ZINC000369573700 271295667 /nfs/dbraw/zinc/29/56/67/271295667.db2.gz AGBSJXOWZWZYEJ-SNVBAGLBSA-N -1 3 317.364 3.121 10 0 DGAEHM CC1(C)CO[C@H](c2ccccc2)CN1C(=O)c1ccccc1[O-] ZINC000171306402 278357605 /nfs/dbraw/zinc/35/76/05/278357605.db2.gz XVIQQNKEBBYDFL-KRWDZBQOSA-N -1 3 311.381 3.385 10 0 DGAEHM CC1=NC(=O)/C(=C\c2ccc([O-])cc2)N(C)N1c1ccccc1 ZINC000004509678 431301383 /nfs/dbraw/zinc/30/13/83/431301383.db2.gz JVNDJAJDGTXSOU-SFQUDFHCSA-N -1 3 307.353 3.045 10 0 DGAEHM COc1ccc(C(=O)N2CCC[C@@]3(CC=CCC3)C2)c([O-])c1 ZINC000114557827 431398529 /nfs/dbraw/zinc/39/85/29/431398529.db2.gz UYPBAVFEFIQFQM-SFHVURJKSA-N -1 3 301.386 3.363 10 0 DGAEHM COc1ccc([O-])c(C(=O)N2CCC[C@]3(CC=CCC3)C2)c1 ZINC000114557922 431398960 /nfs/dbraw/zinc/39/89/60/431398960.db2.gz VRCQLGLQDHPAFF-GOSISDBHSA-N -1 3 301.386 3.363 10 0 DGAEHM O=c1cc(CN2CCC[C@H]2c2ccco2)c2ccc([O-])cc2o1 ZINC000116296995 431503986 /nfs/dbraw/zinc/50/39/86/431503986.db2.gz WYZXYEMSTFQXRO-HNNXBMFYSA-N -1 3 311.337 3.429 10 0 DGAEHM COc1ccc2c(c1)[C@H](CCC[N-]C(=O)C(F)(F)F)CC2 ZINC000013491255 431557980 /nfs/dbraw/zinc/55/79/80/431557980.db2.gz HVUJGNBKHDFTFK-SNVBAGLBSA-N -1 3 301.308 3.184 10 0 DGAEHM COc1ccc([C@H](C)NC(=O)c2cccc(C)c2[O-])cc1OC ZINC000078280024 431652763 /nfs/dbraw/zinc/65/27/63/431652763.db2.gz JTCVBUAAIPGOGX-LBPRGKRZSA-N -1 3 315.369 3.209 10 0 DGAEHM Cc1ccc([C@H](C)[N-]S(=O)(=O)c2cc(C)c(F)cc2F)o1 ZINC000084656319 431831747 /nfs/dbraw/zinc/83/17/47/431831747.db2.gz LDEKWOTZVKJTAA-JTQLQIEISA-N -1 3 315.341 3.214 10 0 DGAEHM COc1cccc([C@@H]2C[C@@H]2C(=O)Nc2ccc([O-])cc2F)c1 ZINC000124354172 431892272 /nfs/dbraw/zinc/89/22/72/431892272.db2.gz DEJJHVQAJXUQGR-KBPBESRZSA-N -1 3 301.317 3.282 10 0 DGAEHM COc1ccc(C(F)(F)C(=O)[N-][C@@H]2COc3ccccc32)cc1 ZINC000124598487 431899277 /nfs/dbraw/zinc/89/92/77/431899277.db2.gz VPSZVXATELRCQU-CQSZACIVSA-N -1 3 319.307 3.037 10 0 DGAEHM C[C@@H]1C[C@H](N(C)C(=O)c2ccc3ccccc3c2[O-])CCN1C ZINC000124747241 431903574 /nfs/dbraw/zinc/90/35/74/431903574.db2.gz RAWDXUJWJCSLOY-UKRRQHHQSA-N -1 3 312.413 3.100 10 0 DGAEHM O=C(CCC(=O)c1ccc(F)c(F)c1)Nc1ccc([O-])cc1F ZINC000183285682 432278478 /nfs/dbraw/zinc/27/84/78/432278478.db2.gz MOEPKIXSICYYFK-UHFFFAOYSA-N -1 3 323.270 3.411 10 0 DGAEHM Cc1nc(CNC(=O)c2cc(C(C)C)cc(C(C)C)c2[O-])no1 ZINC000173624811 432291208 /nfs/dbraw/zinc/29/12/08/432291208.db2.gz NWKVRDWNHUYLEJ-UHFFFAOYSA-N -1 3 317.389 3.260 10 0 DGAEHM Cc1cc(C)cc([C@H]2CCN(C(=O)c3ccc(O)cc3[O-])C2)c1 ZINC000183750393 432322086 /nfs/dbraw/zinc/32/20/86/432322086.db2.gz UFRQASRKWDYLAL-AWEZNQCLSA-N -1 3 311.381 3.344 10 0 DGAEHM CCN1CCC[C@H]1CN(C)C(=O)c1cc2ccccc2cc1[O-] ZINC000174535936 432355315 /nfs/dbraw/zinc/35/53/15/432355315.db2.gz WJMGEGSBGDBTTM-INIZCTEOSA-N -1 3 312.413 3.102 10 0 DGAEHM COC(=O)c1coc(C(=O)[N-]c2ccc(OC(C)C)cc2F)c1 ZINC000184482597 432397124 /nfs/dbraw/zinc/39/71/24/432397124.db2.gz XVUNOWNRPYOSBD-UHFFFAOYSA-N -1 3 321.304 3.245 10 0 DGAEHM CC(=O)N1CCC(CCC(=O)Nc2ccc(Cl)cc2[O-])CC1 ZINC000153434102 432408222 /nfs/dbraw/zinc/40/82/22/432408222.db2.gz XXPPQGZDGOXFGN-UHFFFAOYSA-N -1 3 324.808 3.023 10 0 DGAEHM Cc1cc(=O)[n-]c([C@H](C)N[C@H](C)c2cccc(-n3ccnc3)c2)n1 ZINC000192774792 432413502 /nfs/dbraw/zinc/41/35/02/432413502.db2.gz PCTPTMMUTALUSQ-KGLIPLIRSA-N -1 3 323.400 3.088 10 0 DGAEHM COc1ccccc1-c1nc(NC(=O)[C@@H](C)CC(C)C)n[n-]1 ZINC000184704716 432423756 /nfs/dbraw/zinc/42/37/56/432423756.db2.gz PNTSPKUCUQZIQE-NSHDSACASA-N -1 3 302.378 3.101 10 0 DGAEHM CC(C)[C@@H]1C[C@@H]1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000185090401 432464844 /nfs/dbraw/zinc/46/48/44/432464844.db2.gz NIYPTDUYJSULMA-QWRGUYRKSA-N -1 3 312.207 3.063 10 0 DGAEHM CC(C)(C)c1cc(CN2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)no1 ZINC000263580555 432559614 /nfs/dbraw/zinc/55/96/14/432559614.db2.gz WCAQZLXLLVSGFU-UBHSHLNASA-N -1 3 306.406 3.190 10 0 DGAEHM Cc1ccccc1-c1nc(C[S@](=O)c2ccc([O-])cc2)no1 ZINC000157085631 432613497 /nfs/dbraw/zinc/61/34/97/432613497.db2.gz KRIXCJFQTFABHT-JOCHJYFZSA-N -1 3 314.366 3.058 10 0 DGAEHM C[C@H](C(=O)N1CC[C@@H](C)c2cccc([O-])c21)C1CCOCC1 ZINC000186321827 432581015 /nfs/dbraw/zinc/58/10/15/432581015.db2.gz UOTKTVGTDRFDKL-OLZOCXBDSA-N -1 3 303.402 3.295 10 0 DGAEHM COc1cccc([C@H]2C[C@H]2C(=O)Nc2cc(F)ccc2[O-])c1 ZINC000178327117 432722324 /nfs/dbraw/zinc/72/23/24/432722324.db2.gz QRULXLGRXYVVGI-ZIAGYGMSSA-N -1 3 301.317 3.282 10 0 DGAEHM COc1ccc2[nH]c(C(=O)N3CCCc4cccc([O-])c43)cc2c1 ZINC000188907163 432752116 /nfs/dbraw/zinc/75/21/16/432752116.db2.gz WAOJOEHBYFKUCR-UHFFFAOYSA-N -1 3 322.364 3.475 10 0 DGAEHM C1C(N=c2nc(C3CCCC3)[n-]s2)CC1N1CCCCC1 ZINC000420624469 433233009 /nfs/dbraw/zinc/23/30/09/433233009.db2.gz JWMZADSHPVUFSW-UHFFFAOYSA-N -1 3 306.479 3.046 10 0 DGAEHM CCCN(C[C@@H]1CCCCO1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000163662836 292870510 /nfs/dbraw/zinc/87/05/10/292870510.db2.gz GNSDLENLDKSPTJ-AWEZNQCLSA-N -1 3 324.396 3.022 10 0 DGAEHM CC1(C)CN(Cc2cc([O-])cc(C(F)(F)F)c2)[C@@H]2COC[C@@H]21 ZINC000449783389 433796086 /nfs/dbraw/zinc/79/60/86/433796086.db2.gz ORFIWZZEDGOEDU-UONOGXRCSA-N -1 3 315.335 3.268 10 0 DGAEHM O=C(N[C@@H]1CCOc2ccc(F)cc21)c1cc([O-])ccc1Cl ZINC000377924591 434036860 /nfs/dbraw/zinc/03/68/60/434036860.db2.gz XDDYDRDZSOSYHR-CQSZACIVSA-N -1 3 321.735 3.438 10 0 DGAEHM Cc1ccc(-c2nc(-c3cn(C)nc3C(F)(F)F)no2)c([O-])c1 ZINC000436780881 434105779 /nfs/dbraw/zinc/10/57/79/434105779.db2.gz QWIHMIUHOLXCBG-UHFFFAOYSA-N -1 3 324.262 3.170 10 0 DGAEHM Cc1ccc2[nH]c3c(c2c1)C[C@H](NC(=O)c1cccc([O-])c1)CC3 ZINC000509487801 294353949 /nfs/dbraw/zinc/35/39/49/294353949.db2.gz HELWFTQCLQBBGH-CQSZACIVSA-N -1 3 320.392 3.469 10 0 DGAEHM C[C@@H](NC(=O)c1cccc([O-])c1)c1ccc(Br)cn1 ZINC000357730570 434154372 /nfs/dbraw/zinc/15/43/72/434154372.db2.gz LWFBPFUQMHUWTC-SECBINFHSA-N -1 3 321.174 3.041 10 0 DGAEHM CO[C@H]1CN(Cc2cccc([O-])c2Br)CC[C@@H]1C ZINC000315220124 434157597 /nfs/dbraw/zinc/15/75/97/434157597.db2.gz FGYCBRANGZUKQO-GWCFXTLKSA-N -1 3 314.223 3.012 10 0 DGAEHM Cc1cnc([C@H](C)NCc2cccc([O-])c2Br)o1 ZINC000315513767 434168641 /nfs/dbraw/zinc/16/86/41/434168641.db2.gz FAXUCAJCSSIALD-VIFPVBQESA-N -1 3 311.179 3.302 10 0 DGAEHM CCCCOc1ccc(C(=O)N2CC(C)(CCOC)C2)c([O-])c1 ZINC000436930567 434175435 /nfs/dbraw/zinc/17/54/35/434175435.db2.gz YCUBUHWWFHJRJU-UHFFFAOYSA-N -1 3 321.417 3.070 10 0 DGAEHM COc1cc(NC(=O)c2cn[n-]c2-c2ccsc2)ccc1O ZINC000438093661 434404396 /nfs/dbraw/zinc/40/43/96/434404396.db2.gz IZQBDIFDKUGFAG-UHFFFAOYSA-N -1 3 315.354 3.105 10 0 DGAEHM COc1cc(NC(=O)c2c[n-]nc2-c2ccsc2)ccc1O ZINC000438093661 434404402 /nfs/dbraw/zinc/40/44/02/434404402.db2.gz IZQBDIFDKUGFAG-UHFFFAOYSA-N -1 3 315.354 3.105 10 0 DGAEHM CCc1ccc([O-])c(C(=O)N2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)c1 ZINC000408261554 434557196 /nfs/dbraw/zinc/55/71/96/434557196.db2.gz QQTZNXRAZYHGQH-OIISXLGYSA-N -1 3 317.429 3.110 10 0 DGAEHM C[C@@H](CC1CCCCC1)C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000527499615 295099107 /nfs/dbraw/zinc/09/91/07/295099107.db2.gz MZGPRIXNSYLFGO-WFASDCNBSA-N -1 3 305.422 3.228 10 0 DGAEHM [O-]c1c(OC(F)F)ccc(Br)c1OC(F)F ZINC000575677302 435043069 /nfs/dbraw/zinc/04/30/69/435043069.db2.gz SMPHMSMYGAEQGJ-UHFFFAOYSA-N -1 3 305.021 3.358 10 0 DGAEHM O=S(=O)([N-]CCCC1CC1)c1ccc(Cl)cc1Cl ZINC000578947128 435119734 /nfs/dbraw/zinc/11/97/34/435119734.db2.gz SQDWPLZQCKMQIV-UHFFFAOYSA-N -1 3 308.230 3.462 10 0 DGAEHM O=C(c1cc([O-])c2ccccc2c1)N1CC[C@H]2OCCC[C@@H]2C1 ZINC000376431491 312948501 /nfs/dbraw/zinc/94/85/01/312948501.db2.gz BIOXQZDFQCYDCM-RDTXWAMCSA-N -1 3 311.381 3.187 10 0 DGAEHM CC(C)[C@H](C)CNC(=O)c1cc([O-])cc(Br)c1 ZINC000528633299 313046769 /nfs/dbraw/zinc/04/67/69/313046769.db2.gz GCKUHNUUDZUVBI-SECBINFHSA-N -1 3 300.196 3.177 10 0 DGAEHM [O-]c1ccc(F)c(CN2CCC(C3CCOCC3)CC2)c1F ZINC000551331360 314558302 /nfs/dbraw/zinc/55/83/02/314558302.db2.gz QKBLNHFKSAORHG-UHFFFAOYSA-N -1 3 311.372 3.309 10 0 DGAEHM CC(=O)c1cccc(NC(=O)c2oc(CC3CC3)nc2C)c1[O-] ZINC000556891982 314786014 /nfs/dbraw/zinc/78/60/14/314786014.db2.gz FOKHXVCLTZLHKK-UHFFFAOYSA-N -1 3 314.341 3.096 10 0 DGAEHM Cc1nc(CN2[C@H](C)CC[C@H](C(=O)[O-])[C@@H]2C)nc2ccccc12 ZINC000575197041 316042544 /nfs/dbraw/zinc/04/25/44/316042544.db2.gz CPDDHUHTYJWOAW-ZLDLUXBVSA-N -1 3 313.401 3.012 10 0 DGAEHM O=C(N[C@@H]1CCc2cc(Cl)ccc21)c1cccc2nn[n-]c21 ZINC000182739310 323310780 /nfs/dbraw/zinc/31/07/80/323310780.db2.gz FYUHOYHHQBYBKD-CYBMUJFWSA-N -1 3 312.760 3.029 10 0 DGAEHM O=C(N[C@@H]1CCc2cc(Cl)ccc21)c1cccc2[n-]nnc21 ZINC000182739310 323310784 /nfs/dbraw/zinc/31/07/84/323310784.db2.gz FYUHOYHHQBYBKD-CYBMUJFWSA-N -1 3 312.760 3.029 10 0 DGAEHM O=C(N[C@@H]1CCc2cc(Cl)ccc21)c1cccc2n[n-]nc21 ZINC000182739310 323310786 /nfs/dbraw/zinc/31/07/86/323310786.db2.gz FYUHOYHHQBYBKD-CYBMUJFWSA-N -1 3 312.760 3.029 10 0 DGAEHM O=C([N-]c1ccc(Cl)cc1)c1nc(-c2cscn2)no1 ZINC000582218608 324204319 /nfs/dbraw/zinc/20/43/19/324204319.db2.gz GDYCXURZWWLZNE-UHFFFAOYSA-N -1 3 306.734 3.099 10 0 DGAEHM c1ccc([C@@H](CN2CCCC2)N=c2[n-]c(C3CCC3)no2)cc1 ZINC000582886162 324287053 /nfs/dbraw/zinc/28/70/53/324287053.db2.gz BBYWAAKERGNVNC-MRXNPFEDSA-N -1 3 312.417 3.008 10 0 DGAEHM Cc1ccc(CN(C)C(=O)c2c[n-]c3c(C)cccc3c2=O)o1 ZINC000154834927 524383958 /nfs/dbraw/zinc/38/39/58/524383958.db2.gz FVMOKGFWJUETPN-UHFFFAOYSA-N -1 3 310.353 3.422 10 0 DGAEHM O=c1cc(CN2CCCCC2)nc(-c2cccc(Cl)c2)[n-]1 ZINC000073637693 527476672 /nfs/dbraw/zinc/47/66/72/527476672.db2.gz HGBYBMBPRAQIIX-UHFFFAOYSA-N -1 3 303.793 3.076 10 0 DGAEHM O=C(c1cc([O-])c2ccccc2c1)N(CCO)Cc1ccccc1 ZINC000471709865 546901581 /nfs/dbraw/zinc/90/15/81/546901581.db2.gz UZQWOYVVQLFXAY-UHFFFAOYSA-N -1 3 321.376 3.180 10 0 DGAEHM CN(CCc1ccncc1)C(=O)c1cc([O-])c2ccccc2c1 ZINC000471873553 546902207 /nfs/dbraw/zinc/90/22/07/546902207.db2.gz DOMPKHXPEMURQQ-UHFFFAOYSA-N -1 3 306.365 3.255 10 0 DGAEHM CCCC[C@H](COC)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000527164446 546969430 /nfs/dbraw/zinc/96/94/30/546969430.db2.gz DUONPXHDZKNUGH-OAHLLOKOSA-N -1 3 301.386 3.480 10 0 DGAEHM O=C(OCc1cc2ccccc2nc1Cl)c1cncc([O-])c1 ZINC000731916413 574562086 /nfs/dbraw/zinc/56/20/86/574562086.db2.gz UKNGAOVMZOYSQA-UHFFFAOYSA-N -1 3 314.728 3.346 10 0 DGAEHM CCc1noc(C)c1[N-]C(=O)c1cc(Cl)cc(Cl)n1 ZINC000185674601 660236402 /nfs/dbraw/zinc/23/64/02/660236402.db2.gz GAETWLBLVVXWFK-UHFFFAOYSA-N -1 3 300.145 3.500 10 0 DGAEHM COc1ccccc1[N-]S(=O)(=O)/C=C/c1ccc(F)cc1 ZINC000176670342 655776268 /nfs/dbraw/zinc/77/62/68/655776268.db2.gz PMZWNUSHJKPOFV-ZHACJKMWSA-N -1 3 307.346 3.247 10 0 DGAEHM CCCCc1cc([N-]S(=O)(=O)C=Cc2ccc(F)cc2)n[nH]1 ZINC000177776066 655946339 /nfs/dbraw/zinc/94/63/39/655946339.db2.gz JFXKQPZGVQXTPI-MDZDMXLPSA-N -1 3 323.393 3.304 10 0 DGAEHM CC[C@H]([N-]C(=O)C(F)(F)c1ncccc1C)c1nccs1 ZINC000192582055 656179786 /nfs/dbraw/zinc/17/97/86/656179786.db2.gz HVMBIKHELWDVFU-JTQLQIEISA-N -1 3 311.357 3.206 10 0 DGAEHM C[C@H]1CCC[C@H](CC[N-]S(=O)(=O)c2cccnc2Cl)C1 ZINC000070548354 660065454 /nfs/dbraw/zinc/06/54/54/660065454.db2.gz QJYKHYDCEXQFEX-NWDGAFQWSA-N -1 3 316.854 3.230 10 0 DGAEHM C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)CC1 ZINC000380528152 1176874351 /nfs/dbraw/zinc/87/43/51/1176874351.db2.gz KBAFYASNVHDDQC-ZJUUUORDSA-N -1 3 320.817 3.121 10 0 DGAEHM CC(C)[C@@H]([N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)C1CC1 ZINC000324191854 1197692419 /nfs/dbraw/zinc/69/24/19/1197692419.db2.gz ORDGYRQXRXVQQZ-LLVKDONJSA-N -1 3 323.245 3.101 10 0 DGAEHM CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000312331159 1094980387 /nfs/dbraw/zinc/98/03/87/1094980387.db2.gz AGRSGNLNQBNUMO-SKDRFNHKSA-N -1 3 320.817 3.121 10 0 DGAEHM COc1ccc2c(c1)nc(-c1nc(C(C)C)cs1)[n-]c2=O ZINC000090548430 185302296 /nfs/dbraw/zinc/30/22/96/185302296.db2.gz QWMZQTJGGLLPLF-UHFFFAOYSA-N -1 3 301.371 3.179 10 0 DGAEHM CCc1ccc(CN2CC[C@@H](c3ccccc3C(=O)[O-])C2)nc1 ZINC000072129671 191044520 /nfs/dbraw/zinc/04/45/20/191044520.db2.gz RLYCTOYPWKAGOX-OAHLLOKOSA-N -1 3 310.397 3.332 10 0 DGAEHM Cc1cc(N(C)CCc2ccncc2)c2cc(C(=O)[O-])ccc2n1 ZINC000004226425 181085967 /nfs/dbraw/zinc/08/59/67/181085967.db2.gz KRPVXFDEDVAQBP-UHFFFAOYSA-N -1 3 321.380 3.315 10 0 DGAEHM COc1ccc(-c2cc(=O)[n-]c(-c3ccc(OC)cc3)n2)cc1 ZINC000073696329 191342912 /nfs/dbraw/zinc/34/29/12/191342912.db2.gz SXLUHQLXNHTRPI-UHFFFAOYSA-N -1 3 308.337 3.121 10 0 DGAEHM Cc1ccc(N2C[C@H](C(=O)Nc3c(C)cccc3[O-])CC2=O)cc1 ZINC000179544370 199053504 /nfs/dbraw/zinc/05/35/04/199053504.db2.gz ZPXXZMGBRZMRJQ-CQSZACIVSA-N -1 3 324.380 3.001 10 0 DGAEHM CC(F)(F)c1cccc(NC([O-])=NO[C@@H]2CCCCO2)c1 ZINC000186948938 200036221 /nfs/dbraw/zinc/03/62/21/200036221.db2.gz NCYRSDLGURXXAY-GFCCVEGCSA-N -1 3 300.305 3.378 10 0 DGAEHM CC(F)(F)c1cccc(NC(=O)[N-]O[C@@H]2CCCCO2)c1 ZINC000186948938 200036222 /nfs/dbraw/zinc/03/62/22/200036222.db2.gz NCYRSDLGURXXAY-GFCCVEGCSA-N -1 3 300.305 3.378 10 0 DGAEHM CCc1ccc(C(=O)N(C)Cc2ccc(Cl)nc2)c([O-])c1 ZINC000189194117 200362461 /nfs/dbraw/zinc/36/24/61/200362461.db2.gz ANOGVGIWTWBOHI-UHFFFAOYSA-N -1 3 304.777 3.275 10 0 DGAEHM C[C@@H]1OCCC[C@H]1C(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000189799718 432090744 /nfs/dbraw/zinc/09/07/44/432090744.db2.gz ZTLJAQGNWUAFTC-WCBMZHEXSA-N -1 3 303.280 3.165 10 0 DGAEHM COc1cccc(-c2nsc([N-]C(=O)c3ccc(C)o3)n2)c1 ZINC000077306522 283848866 /nfs/dbraw/zinc/84/88/66/283848866.db2.gz YYWRFFNMZCMPJL-UHFFFAOYSA-N -1 3 315.354 3.367 10 0 DGAEHM Cc1cccc(C(=O)N2C[C@H](c3ccccc3)OC[C@H]2C)c1[O-] ZINC000171209411 432112659 /nfs/dbraw/zinc/11/26/59/432112659.db2.gz KNVAIWAVRDPIOH-RHSMWYFYSA-N -1 3 311.381 3.303 10 0 DGAEHM CCc1ccc([O-])c(C(=O)N(C)CCc2ccccc2OC)c1 ZINC000104906992 284037633 /nfs/dbraw/zinc/03/76/33/284037633.db2.gz NCLAUOUHAOVHGC-UHFFFAOYSA-N -1 3 313.397 3.278 10 0 DGAEHM CO[C@H](C)CN(Cc1cccc([O-])c1Br)C(C)C ZINC000459344766 243341667 /nfs/dbraw/zinc/34/16/67/243341667.db2.gz MRHHEMYYJUVQIP-LLVKDONJSA-N -1 3 316.239 3.400 10 0 DGAEHM CC[C@H](CC1CCCC1)C(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000119709267 284149983 /nfs/dbraw/zinc/14/99/83/284149983.db2.gz XBJUIFAIOMTYFI-CYBMUJFWSA-N -1 3 315.421 3.355 10 0 DGAEHM CC[C@H](CC1CCCC1)C(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000119709267 284149985 /nfs/dbraw/zinc/14/99/85/284149985.db2.gz XBJUIFAIOMTYFI-CYBMUJFWSA-N -1 3 315.421 3.355 10 0 DGAEHM COc1ccc(OC)c(/C=C/C(=O)Nc2ccc(C)cc2[O-])c1 ZINC000015922960 182024279 /nfs/dbraw/zinc/02/42/79/182024279.db2.gz RBGJEYONOHSCCU-WEVVVXLNSA-N -1 3 313.353 3.370 10 0 DGAEHM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NCc1cccc([O-])c1Br ZINC000527805643 295133441 /nfs/dbraw/zinc/13/34/41/295133441.db2.gz VEPXXGQFBKXJNP-RZGXBDKHSA-N -1 3 314.223 3.056 10 0 DGAEHM Nc1c([N-]c2nccs2)ncnc1Nc1ccc(F)c(F)c1 ZINC000040780952 183132962 /nfs/dbraw/zinc/13/29/62/183132962.db2.gz WPGTUESQRZGFJG-UHFFFAOYSA-N -1 3 320.328 3.281 10 0 DGAEHM Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1cccc(C)c1[O-] ZINC000105882188 194155566 /nfs/dbraw/zinc/15/55/66/194155566.db2.gz JGBXXMBSVPUMEI-HNNXBMFYSA-N -1 3 313.401 3.028 10 0 DGAEHM CC[C@@]1(C(=O)[O-])CCN(Cc2ccccc2Br)C1 ZINC000062937394 184261017 /nfs/dbraw/zinc/26/10/17/184261017.db2.gz VKSHMFQWMNQVFE-CQSZACIVSA-N -1 3 312.207 3.136 10 0 DGAEHM COc1cccc(C(=O)N[C@@H](C)c2cccc(F)c2F)c1[O-] ZINC000155835799 533413636 /nfs/dbraw/zinc/41/36/36/533413636.db2.gz YWVNADYTHUJUBD-VIFPVBQESA-N -1 3 307.296 3.170 10 0 DGAEHM CCOc1cc([C@H](N)C(=O)[O-])ccc1OCc1ccc(C)cc1 ZINC000004227595 400085263 /nfs/dbraw/zinc/08/52/63/400085263.db2.gz BQAIECLEUVBCHC-KRWDZBQOSA-N -1 3 315.369 3.057 10 0 DGAEHM O=C([O-])c1cccc([C@H]2CCOCCN2Cc2ccccc2)c1 ZINC000616657609 400194958 /nfs/dbraw/zinc/19/49/58/400194958.db2.gz CPYJYYSKJAQUSM-GOSISDBHSA-N -1 3 311.381 3.348 10 0 DGAEHM CCOC(=O)[C@@]([O-])(c1ccc(C(F)(F)F)cc1)C(F)(F)F ZINC000043465309 400467838 /nfs/dbraw/zinc/46/78/38/400467838.db2.gz QSLRHSURSZVGCY-JTQLQIEISA-N -1 3 316.197 3.018 10 0 DGAEHM CCc1ccc([C@@H]2CCCCN2C(=O)c2ccc3n[n-]nc3c2)o1 ZINC000129439503 400526498 /nfs/dbraw/zinc/52/64/98/400526498.db2.gz BGYQAYXLLRHPTF-INIZCTEOSA-N -1 3 324.384 3.481 10 0 DGAEHM O=C(NCc1ccc([O-])c(F)c1)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000132805829 400564062 /nfs/dbraw/zinc/56/40/62/400564062.db2.gz NGCBGMSKVLQKFI-RYUDHWBXSA-N -1 3 321.298 3.229 10 0 DGAEHM CC(=O)c1cnc([N-]C(=O)c2ncoc2-c2ccccc2)s1 ZINC000135430270 400586181 /nfs/dbraw/zinc/58/61/81/400586181.db2.gz RYHRJQLZDWYYJL-UHFFFAOYSA-N -1 3 313.338 3.253 10 0 DGAEHM Fc1cc(F)cc(Cn2ccc3cc(-c4nnn[n-]4)ccc32)c1 ZINC000148478774 400656266 /nfs/dbraw/zinc/65/62/66/400656266.db2.gz VMVXVUVSUCREFS-UHFFFAOYSA-N -1 3 311.295 3.148 10 0 DGAEHM Fc1cc(F)cc(Cn2ccc3cc(-c4nn[n-]n4)ccc32)c1 ZINC000148478774 400656269 /nfs/dbraw/zinc/65/62/69/400656269.db2.gz VMVXVUVSUCREFS-UHFFFAOYSA-N -1 3 311.295 3.148 10 0 DGAEHM COc1ccc(S(=O)(=O)[N-]c2cccc([C@H](C)OC)c2)cc1 ZINC000171013748 400781981 /nfs/dbraw/zinc/78/19/81/400781981.db2.gz SJGGCSWGCSDVCU-LBPRGKRZSA-N -1 3 321.398 3.203 10 0 DGAEHM CCC(=O)N(Cc1cccc(C)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000084654563 401152348 /nfs/dbraw/zinc/15/23/48/401152348.db2.gz CTRYMEDIPPTXHY-UHFFFAOYSA-N -1 3 321.384 3.118 10 0 DGAEHM CCC(=O)N(Cc1cccc(C)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000084654563 401152351 /nfs/dbraw/zinc/15/23/51/401152351.db2.gz CTRYMEDIPPTXHY-UHFFFAOYSA-N -1 3 321.384 3.118 10 0 DGAEHM C[C@@H](CNC(=O)c1cc([O-])cc(Br)c1)CC(F)F ZINC000627908976 401500665 /nfs/dbraw/zinc/50/06/65/401500665.db2.gz NFAIGUKZJBEWKY-SSDOTTSWSA-N -1 3 322.149 3.176 10 0 DGAEHM CC(=O)[C@H](C)SCc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000360724526 286527013 /nfs/dbraw/zinc/52/70/13/286527013.db2.gz CGXHXEWYLQETOA-VIFPVBQESA-N -1 3 302.355 3.292 10 0 DGAEHM COc1ccc([O-])c(C(=O)N2Cc3ccccc3C3(CC3)C2)c1 ZINC000187292354 165085654 /nfs/dbraw/zinc/08/56/54/165085654.db2.gz QXPVYERVSIPIRA-UHFFFAOYSA-N -1 3 309.365 3.088 10 0 DGAEHM COc1ccc([C@@H]2C[C@H](C)N(C(=O)c3cccc([O-])c3)C2)cc1 ZINC000182479045 432194230 /nfs/dbraw/zinc/19/42/30/432194230.db2.gz OOWJSVSMLHXCMN-XJKSGUPXSA-N -1 3 311.381 3.419 10 0 DGAEHM Cc1c([O-])ccc2c(CSC3CCOCC3)cc(=O)oc12 ZINC000130983577 196129375 /nfs/dbraw/zinc/12/93/75/196129375.db2.gz KHXJXHCINGQZBH-UHFFFAOYSA-N -1 3 306.383 3.219 10 0 DGAEHM Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)c1cccc([O-])c1 ZINC000137321198 196573199 /nfs/dbraw/zinc/57/31/99/196573199.db2.gz QNBZBASEXJEFFS-LLVKDONJSA-N -1 3 301.390 3.143 10 0 DGAEHM COc1ccc2c(c1)CCN2C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000185683133 228395377 /nfs/dbraw/zinc/39/53/77/228395377.db2.gz CAXSDOMPONCYDG-UHFFFAOYSA-N -1 3 323.392 3.483 10 0 DGAEHM O=C([N-]c1nc2c(s1)CSCC2)c1nc(Cl)cs1 ZINC000367711973 271068971 /nfs/dbraw/zinc/06/89/71/271068971.db2.gz HBKRCFLXXNBGTD-UHFFFAOYSA-N -1 3 317.848 3.295 10 0 DGAEHM COc1cccc(C2=CCN(C(=O)c3cccc([O-])c3)CC2)c1 ZINC000367880580 271091089 /nfs/dbraw/zinc/09/10/89/271091089.db2.gz UWDSEUPLXRMWMU-UHFFFAOYSA-N -1 3 309.365 3.330 10 0 DGAEHM CC(=O)c1ccc(C(=O)[N-]c2nc(C(F)(F)F)cs2)o1 ZINC000447360132 275503620 /nfs/dbraw/zinc/50/36/20/275503620.db2.gz SSPPAPRLTGRGBY-UHFFFAOYSA-N -1 3 304.249 3.210 10 0 DGAEHM CC(=O)n1c2ccccc2c([O-])c1N(CC(C)C)CC(C)C ZINC000102102908 278076698 /nfs/dbraw/zinc/07/66/98/278076698.db2.gz ZDUZDMRJPCZUGZ-SFHVURJKSA-N -1 3 302.418 3.176 10 0 DGAEHM CC1(C)CO[C@@H](c2ccccc2)CN1C(=O)c1cccc([O-])c1 ZINC000182314151 278357035 /nfs/dbraw/zinc/35/70/35/278357035.db2.gz KIUCNJQGLVPKQT-QGZVFWFLSA-N -1 3 311.381 3.385 10 0 DGAEHM O=c1cc(CN2CCC[C@@H]2c2ccco2)c2ccc([O-])cc2o1 ZINC000116296999 431504505 /nfs/dbraw/zinc/50/45/05/431504505.db2.gz WYZXYEMSTFQXRO-OAHLLOKOSA-N -1 3 311.337 3.429 10 0 DGAEHM CC(C)Cc1nnc([N-]C(=O)c2ncccc2OC(C)C)s1 ZINC000079383067 431721334 /nfs/dbraw/zinc/72/13/34/431721334.db2.gz XUHKJHRZNHEMSU-UHFFFAOYSA-N -1 3 320.418 3.171 10 0 DGAEHM CCS(=O)(=O)[N-]c1ccc(-c2noc(C3CCCC3)n2)cc1 ZINC000033276347 431811728 /nfs/dbraw/zinc/81/17/28/431811728.db2.gz GJPQWIQKDNNHPL-UHFFFAOYSA-N -1 3 321.402 3.156 10 0 DGAEHM CCOc1ccccc1CN(C)C(=O)c1cc(OC)ccc1[O-] ZINC000080386473 431766501 /nfs/dbraw/zinc/76/65/01/431766501.db2.gz AHLHOFMOBKQAIZ-UHFFFAOYSA-N -1 3 315.369 3.072 10 0 DGAEHM CC(=O)c1cnc([N-]C(=O)c2c(F)cc(F)cc2F)s1 ZINC000121384519 431777100 /nfs/dbraw/zinc/77/71/00/431777100.db2.gz BJZVAQFNYREEKH-UHFFFAOYSA-N -1 3 300.261 3.015 10 0 DGAEHM COc1cccc([C@@H]2C[C@H]2C(=O)Nc2ccc([O-])cc2F)c1 ZINC000124354640 431891455 /nfs/dbraw/zinc/89/14/55/431891455.db2.gz DEJJHVQAJXUQGR-UONOGXRCSA-N -1 3 301.317 3.282 10 0 DGAEHM Cc1csc([C@@H]2CCCN(C(=O)c3cccc(C)c3[O-])C2)n1 ZINC000173752151 432297431 /nfs/dbraw/zinc/29/74/31/432297431.db2.gz LLGZGHWXZOOIDO-CYBMUJFWSA-N -1 3 316.426 3.485 10 0 DGAEHM CC[C@@H]([N-]S(=O)(=O)c1cccc(F)c1C)c1nccs1 ZINC000173186515 432263941 /nfs/dbraw/zinc/26/39/41/432263941.db2.gz AIVAFWZNFCOYAM-LLVKDONJSA-N -1 3 314.407 3.020 10 0 DGAEHM C[C@H]1CCN(C(=O)c2ccc3c(c2[O-])CCCC3)CCS1 ZINC000191941352 432316062 /nfs/dbraw/zinc/31/60/62/432316062.db2.gz GIGFWFHRPHJLJO-LBPRGKRZSA-N -1 3 305.443 3.239 10 0 DGAEHM Cc1cc(=O)[n-]c([C@H](C)N2C[C@@H](C)O[C@@H](c3ccsc3)C2)n1 ZINC000248773281 432318359 /nfs/dbraw/zinc/31/83/59/432318359.db2.gz TVONSILQWCSIDO-MBNYWOFBSA-N -1 3 319.430 3.075 10 0 DGAEHM O=S(=O)([N-]CC(F)(F)C(F)F)c1cccc2ccccc21 ZINC000192136019 432336763 /nfs/dbraw/zinc/33/67/63/432336763.db2.gz YSBARTDXPJAFOW-UHFFFAOYSA-N -1 3 321.295 3.019 10 0 DGAEHM COc1ccc([C@@H]2CCN([C@H](C)c3nc(C)cc(=O)[n-]3)C2)cc1 ZINC000248736286 432314529 /nfs/dbraw/zinc/31/45/29/432314529.db2.gz KXIZZASPXDRIIY-UKRRQHHQSA-N -1 3 313.401 3.050 10 0 DGAEHM O=C(C[C@H]1CCOc2ccccc21)[N-]OCc1ccc(F)cc1 ZINC000184239128 432370338 /nfs/dbraw/zinc/37/03/38/432370338.db2.gz WJIOYKIDJKGIDX-CQSZACIVSA-N -1 3 315.344 3.330 10 0 DGAEHM CCCNc1ccc(CNC(=O)c2cccc(OC)c2[O-])cc1 ZINC000193037952 432442292 /nfs/dbraw/zinc/44/22/92/432442292.db2.gz DHIUUVJWXSPAFP-UHFFFAOYSA-N -1 3 314.385 3.153 10 0 DGAEHM COc1cccc([C@@H]2C[C@H]2C(=O)Nc2cc(F)ccc2[O-])c1 ZINC000178327106 432722780 /nfs/dbraw/zinc/72/27/80/432722780.db2.gz QRULXLGRXYVVGI-UONOGXRCSA-N -1 3 301.317 3.282 10 0 DGAEHM C[C@H](O)C[C@H]1CCCCN1C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000279625814 432989596 /nfs/dbraw/zinc/98/95/96/432989596.db2.gz IEGRUGXVNQLKFU-XJKSGUPXSA-N -1 3 317.429 3.037 10 0 DGAEHM COc1cc(C)cc(N[C@@H](C)C(=O)[N-]c2cc(C)no2)c1C ZINC000447170804 433170819 /nfs/dbraw/zinc/17/08/19/433170819.db2.gz YTNHFYIBNXTCSK-LBPRGKRZSA-N -1 3 303.362 3.048 10 0 DGAEHM CC(C)c1cc(C(=O)N2C[C@@H](F)C[C@@H]2CO)c([O-])c(C(C)C)c1 ZINC000366685178 292976839 /nfs/dbraw/zinc/97/68/39/292976839.db2.gz LMLKWSIXKMBIOZ-UONOGXRCSA-N -1 3 323.408 3.184 10 0 DGAEHM O=C(NCC1CCN(c2ccccc2)CC1)c1cccc([O-])c1 ZINC000377399652 293655060 /nfs/dbraw/zinc/65/50/60/293655060.db2.gz PBKJCTQONJKWKW-UHFFFAOYSA-N -1 3 310.397 3.039 10 0 DGAEHM O=C(NC[C@H]1CCC[C@H](C(F)(F)F)C1)c1cccc([O-])c1 ZINC000357303649 433942309 /nfs/dbraw/zinc/94/23/09/433942309.db2.gz LIYWVHBUTUIGAJ-JQWIXIFHSA-N -1 3 301.308 3.491 10 0 DGAEHM O=C(N[C@@H]1CCCOc2ccc(F)cc21)c1cccc([O-])c1 ZINC000357345090 433964050 /nfs/dbraw/zinc/96/40/50/433964050.db2.gz JFKQXJKVALYRSZ-OAHLLOKOSA-N -1 3 301.317 3.175 10 0 DGAEHM CO[C@H](CNC(=O)c1cccc([O-])c1)c1ccc(Cl)cc1 ZINC000357362424 433973222 /nfs/dbraw/zinc/97/32/22/433973222.db2.gz HWQNSBSCAUAAMX-OAHLLOKOSA-N -1 3 305.761 3.163 10 0 DGAEHM COc1cc(C)cc(C(=O)Nc2cccc3c2OCCC3)c1[O-] ZINC000436585811 434027739 /nfs/dbraw/zinc/02/77/39/434027739.db2.gz QWKJSCNJWVLSRR-UHFFFAOYSA-N -1 3 313.353 3.287 10 0 DGAEHM CO[C@@H](c1ccc(F)cc1)[C@@H](C)NC(=O)c1cccc([O-])c1 ZINC000357506580 434052024 /nfs/dbraw/zinc/05/20/24/434052024.db2.gz ZBBZNAZTRVBGED-BDJLRTHQSA-N -1 3 303.333 3.037 10 0 DGAEHM CO[C@@H](C)[C@H](C)NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436865872 434143883 /nfs/dbraw/zinc/14/38/83/434143883.db2.gz UMXSNYCGDLAYKB-KBPBESRZSA-N -1 3 313.397 3.136 10 0 DGAEHM CN(C)c1noc(-c2cc(OCc3ccccc3)ccc2[O-])n1 ZINC000436897062 434155837 /nfs/dbraw/zinc/15/58/37/434155837.db2.gz QFTPCWDRFRCKDX-UHFFFAOYSA-N -1 3 311.341 3.087 10 0 DGAEHM CO[C@@H]1CN(Cc2cccc([O-])c2Br)CC[C@H]1C ZINC000315220127 434158388 /nfs/dbraw/zinc/15/83/88/434158388.db2.gz FGYCBRANGZUKQO-ZWNOBZJWSA-N -1 3 314.223 3.012 10 0 DGAEHM Cc1ccc([O-])c(C(=O)Nc2cncc(Br)c2)c1 ZINC000384945120 434293863 /nfs/dbraw/zinc/29/38/63/434293863.db2.gz XOMJIDKXKLITSS-UHFFFAOYSA-N -1 3 307.147 3.110 10 0 DGAEHM C[C@H](CC(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1)C1CCCCC1 ZINC000525967333 295046048 /nfs/dbraw/zinc/04/60/48/295046048.db2.gz DZKJPKRTUVQSLQ-IUODEOHRSA-N -1 3 305.422 3.228 10 0 DGAEHM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NCc1cccc([O-])c1Br ZINC000527805640 295133363 /nfs/dbraw/zinc/13/33/63/295133363.db2.gz VEPXXGQFBKXJNP-LFNDISMMSA-N -1 3 314.223 3.056 10 0 DGAEHM FC(F)(F)c1ccccc1Oc1ccc(-c2nnn[n-]2)cn1 ZINC000408500338 434580773 /nfs/dbraw/zinc/58/07/73/434580773.db2.gz OKEZTRVUPSJNBD-UHFFFAOYSA-N -1 3 307.235 3.073 10 0 DGAEHM FC(F)(F)c1ccccc1Oc1ccc(-c2nn[n-]n2)cn1 ZINC000408500338 434580776 /nfs/dbraw/zinc/58/07/76/434580776.db2.gz OKEZTRVUPSJNBD-UHFFFAOYSA-N -1 3 307.235 3.073 10 0 DGAEHM O=C([N-]c1cc(F)ccc1F)c1ncsc1Br ZINC000360918663 434731314 /nfs/dbraw/zinc/73/13/14/434731314.db2.gz KLVIPEFBELAKKF-UHFFFAOYSA-N -1 3 319.130 3.436 10 0 DGAEHM CCc1ncc(S(=O)(=O)[N-]C[C@H](C)c2ccc(C)cc2)s1 ZINC000460955666 434866979 /nfs/dbraw/zinc/86/69/79/434866979.db2.gz CLJKLZTXJDXQLT-LBPRGKRZSA-N -1 3 324.471 3.096 10 0 DGAEHM C[C@H]1CCN(C(=O)N=c2cc3ccccn3[n-]2)[C@H](c2ccco2)C1 ZINC000554416280 434927388 /nfs/dbraw/zinc/92/73/88/434927388.db2.gz LELSVOIEMRUWQB-ZFWWWQNUSA-N -1 3 324.384 3.354 10 0 DGAEHM COC(=O)Cc1cc([O-])c(C(F)(F)F)cc1C(F)(F)F ZINC000575340557 435031008 /nfs/dbraw/zinc/03/10/08/435031008.db2.gz NDIBJCFXIQJPDN-UHFFFAOYSA-N -1 3 302.170 3.145 10 0 DGAEHM COc1cccc(C[C@@H]2CCCN2C(=O)c2cccc([O-])c2)c1 ZINC000540961945 435630809 /nfs/dbraw/zinc/63/08/09/435630809.db2.gz JHGBJYOMPSQDEH-INIZCTEOSA-N -1 3 311.381 3.248 10 0 DGAEHM O=C(NCc1cnc2n1CCCC2)c1cc([O-])c2ccccc2c1 ZINC000377142621 313022036 /nfs/dbraw/zinc/02/20/36/313022036.db2.gz UVIZZIAKKDSNIU-UHFFFAOYSA-N -1 3 321.380 3.008 10 0 DGAEHM CCc1cccc(C(=O)NC2CCN(c3ccccc3)CC2)c1[O-] ZINC000531355314 313452791 /nfs/dbraw/zinc/45/27/91/313452791.db2.gz BYHONAJIJBMMDK-UHFFFAOYSA-N -1 3 324.424 3.353 10 0 DGAEHM O=C(N[C@H]1CCc2cc(Cl)ccc21)c1cccc2nn[n-]c21 ZINC000182739326 323310416 /nfs/dbraw/zinc/31/04/16/323310416.db2.gz FYUHOYHHQBYBKD-ZDUSSCGKSA-N -1 3 312.760 3.029 10 0 DGAEHM O=C(N[C@H]1CCc2cc(Cl)ccc21)c1cccc2[n-]nnc21 ZINC000182739326 323310420 /nfs/dbraw/zinc/31/04/20/323310420.db2.gz FYUHOYHHQBYBKD-ZDUSSCGKSA-N -1 3 312.760 3.029 10 0 DGAEHM O=C(N[C@H]1CCc2cc(Cl)ccc21)c1cccc2n[n-]nc21 ZINC000182739326 323310423 /nfs/dbraw/zinc/31/04/23/323310423.db2.gz FYUHOYHHQBYBKD-ZDUSSCGKSA-N -1 3 312.760 3.029 10 0 DGAEHM CC(=O)c1cccc(CNC(=O)c2cc3c(cc2[O-])CCCC3)c1 ZINC000583709096 324388451 /nfs/dbraw/zinc/38/84/51/324388451.db2.gz HCHPKTRYFAOJSI-UHFFFAOYSA-N -1 3 323.392 3.404 10 0 DGAEHM C[C@@H](NC(=O)c1cc(=O)[n-]c(-c2ccccc2)n1)c1ccccc1 ZINC000584637373 337379353 /nfs/dbraw/zinc/37/93/53/337379353.db2.gz SGVSKHMSTINRHN-CYBMUJFWSA-N -1 3 319.364 3.340 10 0 DGAEHM O=C([N-]c1c(O)cccc1F)c1occc1Br ZINC000081781734 545773371 /nfs/dbraw/zinc/77/33/71/545773371.db2.gz SNLXKJUOZPKBLP-UHFFFAOYSA-N -1 3 300.083 3.139 10 0 DGAEHM CC(C)CCn1ccc(=NC(=O)c2cc([O-])c3ccccc3c2)[nH]1 ZINC000527458242 546970931 /nfs/dbraw/zinc/97/09/31/546970931.db2.gz AIKQWWSZVUSSCW-UHFFFAOYSA-N -1 3 323.396 3.462 10 0 DGAEHM COC[C@@H]([N-]C(=O)C(F)(F)c1ccc(F)cc1)c1ccccc1 ZINC000727098140 576106916 /nfs/dbraw/zinc/10/69/16/576106916.db2.gz NRGTZFHMWUHSFC-OAHLLOKOSA-N -1 3 323.314 3.421 10 0 DGAEHM C[C@@H](NC(=O)c1cnc(C2CC2)[n-]c1=O)c1cccc(Cl)c1 ZINC000899961891 619385452 /nfs/dbraw/zinc/38/54/52/619385452.db2.gz CMLOKLCLVSGHIA-SECBINFHSA-N -1 3 317.776 3.204 10 0 DGAEHM O=C(NNc1ccncc1Cl)c1ccc2c(c1[O-])CCCC2 ZINC000185304904 660214765 /nfs/dbraw/zinc/21/47/65/660214765.db2.gz MHMKSAXPYCIGQH-UHFFFAOYSA-N -1 3 317.776 3.076 10 0 DGAEHM CC(C=C1SC(=S)NC1=O)=C1SC(=S)[N-]C1=O ZINC000056635581 658976835 /nfs/dbraw/zinc/97/68/35/658976835.db2.gz HEPBZCBUVKBSJE-ZUVMSYQZSA-N -1 3 302.427 3.121 10 0 DGAEHM Cc1nn(C)cc1NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000172626173 659347220 /nfs/dbraw/zinc/34/72/20/659347220.db2.gz LCPYOPUARYNCHF-UHFFFAOYSA-N -1 3 321.380 3.277 10 0 DGAEHM C[C@H]1CCC[C@@H](CC[N-]S(=O)(=O)c2cccnc2Cl)C1 ZINC000070548356 660065490 /nfs/dbraw/zinc/06/54/90/660065490.db2.gz QJYKHYDCEXQFEX-RYUDHWBXSA-N -1 3 316.854 3.230 10 0 DGAEHM CCCC[C@H](CCC)[N-]S(=O)(=O)c1cccnc1Cl ZINC000226132884 1176499348 /nfs/dbraw/zinc/49/93/48/1176499348.db2.gz UIVOTQBEKITJMT-NSHDSACASA-N -1 3 304.843 3.372 10 0 DGAEHM [O-]c1cccc(CNc2ccc3c(c2)OCO3)c1Br ZINC000315592919 1199808030 /nfs/dbraw/zinc/80/80/30/1199808030.db2.gz PZTFFTHGIVXSCV-UHFFFAOYSA-N -1 3 322.158 3.496 10 0 DGAEHM O=C([O-])c1ccc(CN[C@]23C[C@H]2CCC3)c(Br)c1 ZINC000822058080 978927643 /nfs/dbraw/zinc/92/76/43/978927643.db2.gz LFLHNDWHHPXMIK-BXUZGUMPSA-N -1 3 310.191 3.180 10 0 DGAEHM CCc1ccc([O-])c(-c2nc(CC(=O)Nc3ccccc3)no2)c1 ZINC000184848727 529690878 /nfs/dbraw/zinc/69/08/78/529690878.db2.gz WHQXOBMPUKCZKG-UHFFFAOYSA-N -1 3 323.352 3.186 10 0 DGAEHM Cc1ccc([O-])c(CNCc2ccc(Br)s2)n1 ZINC000103341505 432007497 /nfs/dbraw/zinc/00/74/97/432007497.db2.gz BSZDJBRSCAYOGC-UHFFFAOYSA-N -1 3 313.220 3.209 10 0 DGAEHM Cc1cccc(-c2noc(C[S@](=O)c3ccc([O-])cc3)n2)c1 ZINC000108083316 185500486 /nfs/dbraw/zinc/50/04/86/185500486.db2.gz MUKWMIPJFHSPTG-JOCHJYFZSA-N -1 3 314.366 3.058 10 0 DGAEHM C[C@@H](O)C[C@H]1CCCCN1C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000279625811 215014436 /nfs/dbraw/zinc/01/44/36/215014436.db2.gz IEGRUGXVNQLKFU-CZUORRHYSA-N -1 3 317.429 3.037 10 0 DGAEHM CC(C)Oc1ccc(F)cc1NC([O-])=NO[C@@H]1CCCCO1 ZINC000155979527 186124576 /nfs/dbraw/zinc/12/45/76/186124576.db2.gz JXMYFZBUOQINID-CQSZACIVSA-N -1 3 312.341 3.193 10 0 DGAEHM CC(C)Oc1ccc(F)cc1NC(=O)[N-]O[C@@H]1CCCCO1 ZINC000155979527 186124578 /nfs/dbraw/zinc/12/45/78/186124578.db2.gz JXMYFZBUOQINID-CQSZACIVSA-N -1 3 312.341 3.193 10 0 DGAEHM Cc1ccc([C@@H](C)NC(=O)c2c[n-]c3ccccc3c2=O)cc1F ZINC000130933724 432031023 /nfs/dbraw/zinc/03/10/23/432031023.db2.gz PJRKUEJSNCAODT-GFCCVEGCSA-N -1 3 324.355 3.467 10 0 DGAEHM CCCC[C@]1(CC)C(=O)[N-]C(=O)N=C1Nc1ccc(OC)cc1 ZINC000004057750 181067265 /nfs/dbraw/zinc/06/72/65/181067265.db2.gz UJGCCRPWGDSHRC-KRWDZBQOSA-N -1 3 317.389 3.342 10 0 DGAEHM C[C@@H]1CCN(C(=O)c2ccc(O)cc2[O-])[C@H]1c1cccc(F)c1 ZINC000179532905 199051588 /nfs/dbraw/zinc/05/15/88/199051588.db2.gz JFFKKEPIRSCLGO-PIGZYNQJSA-N -1 3 315.344 3.460 10 0 DGAEHM O=S(=O)([N-][C@@H]1C[C@H]1c1ccc2ccccc2c1)c1ccco1 ZINC000435438511 238307679 /nfs/dbraw/zinc/30/76/79/238307679.db2.gz OVOJRCDDXMJVPX-JKSUJKDBSA-N -1 3 313.378 3.267 10 0 DGAEHM C[C@@H]1CCSCCN1C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000189997510 432111160 /nfs/dbraw/zinc/11/11/60/432111160.db2.gz NALQYBBUNZJYMZ-GFCCVEGCSA-N -1 3 305.443 3.239 10 0 DGAEHM COc1cccc(C(=O)N(C)Cc2ccc(F)cc2Cl)c1[O-] ZINC000107159522 284052495 /nfs/dbraw/zinc/05/24/95/284052495.db2.gz NFANBVCSJSLKMG-UHFFFAOYSA-N -1 3 323.751 3.466 10 0 DGAEHM CCCC[C@H](CC)CC(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000473938310 244355766 /nfs/dbraw/zinc/35/57/66/244355766.db2.gz FDMYQWTZIMANLC-ZDUSSCGKSA-N -1 3 315.421 3.336 10 0 DGAEHM CCCC[C@H](CC)CC(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000473938310 244355769 /nfs/dbraw/zinc/35/57/69/244355769.db2.gz FDMYQWTZIMANLC-ZDUSSCGKSA-N -1 3 315.421 3.336 10 0 DGAEHM COc1ccc([O-])c(C(=O)Nc2cc(C)cc(OC)c2C)c1 ZINC000488163002 245156610 /nfs/dbraw/zinc/15/66/10/245156610.db2.gz OAVAHKCKPQGVPE-UHFFFAOYSA-N -1 3 301.342 3.279 10 0 DGAEHM C[C@H](Nc1ccc2c(c1)C(=O)[N-]C2=O)c1cccc(Cl)c1 ZINC000020017762 182179282 /nfs/dbraw/zinc/17/92/82/182179282.db2.gz TUBBSAJMWGEOHK-VIFPVBQESA-N -1 3 300.745 3.397 10 0 DGAEHM COc1cccc2c1[n-]cc(C(=O)Nc1cccc(C)c1)c2=O ZINC000039962859 183025266 /nfs/dbraw/zinc/02/52/66/183025266.db2.gz CDMXJPXZBAJTFS-UHFFFAOYSA-N -1 3 308.337 3.097 10 0 DGAEHM Cc1c(Cl)ccc2c(=O)c(C(=O)Nc3ccncc3)c[n-]c12 ZINC000040359327 183056883 /nfs/dbraw/zinc/05/68/83/183056883.db2.gz NPGKNYFHSPQDIG-UHFFFAOYSA-N -1 3 313.744 3.137 10 0 DGAEHM COc1cccc(-c2cc(=O)[n-]c(Nc3ccc(F)cc3)n2)c1 ZINC000057341616 184034549 /nfs/dbraw/zinc/03/45/49/184034549.db2.gz KIJGXQZQAFFYON-UHFFFAOYSA-N -1 3 311.316 3.328 10 0 DGAEHM Cc1nc(CNCc2ccc([O-])c(Br)c2)cs1 ZINC000057997812 184066170 /nfs/dbraw/zinc/06/61/70/184066170.db2.gz DXVLESRYPVOSFM-UHFFFAOYSA-N -1 3 313.220 3.209 10 0 DGAEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@H]3[C@@H]4CCC[C@@H]43)cc2)n1 ZINC000253551449 285111025 /nfs/dbraw/zinc/11/10/25/285111025.db2.gz NPFKJMYPZOVLOS-FOLVSLTJSA-N -1 3 309.369 3.142 10 0 DGAEHM O=C(/C=C\c1cncc([O-])c1)N1CCCC[C@@H]1c1nccs1 ZINC000255722184 285176511 /nfs/dbraw/zinc/17/65/11/285176511.db2.gz USJPIEFSXJCWRQ-ZRUQZJFASA-N -1 3 315.398 3.011 10 0 DGAEHM CC(=O)Oc1ccc(/C=C/c2cc([O-])cc(OC(C)=O)c2)cc1 ZINC000033359886 257129844 /nfs/dbraw/zinc/12/98/44/257129844.db2.gz IUHAHFQLCDVRJQ-ONEGZZNKSA-N -1 3 312.321 3.413 10 0 DGAEHM CCc1noc(C)c1[N-]C(=O)c1sccc1OC(F)F ZINC000120993250 195276692 /nfs/dbraw/zinc/27/66/92/195276692.db2.gz DWSCFHVHIUGTKH-UHFFFAOYSA-N -1 3 302.302 3.461 10 0 DGAEHM Cc1ccc([C@@H](C)[N-]S(=O)(=O)c2cc(F)c(C)cc2F)o1 ZINC000121840632 195358598 /nfs/dbraw/zinc/35/85/98/195358598.db2.gz SCQNINTWDLVIII-SNVBAGLBSA-N -1 3 315.341 3.214 10 0 DGAEHM COc1ccc2nc(C(=O)Nc3ccc([O-])cc3F)ccc2c1 ZINC000183275726 533345184 /nfs/dbraw/zinc/34/51/84/533345184.db2.gz GWGHHVWXAUEAKL-UHFFFAOYSA-N -1 3 312.300 3.340 10 0 DGAEHM CSCC[C@@H](C)N(C)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000182759236 533592625 /nfs/dbraw/zinc/59/26/25/533592625.db2.gz VABLGFZZOOSLHM-GFCCVEGCSA-N -1 3 307.459 3.485 10 0 DGAEHM CCCN(C(=O)c1cccc([O-])c1)[C@H]1C[C@@H](OCC)C1(C)C ZINC000357312356 285710551 /nfs/dbraw/zinc/71/05/51/285710551.db2.gz PCWQUKZUYOWKEU-JKSUJKDBSA-N -1 3 305.418 3.448 10 0 DGAEHM O=C([O-])[C@H]1CCC[C@H](NCc2sccc2Br)C1 ZINC000070557654 400352998 /nfs/dbraw/zinc/35/29/98/400352998.db2.gz QIPTUSQFOMNAHD-IUCAKERBSA-N -1 3 318.236 3.244 10 0 DGAEHM COc1ccc([O-])c(-c2nc(N)nc3ccc(Cl)cc32)c1 ZINC000117405331 400417761 /nfs/dbraw/zinc/41/77/61/400417761.db2.gz PUZHVYFQENWFON-UHFFFAOYSA-N -1 3 301.733 3.247 10 0 DGAEHM CCOc1cc(C(=O)NCc2ccc([O-])c(F)c2)ccc1C ZINC000133176113 400567576 /nfs/dbraw/zinc/56/75/76/400567576.db2.gz NOKZWBHRXZWVNI-UHFFFAOYSA-N -1 3 303.333 3.168 10 0 DGAEHM CC(C)C[C@@H](C(=O)[O-])N(C)Cc1ccccc1Br ZINC000137240906 400595019 /nfs/dbraw/zinc/59/50/19/400595019.db2.gz FIHJIWHGHFJGCX-ZDUSSCGKSA-N -1 3 314.223 3.380 10 0 DGAEHM O=C([O-])C[C@H]1CCCN(Cc2ccccc2Br)C1 ZINC000054300343 400817831 /nfs/dbraw/zinc/81/78/31/400817831.db2.gz UOFQLHBCBVDYTH-LLVKDONJSA-N -1 3 312.207 3.136 10 0 DGAEHM CC(=O)c1ccc(C(=O)N(C)C[C@@H]2CCc3ccccc32)cc1[O-] ZINC000620689595 400946894 /nfs/dbraw/zinc/94/68/94/400946894.db2.gz FJHYVVAOVKAWCE-INIZCTEOSA-N -1 3 323.392 3.397 10 0 DGAEHM CC(=O)c1ccc(C(=O)N2CC(C)(C)[C@H]2c2ccco2)cc1[O-] ZINC000633796325 401111872 /nfs/dbraw/zinc/11/18/72/401111872.db2.gz MMBGDJMSZKTXOV-MRXNPFEDSA-N -1 3 313.353 3.411 10 0 DGAEHM Cc1cccc([C@](N)(C(=O)[O-])c2cccc(Br)c2)c1 ZINC000084752131 401156179 /nfs/dbraw/zinc/15/61/79/401156179.db2.gz GQMRITSSVOMIAU-OAHLLOKOSA-N -1 3 320.186 3.044 10 0 DGAEHM O=C([O-])[C@H]1CCC[C@@H](NCc2c(F)ccc(F)c2Cl)C1 ZINC000630461146 401272849 /nfs/dbraw/zinc/27/28/49/401272849.db2.gz AWDHLEMDDKZQQP-DTWKUNHWSA-N -1 3 303.736 3.351 10 0 DGAEHM CC(=O)c1ccc2c(c1)CCN(C(=O)c1c(C)cccc1[O-])CC2 ZINC000626267855 401332755 /nfs/dbraw/zinc/33/27/55/401332755.db2.gz XTFCJGPLFSYBIN-UHFFFAOYSA-N -1 3 323.392 3.144 10 0 DGAEHM O=C(N[C@@H]1CCC[C@H]2C[C@H]21)c1cc([O-])cc(Br)c1 ZINC000627965422 401506414 /nfs/dbraw/zinc/50/64/14/401506414.db2.gz SNRJAKRXJAACOK-ZEGGKSINSA-N -1 3 310.191 3.073 10 0 DGAEHM CC[C@](C)(NC(=O)c1cc([O-])cc(Br)c1)C1CC1 ZINC000628106020 401524900 /nfs/dbraw/zinc/52/49/00/401524900.db2.gz UMJMVBVPEDLOOA-AWEZNQCLSA-N -1 3 312.207 3.463 10 0 DGAEHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCCC(F)(F)C2)sc1C ZINC000358591868 286101889 /nfs/dbraw/zinc/10/18/89/286101889.db2.gz NCLIEMBCHIJKAM-SNVBAGLBSA-N -1 3 309.403 3.221 10 0 DGAEHM O=C(N[C@H](c1ccccc1)c1ccncc1)c1cccc([O-])c1 ZINC000182332120 164936824 /nfs/dbraw/zinc/93/68/24/164936824.db2.gz IQXHZDGJXBBBLS-GOSISDBHSA-N -1 3 304.349 3.307 10 0 DGAEHM O=C(N[C@H]1COc2ccccc21)c1cc([O-])ccc1C(F)(F)F ZINC000189284440 165155999 /nfs/dbraw/zinc/15/59/99/165155999.db2.gz HCTRSUSUHHFLOV-ZDUSSCGKSA-N -1 3 323.270 3.275 10 0 DGAEHM Cc1cc(=O)[n-]c([C@@H](C)N[C@H](C)c2ccccc2-n2cccn2)n1 ZINC000192733585 165304737 /nfs/dbraw/zinc/30/47/37/165304737.db2.gz UFUCGBSGPLYXNM-ZIAGYGMSSA-N -1 3 323.400 3.088 10 0 DGAEHM O=C(c1ccc2n[n-]nc2c1)N(Cc1ccco1)C1CCCC1 ZINC000195485648 165372366 /nfs/dbraw/zinc/37/23/66/165372366.db2.gz KNUHGMISNGOUFS-UHFFFAOYSA-N -1 3 310.357 3.136 10 0 DGAEHM Cc1cc(F)cc2c(=O)c(C(=O)N3CCCC34CCC4)c[n-]c12 ZINC000365224525 287111295 /nfs/dbraw/zinc/11/12/95/287111295.db2.gz XCLBTSLUSFWAJQ-UHFFFAOYSA-N -1 3 314.360 3.134 10 0 DGAEHM Cc1cc(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)c(C)o1 ZINC000128993210 196009994 /nfs/dbraw/zinc/00/99/94/196009994.db2.gz JCBAJZBRGZAMJL-UHFFFAOYSA-N -1 3 323.352 3.207 10 0 DGAEHM CC(C)c1ccc(C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)c([O-])c1 ZINC000271429730 278027773 /nfs/dbraw/zinc/02/77/73/278027773.db2.gz PUXNJIFLGJBJEL-HNAYVOBHSA-N -1 3 317.429 3.283 10 0 DGAEHM CC(C)c1ccc(C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c([O-])c1 ZINC000271429729 278027842 /nfs/dbraw/zinc/02/78/42/278027842.db2.gz PUXNJIFLGJBJEL-DNVCBOLYSA-N -1 3 317.429 3.283 10 0 DGAEHM O=C([O-])[C@H]1CCC[C@@H](NCc2ccccc2Br)C1 ZINC000070571072 431251885 /nfs/dbraw/zinc/25/18/85/431251885.db2.gz COTSSZIRDVEMOS-CMPLNLGQSA-N -1 3 312.207 3.182 10 0 DGAEHM O=C([O-])c1ccc(NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000027525126 431690184 /nfs/dbraw/zinc/69/01/84/431690184.db2.gz HOZNXEBEVSTIHX-UHFFFAOYSA-N -1 3 310.397 3.461 10 0 DGAEHM COc1cc(C)c2c(c1)oc(-c1ccc([O-])cc1)c(OC)c2=O ZINC000027849502 431695292 /nfs/dbraw/zinc/69/52/92/431695292.db2.gz YDVWRZBDQQROKN-UHFFFAOYSA-N -1 3 312.321 3.491 10 0 DGAEHM Cc1nccn1-c1ccc([C@H](C)NC(=O)c2ccccc2[O-])cc1 ZINC000080595679 431771727 /nfs/dbraw/zinc/77/17/27/431771727.db2.gz LYCBXCZVVITIEC-ZDUSSCGKSA-N -1 3 321.380 3.377 10 0 DGAEHM C[C@H](CCC(=O)Nc1cc(-c2nccn2C)[n-]n1)c1ccccc1 ZINC000124196915 431886483 /nfs/dbraw/zinc/88/64/83/431886483.db2.gz POCBMEKUQYADQB-CYBMUJFWSA-N -1 3 323.400 3.333 10 0 DGAEHM C[C@H](CCC(=O)Nc1cc(-c2nccn2C)n[n-]1)c1ccccc1 ZINC000124196915 431886485 /nfs/dbraw/zinc/88/64/85/431886485.db2.gz POCBMEKUQYADQB-CYBMUJFWSA-N -1 3 323.400 3.333 10 0 DGAEHM C[C@@H](CCC(=O)Nc1cc(-c2nccn2C)[n-]n1)c1ccccc1 ZINC000124196689 431886595 /nfs/dbraw/zinc/88/65/95/431886595.db2.gz POCBMEKUQYADQB-ZDUSSCGKSA-N -1 3 323.400 3.333 10 0 DGAEHM C[C@@H](CCC(=O)Nc1cc(-c2nccn2C)n[n-]1)c1ccccc1 ZINC000124196689 431886597 /nfs/dbraw/zinc/88/65/97/431886597.db2.gz POCBMEKUQYADQB-ZDUSSCGKSA-N -1 3 323.400 3.333 10 0 DGAEHM Cc1cc(Cl)ccc1NCc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000090371134 431891203 /nfs/dbraw/zinc/89/12/03/431891203.db2.gz MPGJLELDLQQIQG-UHFFFAOYSA-N -1 3 317.698 3.363 10 0 DGAEHM CC1(C)CN(C(=O)c2ccc3c(c2[O-])CCCC3)CCS1 ZINC000183070862 281222172 /nfs/dbraw/zinc/22/21/72/281222172.db2.gz KVQLZNBJOKEJTP-UHFFFAOYSA-N -1 3 305.443 3.239 10 0 DGAEHM Cc1csc([C@@H]2CCCN(C(=O)c3ccc(C)cc3[O-])C2)n1 ZINC000173751309 432298019 /nfs/dbraw/zinc/29/80/19/432298019.db2.gz HJVRNYHTAKQIMT-CYBMUJFWSA-N -1 3 316.426 3.485 10 0 DGAEHM CCc1ccc([O-])c(C(=O)N(C)CCc2ncc(C)s2)c1 ZINC000152423766 432332255 /nfs/dbraw/zinc/33/22/55/432332255.db2.gz AZNJIWRGUGKFIE-UHFFFAOYSA-N -1 3 304.415 3.034 10 0 DGAEHM CC1(C)C[C@H](NC(=O)Cc2ccc([O-])cc2Cl)C(C)(C)O1 ZINC000183605126 432308073 /nfs/dbraw/zinc/30/80/73/432308073.db2.gz DPFZJIXCBYXUDO-ZDUSSCGKSA-N -1 3 311.809 3.050 10 0 DGAEHM COc1cccc(F)c1[C@@H](C)N[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000192738038 432407078 /nfs/dbraw/zinc/40/70/78/432407078.db2.gz IGLWNOAKUDKTBS-MNOVXSKESA-N -1 3 305.353 3.050 10 0 DGAEHM Cc1cc(F)cc2c(=O)c(C(=O)N3C[C@H](C)CC[C@H]3C)c[n-]c12 ZINC000155517269 432558704 /nfs/dbraw/zinc/55/87/04/432558704.db2.gz QSSOOPUBZHHSND-ZYHUDNBSSA-N -1 3 316.376 3.236 10 0 DGAEHM CC(=O)c1c(C)cc(C)c(CN([C@H](C)C(=O)[O-])C2CC2)c1C ZINC000263088116 432520399 /nfs/dbraw/zinc/52/03/99/432520399.db2.gz IPICTCIBRBMMML-CYBMUJFWSA-N -1 3 303.402 3.252 10 0 DGAEHM CCCC[C@@H](NC(=O)c1cccc([O-])c1)C(=O)OC(C)(C)C ZINC000155232152 432545881 /nfs/dbraw/zinc/54/58/81/432545881.db2.gz NQKAHDUTBBLXGI-CQSZACIVSA-N -1 3 307.390 3.023 10 0 DGAEHM CCC[C@H](C)NC(=O)[C@H]1CCCN(Cc2cc([O-])cc(F)c2)C1 ZINC000186203344 432568363 /nfs/dbraw/zinc/56/83/63/432568363.db2.gz LXROXGNAIMWZBS-ZFWWWQNUSA-N -1 3 322.424 3.048 10 0 DGAEHM CCn1ncc2ccc(NC(=O)c3cccc(OC)c3[O-])cc21 ZINC000195362503 432620579 /nfs/dbraw/zinc/62/05/79/432620579.db2.gz JLJGEESHAZLVGM-UHFFFAOYSA-N -1 3 311.341 3.023 10 0 DGAEHM Cc1cccc2[nH]cc(CC[N-]S(=O)(=O)c3cccs3)c21 ZINC000177731609 432655027 /nfs/dbraw/zinc/65/50/27/432655027.db2.gz VSJFFRHOTFVHOC-UHFFFAOYSA-N -1 3 320.439 3.059 10 0 DGAEHM COc1c(C)cc(CN(C)[C@H](C)c2nc(C)cc(=O)[n-]2)cc1C ZINC000177920973 432674074 /nfs/dbraw/zinc/67/40/74/432674074.db2.gz YVYMGHOLAPUDEZ-CQSZACIVSA-N -1 3 315.417 3.309 10 0 DGAEHM O=C(NCc1cscn1)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000188826740 432747396 /nfs/dbraw/zinc/74/73/96/432747396.db2.gz SCZNNYZRULYSOL-UHFFFAOYSA-N -1 3 324.818 3.178 10 0 DGAEHM C[C@@H]1CCCN(Cc2ccccc2Br)[C@@H]1C(=O)[O-] ZINC000235323909 432743104 /nfs/dbraw/zinc/74/31/04/432743104.db2.gz FFCBXNUTYBPNJT-MFKMUULPSA-N -1 3 312.207 3.134 10 0 DGAEHM O=C(Nc1nnc(-c2ccco2)[n-]1)[C@H]1C[C@H]1C1CCCCC1 ZINC000163522197 432854873 /nfs/dbraw/zinc/85/48/73/432854873.db2.gz UEYRMFCUYVETOV-RYUDHWBXSA-N -1 3 300.362 3.220 10 0 DGAEHM O=C(Nc1nc(-c2ccco2)n[n-]1)[C@H]1C[C@H]1C1CCCCC1 ZINC000163522197 432854876 /nfs/dbraw/zinc/85/48/76/432854876.db2.gz UEYRMFCUYVETOV-RYUDHWBXSA-N -1 3 300.362 3.220 10 0 DGAEHM O=C(Nc1n[n-]c(-c2ccco2)n1)[C@H]1C[C@H]1C1CCCCC1 ZINC000163522197 432854879 /nfs/dbraw/zinc/85/48/79/432854879.db2.gz UEYRMFCUYVETOV-RYUDHWBXSA-N -1 3 300.362 3.220 10 0 DGAEHM CC(=O)c1ccc(C(=O)N2CC[C@H](CC(F)(F)F)C2)cc1[O-] ZINC000412291937 433142533 /nfs/dbraw/zinc/14/25/33/433142533.db2.gz LIKHMTGHUDQZJI-SNVBAGLBSA-N -1 3 315.291 3.009 10 0 DGAEHM c1c[nH]c(-c2noc(-c3c[n-]nc3-c3cc4ccccc4o3)n2)n1 ZINC000351003639 433346176 /nfs/dbraw/zinc/34/61/76/433346176.db2.gz UPXUGDTUUNATLT-UHFFFAOYSA-N -1 3 318.296 3.263 10 0 DGAEHM CCc1ncnc(Sc2nnc(-c3cccs3)[n-]2)c1F ZINC000301909587 433791009 /nfs/dbraw/zinc/79/10/09/433791009.db2.gz FPFWUEBNPLRNDE-UHFFFAOYSA-N -1 3 307.379 3.176 10 0 DGAEHM CCc1ncnc(Sc2nc(-c3cccs3)n[n-]2)c1F ZINC000301909587 433791017 /nfs/dbraw/zinc/79/10/17/433791017.db2.gz FPFWUEBNPLRNDE-UHFFFAOYSA-N -1 3 307.379 3.176 10 0 DGAEHM CCc1ncnc(Sc2n[n-]c(-c3cccs3)n2)c1F ZINC000301909587 433791026 /nfs/dbraw/zinc/79/10/26/433791026.db2.gz FPFWUEBNPLRNDE-UHFFFAOYSA-N -1 3 307.379 3.176 10 0 DGAEHM O=C(N[C@H]1C[C@H]1c1c(F)cccc1Cl)c1cccc([O-])c1 ZINC000357313439 433946032 /nfs/dbraw/zinc/94/60/32/433946032.db2.gz PLWPJAMPMBQTHU-RISCZKNCSA-N -1 3 305.736 3.471 10 0 DGAEHM O=C(NCC1CCN(c2ccccc2)CC1)c1ccccc1[O-] ZINC000436795316 434114039 /nfs/dbraw/zinc/11/40/39/434114039.db2.gz QMOBLFRRIDIHOB-UHFFFAOYSA-N -1 3 310.397 3.039 10 0 DGAEHM CCc1ccc(C(=O)Nc2ccc3ccc(=O)n(C)c3c2)c([O-])c1 ZINC000436816353 434121777 /nfs/dbraw/zinc/12/17/77/434121777.db2.gz RUHYINVKKGFGPN-UHFFFAOYSA-N -1 3 322.364 3.059 10 0 DGAEHM Cc1ccc(C(=O)N2CC[C@H](C(F)(F)F)[C@@H]2C)c([O-])c1C ZINC000436992866 434198765 /nfs/dbraw/zinc/19/87/65/434198765.db2.gz XEMPPMWXPSTOCV-JQWIXIFHSA-N -1 3 301.308 3.422 10 0 DGAEHM O=C(CC/C=C/c1ccccc1)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000527208766 295083447 /nfs/dbraw/zinc/08/34/47/295083447.db2.gz XONZHDKIAACYKK-VCIFKONDSA-N -1 3 311.385 3.115 10 0 DGAEHM C[C@@H]1C[C@@H](C(=O)Nc2nnc(C(F)(F)F)[n-]2)CC(C)(C)C1 ZINC000183082893 297213047 /nfs/dbraw/zinc/21/30/47/297213047.db2.gz GBKIJRLPWVXZEJ-HTQZYQBOSA-N -1 3 304.316 3.224 10 0 DGAEHM C[C@@H]1C[C@@H](C(=O)Nc2nc(C(F)(F)F)n[n-]2)CC(C)(C)C1 ZINC000183082893 297213049 /nfs/dbraw/zinc/21/30/49/297213049.db2.gz GBKIJRLPWVXZEJ-HTQZYQBOSA-N -1 3 304.316 3.224 10 0 DGAEHM CCC[C@@]1(CO)CCN(Cc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC000573983305 434939819 /nfs/dbraw/zinc/93/98/19/434939819.db2.gz SHJCAAIKDQXHOU-MRXNPFEDSA-N -1 3 311.809 3.023 10 0 DGAEHM CCc1ccc([O-])c(I)c1OC(F)F ZINC000575655004 435038571 /nfs/dbraw/zinc/03/85/71/435038571.db2.gz JPWIZWUXZSAJPV-UHFFFAOYSA-N -1 3 314.069 3.161 10 0 DGAEHM CC(=O)c1cc([O-])cc(I)c1C(F)F ZINC000575670305 435042050 /nfs/dbraw/zinc/04/20/50/435042050.db2.gz ZKNBGGDZHBPZAB-UHFFFAOYSA-N -1 3 312.053 3.137 10 0 DGAEHM Cc1cc(C)n([C@H](C)C(=O)N2CC[C@H](C)c3cccc([O-])c32)n1 ZINC000186281246 301251730 /nfs/dbraw/zinc/25/17/30/301251730.db2.gz CCLRRYRFQMCHTN-SMDDNHRTSA-N -1 3 313.401 3.307 10 0 DGAEHM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1Cc1cn2cc(Cl)ccc2n1 ZINC000530180447 313335350 /nfs/dbraw/zinc/33/53/50/313335350.db2.gz ZWHMIKAIYGUSBO-QWRGUYRKSA-N -1 3 321.808 3.061 10 0 DGAEHM c1ccc([C@@H](CN=c2[n-]c(C3CCC3)no2)N2CCCC2)cc1 ZINC000574397268 315962246 /nfs/dbraw/zinc/96/22/46/315962246.db2.gz INYWBBGUDWNNTL-MRXNPFEDSA-N -1 3 312.417 3.008 10 0 DGAEHM O=C1NC(=O)C(c2ccc([C@@H]3CCCc4ccccc43)cc2)=C1[O-] ZINC000584619693 337370579 /nfs/dbraw/zinc/37/05/79/337370579.db2.gz KZUSXWIZWNEUQZ-INIZCTEOSA-N -1 3 319.360 3.080 10 0 DGAEHM CCC1CCC([N-]S(=O)(=O)c2sccc2OC)CC1 ZINC000155464669 500652124 /nfs/dbraw/zinc/65/21/24/500652124.db2.gz SUGNRJMWANWCLL-UHFFFAOYSA-N -1 3 303.449 3.004 10 0 DGAEHM C[C@H]1SCCN(C(=O)c2ccc3c(c2[O-])CCCC3)[C@H]1C ZINC000182732997 534133939 /nfs/dbraw/zinc/13/39/39/534133939.db2.gz PBSJMXWAWWJOOF-NWDGAFQWSA-N -1 3 305.443 3.237 10 0 DGAEHM CC(C)Oc1cccnc1C(=O)[N-]c1nnc(C(C)C)s1 ZINC000175547398 528267552 /nfs/dbraw/zinc/26/75/52/528267552.db2.gz HRABJPNOSNISEB-UHFFFAOYSA-N -1 3 306.391 3.096 10 0 DGAEHM CN(C)[C@@H](Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000153559394 546011152 /nfs/dbraw/zinc/01/11/52/546011152.db2.gz OHDRSKKFPLSEBT-HNNXBMFYSA-N -1 3 318.804 3.157 10 0 DGAEHM O=C(c1coc(Br)c1)N1CCCc2cccc([O-])c21 ZINC000155561168 546029042 /nfs/dbraw/zinc/02/90/42/546029042.db2.gz WUTQHVAFIOMMOP-UHFFFAOYSA-N -1 3 322.158 3.341 10 0 DGAEHM CC(C)(CO)CCCNC(=O)c1cc([O-])c2ccccc2c1 ZINC000472344121 546902683 /nfs/dbraw/zinc/90/26/83/546902683.db2.gz CDJKCIHRBMQTHJ-UHFFFAOYSA-N -1 3 301.386 3.074 10 0 DGAEHM O=C(N[C@H](CO)C1CCCCC1)c1cc([O-])c2ccccc2c1 ZINC000526921352 546968344 /nfs/dbraw/zinc/96/83/44/546968344.db2.gz CJQIMEHBXZNUTP-QGZVFWFLSA-N -1 3 313.397 3.216 10 0 DGAEHM CC[N-]S(=O)(=O)c1occc1-c1cscc1C(F)F ZINC000675055128 548148968 /nfs/dbraw/zinc/14/89/68/548148968.db2.gz NRKWICCFUZRFOI-UHFFFAOYSA-N -1 3 307.343 3.244 10 0 DGAEHM CC(=O)CCN(C)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000135172641 626914196 /nfs/dbraw/zinc/91/41/96/626914196.db2.gz CKHHVRCBOTUJRE-UHFFFAOYSA-N -1 3 311.381 3.034 10 0 DGAEHM CC(=O)CCN(C)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000135190674 626915331 /nfs/dbraw/zinc/91/53/31/626915331.db2.gz MXEWUGQYRUPYSW-UHFFFAOYSA-N -1 3 313.353 3.236 10 0 DGAEHM CC(C)(C)n1cc([N-]S(=O)(=O)/C=C/c2ccc(F)cc2)cn1 ZINC000176697546 655785710 /nfs/dbraw/zinc/78/57/10/655785710.db2.gz IKEQYIHZNMXWDD-CMDGGOBGSA-N -1 3 323.393 3.190 10 0 DGAEHM CO[C@@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CC[C@H]1C ZINC000251714595 656403237 /nfs/dbraw/zinc/40/32/37/656403237.db2.gz KRPAYIRSWIVPTF-MEBBXXQBSA-N -1 3 311.809 3.105 10 0 DGAEHM Cc1cc(S(=O)(=O)[N-]c2cccnc2Cl)c(C)s1 ZINC000032532008 659472058 /nfs/dbraw/zinc/47/20/58/659472058.db2.gz NJOOILXOLSADRG-UHFFFAOYSA-N -1 3 302.808 3.214 10 0 DGAEHM CC[C@H]([N-]S(=O)(=O)c1cnc(Cl)c(F)c1)C1CCCC1 ZINC000382767926 1177030567 /nfs/dbraw/zinc/03/05/67/1177030567.db2.gz ITBABBBSVTZGHY-LBPRGKRZSA-N -1 3 320.817 3.121 10 0 DGAEHM CC1(C)CCC[C@@H]([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)C1 ZINC000383770390 1197706598 /nfs/dbraw/zinc/70/65/98/1197706598.db2.gz QPSUZIDLNKYBDE-SECBINFHSA-N -1 3 320.817 3.121 10 0 DGAEHM CCCC1(C[N-]S(=O)(=O)c2cnc(Cl)c(F)c2)CCC1 ZINC000392095010 1197716623 /nfs/dbraw/zinc/71/66/23/1197716623.db2.gz ZVSITSHQKVMKKL-UHFFFAOYSA-N -1 3 320.817 3.123 10 0 DGAEHM CC(C)([N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)C1CCC1 ZINC000398089760 1197724212 /nfs/dbraw/zinc/72/42/12/1197724212.db2.gz XAQCXFYCQDRDMU-UHFFFAOYSA-N -1 3 323.245 3.245 10 0 DGAEHM C[C@@H]1CCCC[C@@]1(C)[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000308729832 1199705304 /nfs/dbraw/zinc/70/53/04/1199705304.db2.gz RUOSERJPAFPAPF-NOZJJQNGSA-N -1 3 320.817 3.121 10 0 DGAEHM C[C@@H]1[C@H](C(=O)[O-])CCCN1Cc1ccc(OC(F)F)c(F)c1 ZINC000263043499 1204334155 /nfs/dbraw/zinc/33/41/55/1204334155.db2.gz JJYCCFOAMIIDRE-MWLCHTKSSA-N -1 3 317.307 3.112 10 0 DGAEHM Cc1ccc(C=CCC(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1 ZINC000255555621 1087049673 /nfs/dbraw/zinc/04/96/73/1087049673.db2.gz CMAZIYGXNYLZEL-IHWYPQMZSA-N -1 3 310.279 3.174 10 0 DGAEHM Cc1ccc(C=CCC(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000255555621 1087049677 /nfs/dbraw/zinc/04/96/77/1087049677.db2.gz CMAZIYGXNYLZEL-IHWYPQMZSA-N -1 3 310.279 3.174 10 0 DGAEHM C[C@H]1CC[C@H](C)N(C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)C1 ZINC000408152235 290628181 /nfs/dbraw/zinc/62/81/81/290628181.db2.gz XYUMINURCMKYKZ-UWVGGRQHSA-N -1 3 320.339 3.067 10 0 DGAEHM CCc1cc(=O)c2cc(NC(=O)c3cccc(C)c3[O-])ccc2[nH]1 ZINC000183314442 529507416 /nfs/dbraw/zinc/50/74/16/529507416.db2.gz PNOAQOWDKZOWLB-UHFFFAOYSA-N -1 3 322.364 3.357 10 0 DGAEHM O=C(CCC(=O)c1ccc(F)c(F)c1)Nc1ccccc1[O-] ZINC000088281121 185244683 /nfs/dbraw/zinc/24/46/83/185244683.db2.gz HJRNPSCHVKCSCF-UHFFFAOYSA-N -1 3 305.280 3.272 10 0 DGAEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H]3CC=CCC3)cc2)n1 ZINC000068225155 190756069 /nfs/dbraw/zinc/75/60/69/190756069.db2.gz UZVZDUKBQHUFHX-CQSZACIVSA-N -1 3 309.369 3.040 10 0 DGAEHM CN(Cc1ccc(F)cc1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000163674133 432039175 /nfs/dbraw/zinc/03/91/75/432039175.db2.gz PESGXSRQKOSVFK-UHFFFAOYSA-N -1 3 306.312 3.012 10 0 DGAEHM COc1cc(C(=O)N2CCC(C(C)(C)C)CC2)cc(OC)c1[O-] ZINC000179350935 199020366 /nfs/dbraw/zinc/02/03/66/199020366.db2.gz YTYINWCGESSJIO-UHFFFAOYSA-N -1 3 321.417 3.308 10 0 DGAEHM CCc1cc(NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)ccc1C ZINC000180052036 432076918 /nfs/dbraw/zinc/07/69/18/432076918.db2.gz XSEKISSTORHGIZ-UHFFFAOYSA-N -1 3 323.352 3.085 10 0 DGAEHM CCc1ccc(C(=O)N2CCO[C@@H](c3cccs3)C2)c([O-])c1 ZINC000188364656 200234058 /nfs/dbraw/zinc/23/40/58/200234058.db2.gz UWUKFMPGUKRFHS-OAHLLOKOSA-N -1 3 317.410 3.230 10 0 DGAEHM Cc1ccc([O-])c(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000268527275 432101523 /nfs/dbraw/zinc/10/15/23/432101523.db2.gz HYOJTQDFQCZVNW-QGZVFWFLSA-N -1 3 324.424 3.047 10 0 DGAEHM COc1cc(NCc2nc(C)ccc2[O-])c(OC)cc1Cl ZINC000091993470 193137986 /nfs/dbraw/zinc/13/79/86/193137986.db2.gz JIXFWFOCMGOVPM-UHFFFAOYSA-N -1 3 308.765 3.378 10 0 DGAEHM CCc1nc2cc(NC(=O)c3cccc(OC)c3[O-])ccc2o1 ZINC000080393572 283896967 /nfs/dbraw/zinc/89/69/67/283896967.db2.gz JIEAVHKVHUIVQI-UHFFFAOYSA-N -1 3 312.325 3.357 10 0 DGAEHM COCc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2[O-])o1 ZINC000081458386 283918013 /nfs/dbraw/zinc/91/80/13/283918013.db2.gz PQFMVTYBHKZWOJ-UHFFFAOYSA-N -1 3 315.247 3.403 10 0 DGAEHM Cn1ccnc1-c1cc(NC(=O)CCCC2CCCC2)n[n-]1 ZINC000119278120 284139759 /nfs/dbraw/zinc/13/97/59/284139759.db2.gz TYMOXWSSUARZFP-UHFFFAOYSA-N -1 3 301.394 3.109 10 0 DGAEHM Cn1ccnc1-c1cc(NC(=O)CCCC2CCCC2)[n-]n1 ZINC000119278120 284139762 /nfs/dbraw/zinc/13/97/62/284139762.db2.gz TYMOXWSSUARZFP-UHFFFAOYSA-N -1 3 301.394 3.109 10 0 DGAEHM Cc1n[nH]c2cc([N-]S(=O)(=O)c3ccc(F)cc3C)ccc12 ZINC000093909428 193327038 /nfs/dbraw/zinc/32/70/38/193327038.db2.gz CASWCJGTSOKISB-UHFFFAOYSA-N -1 3 319.361 3.120 10 0 DGAEHM Cc1[nH]nc2cc([N-]S(=O)(=O)c3ccc(F)cc3C)ccc12 ZINC000093909428 193327040 /nfs/dbraw/zinc/32/70/40/193327040.db2.gz CASWCJGTSOKISB-UHFFFAOYSA-N -1 3 319.361 3.120 10 0 DGAEHM COc1cccc(C(=O)N2CCc3ccc(Cl)cc3C2)c1[O-] ZINC000122077004 284212567 /nfs/dbraw/zinc/21/25/67/284212567.db2.gz VHHHXZWQYIPTJZ-UHFFFAOYSA-N -1 3 317.772 3.253 10 0 DGAEHM CCc1cc(=O)[n-]c(CN2CC[C@H](C(F)(F)F)C(C)(C)C2)n1 ZINC000190213104 432131838 /nfs/dbraw/zinc/13/18/38/432131838.db2.gz RPZFVNNOJWTHBH-NSHDSACASA-N -1 3 317.355 3.155 10 0 DGAEHM COc1cccc(C(=O)Nc2cccc(-c3ncco3)c2)c1[O-] ZINC000150910588 284541348 /nfs/dbraw/zinc/54/13/48/284541348.db2.gz HYOQOPYQIRNNGA-UHFFFAOYSA-N -1 3 310.309 3.308 10 0 DGAEHM O=C(/C=C/c1cncc([O-])c1)N1CC=C(c2ccccc2)CC1 ZINC000181776721 432142708 /nfs/dbraw/zinc/14/27/08/432142708.db2.gz UNZNPDJQJATGRX-VOTSOKGWSA-N -1 3 306.365 3.116 10 0 DGAEHM COc1ccc2[n-]cc(C(=O)Nc3cc(C)cc(C)c3)c(=O)c2c1 ZINC000039962769 183025334 /nfs/dbraw/zinc/02/53/34/183025334.db2.gz MQYNJDWFDXLNHQ-UHFFFAOYSA-N -1 3 322.364 3.406 10 0 DGAEHM COc1ccc2[n-]cc(C(=O)Nc3ccc(C)cc3)c(=O)c2c1 ZINC000039962743 183025380 /nfs/dbraw/zinc/02/53/80/183025380.db2.gz XFZHGECYEUTMJB-UHFFFAOYSA-N -1 3 308.337 3.097 10 0 DGAEHM CCNc1ncnc([N-]c2nc3ccc(C)cc3s2)c1N ZINC000040707407 183121083 /nfs/dbraw/zinc/12/10/83/183121083.db2.gz SVYPQJYUJQSQCE-UHFFFAOYSA-N -1 3 300.391 3.152 10 0 DGAEHM Nc1c([N-]c2nccs2)ncnc1Nc1ccc(F)cc1 ZINC000040780803 183133240 /nfs/dbraw/zinc/13/32/40/183133240.db2.gz BTTIXVHQFXMCCY-UHFFFAOYSA-N -1 3 302.338 3.142 10 0 DGAEHM COc1ccc(-c2cc(=O)[n-]c(Nc3ccc(F)cc3)n2)cc1 ZINC000041595794 183207702 /nfs/dbraw/zinc/20/77/02/183207702.db2.gz RPTQZNGQKWZISX-UHFFFAOYSA-N -1 3 311.316 3.328 10 0 DGAEHM COCCN(CC(C)C)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000185000819 284753600 /nfs/dbraw/zinc/75/36/00/284753600.db2.gz ZSCVSCYIGTVWLL-UHFFFAOYSA-N -1 3 305.418 3.016 10 0 DGAEHM O=C([O-])C[C@H](c1ccccc1Br)N1CCCCC1 ZINC000057656287 184044604 /nfs/dbraw/zinc/04/46/04/184044604.db2.gz WLJGBECTOQZIFR-CYBMUJFWSA-N -1 3 312.207 3.451 10 0 DGAEHM O=c1cc(CSc2ccccc2)nc(NC2CCCC2)[n-]1 ZINC000058824171 184129143 /nfs/dbraw/zinc/12/91/43/184129143.db2.gz XRYOVDDXAUUCDC-UHFFFAOYSA-N -1 3 301.415 3.417 10 0 DGAEHM O=C(NC/C=C\c1ccccc1)NCc1ccc([O-])c(F)c1 ZINC000255501484 285159333 /nfs/dbraw/zinc/15/93/33/285159333.db2.gz CQMGBCMAOJZNKZ-DAXSKMNVSA-N -1 3 300.333 3.044 10 0 DGAEHM CC(=O)c1cnc([N-]C(=O)c2scnc2C(F)(F)F)s1 ZINC000342612366 254019011 /nfs/dbraw/zinc/01/90/11/254019011.db2.gz FRZZQPOSXSZPIF-UHFFFAOYSA-N -1 3 321.305 3.073 10 0 DGAEHM O=C(NC/C=C\c1ccccc1)c1c[n-]c2ccccc2c1=O ZINC000255908959 285187230 /nfs/dbraw/zinc/18/72/30/285187230.db2.gz OHWDXTQFTMKQIC-TWGQIWQCSA-N -1 3 304.349 3.384 10 0 DGAEHM C/C=C/c1ccc(OCC(=O)Nc2ccccc2[O-])c(OC)c1 ZINC000120450812 195169047 /nfs/dbraw/zinc/16/90/47/195169047.db2.gz FLUZQPVBUZRCFB-ZZXKWVIFSA-N -1 3 313.353 3.451 10 0 DGAEHM C=CC/N=C(/SCc1ccc(C(=O)[O-])cc1)N1CCCC1 ZINC000020161084 400187497 /nfs/dbraw/zinc/18/74/97/400187497.db2.gz OIKLHYLBBCNKFY-WUKNDPDISA-N -1 3 304.415 3.256 10 0 DGAEHM CCOC(=O)c1[n-]c(C)nc1NC(=O)C[C@H]1CCC[C@@H](C)C1 ZINC000610231327 400226231 /nfs/dbraw/zinc/22/62/31/400226231.db2.gz MJIHOUIYFSHRJI-PWSUYJOCSA-N -1 3 307.394 3.050 10 0 DGAEHM CCOC(=O)c1nc(C)[n-]c1NC(=O)C[C@H]1CCC[C@@H](C)C1 ZINC000610231327 400226236 /nfs/dbraw/zinc/22/62/36/400226236.db2.gz MJIHOUIYFSHRJI-PWSUYJOCSA-N -1 3 307.394 3.050 10 0 DGAEHM O=C([O-])c1ccccc1[C@@H]1COCCCN1Cc1ccccc1 ZINC000616648634 400192935 /nfs/dbraw/zinc/19/29/35/400192935.db2.gz STYQXPRDFXYZKC-SFHVURJKSA-N -1 3 311.381 3.348 10 0 DGAEHM O=C([O-])c1ccccc1[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000616652398 400193870 /nfs/dbraw/zinc/19/38/70/400193870.db2.gz WWIUXYWAPIHYKN-GOSISDBHSA-N -1 3 311.381 3.348 10 0 DGAEHM O=C([O-])c1ccc([C@@H]2CN(Cc3ccccc3)CCCO2)cc1 ZINC000616652883 400194199 /nfs/dbraw/zinc/19/41/99/400194199.db2.gz QPBTUXZAEISIOU-SFHVURJKSA-N -1 3 311.381 3.348 10 0 DGAEHM CC(C)OC(=O)[C@@H]1CCCN1C(=O)c1ccc(C(C)C)cc1[O-] ZINC000611281206 400372742 /nfs/dbraw/zinc/37/27/42/400372742.db2.gz HRAUOCNCMFBLIP-HNNXBMFYSA-N -1 3 319.401 3.072 10 0 DGAEHM O=S(=O)([N-]Cc1ccc(Cl)o1)c1ccc(Cl)s1 ZINC000074852662 400542408 /nfs/dbraw/zinc/54/24/08/400542408.db2.gz FEMWKWLYXNSUGZ-UHFFFAOYSA-N -1 3 312.199 3.126 10 0 DGAEHM CCc1cc(-c2nc(-c3ccc([O-])cc3OC)no2)cc(C)n1 ZINC000139617830 400610191 /nfs/dbraw/zinc/61/01/91/400610191.db2.gz UCCQKEAUUPUZPL-UHFFFAOYSA-N -1 3 311.341 3.384 10 0 DGAEHM COCCCCOc1cc(CN2CCCCC2)ccc1C(=O)[O-] ZINC000145273159 400645076 /nfs/dbraw/zinc/64/50/76/400645076.db2.gz JWRNLRCYCNRUNL-UHFFFAOYSA-N -1 3 321.417 3.176 10 0 DGAEHM CN(CCc1ccc(F)cc1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000163756654 400748784 /nfs/dbraw/zinc/74/87/84/400748784.db2.gz DBOUUFGKQYTALL-UHFFFAOYSA-N -1 3 320.339 3.055 10 0 DGAEHM [O-]c1ccc(/C=N/NC(=S)Nc2ccccc2)c(Cl)c1 ZINC000169513995 400759007 /nfs/dbraw/zinc/75/90/07/400759007.db2.gz XYKJRRQJMAONLH-CXUHLZMHSA-N -1 3 305.790 3.366 10 0 DGAEHM Cc1ccc(CCCC(=O)Nc2nnc(-c3ccco3)[n-]2)cc1 ZINC000079814739 400898192 /nfs/dbraw/zinc/89/81/92/400898192.db2.gz PQCRZWFYZRFKQJ-UHFFFAOYSA-N -1 3 310.357 3.335 10 0 DGAEHM Cc1ccc(CCCC(=O)Nc2nc(-c3ccco3)n[n-]2)cc1 ZINC000079814739 400898197 /nfs/dbraw/zinc/89/81/97/400898197.db2.gz PQCRZWFYZRFKQJ-UHFFFAOYSA-N -1 3 310.357 3.335 10 0 DGAEHM Cc1ccc(CCCC(=O)Nc2n[n-]c(-c3ccco3)n2)cc1 ZINC000079814739 400898202 /nfs/dbraw/zinc/89/82/02/400898202.db2.gz PQCRZWFYZRFKQJ-UHFFFAOYSA-N -1 3 310.357 3.335 10 0 DGAEHM CC(=O)c1ccc(C(=O)NCc2csc(C)c2C)cc1[O-] ZINC000633972481 401172947 /nfs/dbraw/zinc/17/29/47/401172947.db2.gz KZBWFFYZNWYPDF-UHFFFAOYSA-N -1 3 303.383 3.203 10 0 DGAEHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCc2ccc(O)cc2C1 ZINC000065617921 401274983 /nfs/dbraw/zinc/27/49/83/401274983.db2.gz PMCXPTLWTYJUJD-UHFFFAOYSA-N -1 3 323.392 3.175 10 0 DGAEHM COc1ccc(C(=O)N2CCC[C@]3(CC=CCC3)C2)c([O-])c1 ZINC000114557829 286275547 /nfs/dbraw/zinc/27/55/47/286275547.db2.gz UYPBAVFEFIQFQM-GOSISDBHSA-N -1 3 301.386 3.363 10 0 DGAEHM [O-]c1cncc(/C=C\c2nc(-c3ccc(F)c(F)c3)no2)c1 ZINC000359692077 286362004 /nfs/dbraw/zinc/36/20/04/286362004.db2.gz CSDAYWIGQBWTDA-RJRFIUFISA-N -1 3 301.252 3.286 10 0 DGAEHM CCc1ccc(C(=O)N2CCC(C3CCOCC3)CC2)c([O-])c1 ZINC000364383845 287020451 /nfs/dbraw/zinc/02/04/51/287020451.db2.gz NQHUNEADWUKGNM-UHFFFAOYSA-N -1 3 317.429 3.233 10 0 DGAEHM COc1cccc(C(=O)N2CCC[C@H]2c2csc(C)n2)c1[O-] ZINC000187079525 165075423 /nfs/dbraw/zinc/07/54/23/165075423.db2.gz YMGGATOFZZZLSD-ZDUSSCGKSA-N -1 3 318.398 3.143 10 0 DGAEHM O=C(Nc1ccc([O-])cc1F)c1csc(C(F)(F)F)n1 ZINC000193780871 165331928 /nfs/dbraw/zinc/33/19/28/165331928.db2.gz UUDBWXPOWGDDDJ-UHFFFAOYSA-N -1 3 306.240 3.259 10 0 DGAEHM O=C(c1cccc([O-])c1)N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000182326285 432177996 /nfs/dbraw/zinc/17/79/96/432177996.db2.gz WNIXPYXSFUWFSZ-OAHLLOKOSA-N -1 3 311.337 3.098 10 0 DGAEHM O=C(/C=C/c1cncc([O-])c1)N1CC=C(c2ccccc2F)CC1 ZINC000137347698 432174553 /nfs/dbraw/zinc/17/45/53/432174553.db2.gz WZDROVFXXSBYIZ-AATRIKPKSA-N -1 3 324.355 3.255 10 0 DGAEHM COc1ccc([C@H]2C[C@H](C)N(C(=O)c3cccc([O-])c3)C2)cc1 ZINC000182479007 432193662 /nfs/dbraw/zinc/19/36/62/432193662.db2.gz OOWJSVSMLHXCMN-BBRMVZONSA-N -1 3 311.381 3.419 10 0 DGAEHM COc1ccc([C@H]2C[C@@H](C)N(C(=O)c3cccc([O-])c3)C2)cc1 ZINC000182478995 432194257 /nfs/dbraw/zinc/19/42/57/432194257.db2.gz OOWJSVSMLHXCMN-CJNGLKHVSA-N -1 3 311.381 3.419 10 0 DGAEHM C[C@@H]1CN(C(=O)c2cccc([O-])c2)C[C@@H](c2ccc(F)cc2)O1 ZINC000182505120 432197605 /nfs/dbraw/zinc/19/76/05/432197605.db2.gz NYVFNKGOUQXXPW-PXAZEXFGSA-N -1 3 315.344 3.134 10 0 DGAEHM Cc1ccc([C@H](C)[N-]S(=O)(=O)c2c(F)cccc2Cl)o1 ZINC000131007827 196131881 /nfs/dbraw/zinc/13/18/81/196131881.db2.gz OMCJUZPCCQFULU-VIFPVBQESA-N -1 3 317.769 3.420 10 0 DGAEHM O=C(N[C@@H](c1ccccc1)C1CCOCC1)c1cccc([O-])c1 ZINC000368059183 271127692 /nfs/dbraw/zinc/12/76/92/271127692.db2.gz LINMAXGQRDPEEK-SFHVURJKSA-N -1 3 311.381 3.290 10 0 DGAEHM Cc1cccc([O-])c1NC(=O)c1cnc(-c2ccncc2)s1 ZINC000183039513 432252120 /nfs/dbraw/zinc/25/21/20/432252120.db2.gz XRDRSDMKCVWDRD-UHFFFAOYSA-N -1 3 311.366 3.471 10 0 DGAEHM O=S(=O)([N-]C[C@H]1C[C@H]1c1ccccc1)c1ccc(F)cc1F ZINC000111358139 431217612 /nfs/dbraw/zinc/21/76/12/431217612.db2.gz LQUTVBHZQVQQDQ-OCCSQVGLSA-N -1 3 323.364 3.047 10 0 DGAEHM CCCCCCS(=O)(=O)[N-]c1ccc(C(=O)OCC)cc1 ZINC000003089773 431282031 /nfs/dbraw/zinc/28/20/31/431282031.db2.gz MXLOIOBGVXVUCD-UHFFFAOYSA-N -1 3 313.419 3.185 10 0 DGAEHM Cc1cccc(C(=O)Nc2nc(-c3ccccn3)cs2)c1[O-] ZINC000006969768 431326631 /nfs/dbraw/zinc/32/66/31/431326631.db2.gz CRQGNRHIUVQGSI-UHFFFAOYSA-N -1 3 311.366 3.471 10 0 DGAEHM COc1cccc(C(=O)N2C[C@H](c3ccccc3)C[C@@H]2C)c1[O-] ZINC000115144488 431432872 /nfs/dbraw/zinc/43/28/72/431432872.db2.gz DBQJFXXOPURJPV-DZGCQCFKSA-N -1 3 311.381 3.419 10 0 DGAEHM CCCc1cc(NC(=O)c2c[n-]nc2-c2ccc(F)cc2)n[nH]1 ZINC000116976654 431542821 /nfs/dbraw/zinc/54/28/21/431542821.db2.gz PPYRSYGEWNILJI-UHFFFAOYSA-N -1 3 313.336 3.144 10 0 DGAEHM CCc1onc(C)c1[N-]C(=O)c1sc([C@H](C)OC)nc1C ZINC000089409626 431865012 /nfs/dbraw/zinc/86/50/12/431865012.db2.gz PIXFJKASKUNXKQ-VIFPVBQESA-N -1 3 309.391 3.270 10 0 DGAEHM C[C@@H]1C[C@@H](N(C)C(=O)c2cc3ccccc3cc2[O-])CCN1C ZINC000124514032 431895968 /nfs/dbraw/zinc/89/59/68/431895968.db2.gz PPYJBEFAZNPQSC-CJNGLKHVSA-N -1 3 312.413 3.100 10 0 DGAEHM Cc1cccc(C(=O)NCc2ccc(Br)cc2)c1[O-] ZINC000055385801 431980799 /nfs/dbraw/zinc/98/07/99/431980799.db2.gz LLTYJSXDVYLVNZ-UHFFFAOYSA-N -1 3 320.186 3.393 10 0 DGAEHM O=C(N[C@H]1CCc2cc(Cl)ccc21)c1ccc2n[n-]nc2c1 ZINC000055734483 431985428 /nfs/dbraw/zinc/98/54/28/431985428.db2.gz ZXMCZRJIZVNXOP-ZDUSSCGKSA-N -1 3 312.760 3.029 10 0 DGAEHM CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)Nc2ccccc2[O-])C1 ZINC000175085241 432395861 /nfs/dbraw/zinc/39/58/61/432395861.db2.gz GJXRUOVXBMTZOZ-RYUDHWBXSA-N -1 3 320.389 3.024 10 0 DGAEHM CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)Nc2ccccc2[O-])C1 ZINC000175085225 432396045 /nfs/dbraw/zinc/39/60/45/432396045.db2.gz GJXRUOVXBMTZOZ-NWDGAFQWSA-N -1 3 320.389 3.024 10 0 DGAEHM COc1cccc(C(=O)N(C)CCCCc2ccccc2)c1[O-] ZINC000193700784 432491285 /nfs/dbraw/zinc/49/12/85/432491285.db2.gz OVANEGKVEHRSLP-UHFFFAOYSA-N -1 3 313.397 3.496 10 0 DGAEHM CCN(CC)C(=O)C1(NCc2cc([O-])cc(F)c2)CCCCC1 ZINC000185513018 432506565 /nfs/dbraw/zinc/50/65/65/432506565.db2.gz DAARVNMVUAADLH-UHFFFAOYSA-N -1 3 322.424 3.192 10 0 DGAEHM O=C(NCc1nc2ccccc2n1C1CC1)c1cccc([O-])c1 ZINC000185103780 432467142 /nfs/dbraw/zinc/46/71/42/432467142.db2.gz OYJYPCKHIKCEKQ-UHFFFAOYSA-N -1 3 307.353 3.007 10 0 DGAEHM CC(C)c1cnc(CN2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])s1 ZINC000263512248 432552181 /nfs/dbraw/zinc/55/21/81/432552181.db2.gz NSDWHNCJPWIPHN-UPJWGTAASA-N -1 3 308.447 3.484 10 0 DGAEHM CC(C)(C)c1cc(CN2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])no1 ZINC000263580557 432558996 /nfs/dbraw/zinc/55/89/96/432558996.db2.gz WCAQZLXLLVSGFU-YUTCNCBUSA-N -1 3 306.406 3.190 10 0 DGAEHM CC[C@H]1CN(c2ccccc2)CCN1Cc1ccc(C(=O)[O-])cc1 ZINC000263417144 432543589 /nfs/dbraw/zinc/54/35/89/432543589.db2.gz NPMCWCRJIYSXER-SFHVURJKSA-N -1 3 324.424 3.486 10 0 DGAEHM Cc1nc(C2CC2)oc1C(=O)[N-]c1nnc(CC(C)C)s1 ZINC000273440404 432598104 /nfs/dbraw/zinc/59/81/04/432598104.db2.gz DABWSICATABWGB-UHFFFAOYSA-N -1 3 306.391 3.163 10 0 DGAEHM CO[C@H]1CN(Cc2cc([O-])ccc2Br)CC[C@H]1C ZINC000188309013 432718011 /nfs/dbraw/zinc/71/80/11/432718011.db2.gz TUPHXDQJXXBFPN-YGRLFVJLSA-N -1 3 314.223 3.012 10 0 DGAEHM C[C@H]1CCN(C(=O)c2cn3ccnc3s2)c2c([O-])cccc21 ZINC000188872731 432750619 /nfs/dbraw/zinc/75/06/19/432750619.db2.gz ASEFINBVTKOMHP-JTQLQIEISA-N -1 3 313.382 3.255 10 0 DGAEHM COc1ccc(F)c([N-]C(=O)c2snnc2C(C)(C)C)c1 ZINC000189257648 432773758 /nfs/dbraw/zinc/77/37/58/432773758.db2.gz DPCQACQABCBHJW-UHFFFAOYSA-N -1 3 309.366 3.236 10 0 DGAEHM Cc1cc(C)c2[n-]cc(C(=O)N3CCCSCC3)c(=O)c2c1 ZINC000162263153 432818695 /nfs/dbraw/zinc/81/86/95/432818695.db2.gz FEYPHBNJYONBSM-UHFFFAOYSA-N -1 3 316.426 3.136 10 0 DGAEHM CC(=O)c1ccc(C(=O)[N-]c2cc(C3(C)CCCC3)on2)s1 ZINC000448413986 433410545 /nfs/dbraw/zinc/41/05/45/433410545.db2.gz LVLCRBQRXOQTJH-UHFFFAOYSA-N -1 3 318.398 4.023 10 0 DGAEHM CN(C)c1ccc(C2CCN(C(=O)c3cccc([O-])c3)CC2)cc1 ZINC000368376868 293121311 /nfs/dbraw/zinc/12/13/11/293121311.db2.gz JSKJTPOXJJHLPJ-UHFFFAOYSA-N -1 3 324.424 3.478 10 0 DGAEHM Cn1cccc1[C@@H]1CCCCN1C(=O)Cc1ccc([O-])c(F)c1 ZINC000450017840 433929292 /nfs/dbraw/zinc/92/92/92/433929292.db2.gz NCXZBVZVJPYZRM-INIZCTEOSA-N -1 3 316.376 3.166 10 0 DGAEHM O=C(NC[C@H]1CCC[C@@H](C(F)(F)F)C1)c1cccc([O-])c1 ZINC000357303646 433941633 /nfs/dbraw/zinc/94/16/33/433941633.db2.gz LIYWVHBUTUIGAJ-CMPLNLGQSA-N -1 3 301.308 3.491 10 0 DGAEHM CCC[C@H](CC(C)C)C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000450112880 433976554 /nfs/dbraw/zinc/97/65/54/433976554.db2.gz MZESNTFALGUVOK-CQSZACIVSA-N -1 3 315.421 3.191 10 0 DGAEHM CCC[C@H](CC(C)C)C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000450112880 433976563 /nfs/dbraw/zinc/97/65/63/433976563.db2.gz MZESNTFALGUVOK-CQSZACIVSA-N -1 3 315.421 3.191 10 0 DGAEHM CO[C@@H](c1ccccc1F)[C@@H](C)NC(=O)c1cccc([O-])c1 ZINC000357510944 434055647 /nfs/dbraw/zinc/05/56/47/434055647.db2.gz CXXXRVIPHGMQOY-BDJLRTHQSA-N -1 3 303.333 3.037 10 0 DGAEHM CCN(CC(=O)OC)C(=O)c1cc(C(C)C)cc(C(C)C)c1[O-] ZINC000436781270 434109041 /nfs/dbraw/zinc/10/90/41/434109041.db2.gz BKVIYKPDRKYACX-UHFFFAOYSA-N -1 3 321.417 3.274 10 0 DGAEHM CCc1ccc(C(=O)N[C@H](COC)c2ccc(F)cc2)c([O-])c1 ZINC000436834628 434126046 /nfs/dbraw/zinc/12/60/46/434126046.db2.gz PZOXPBULOCHVOJ-MRXNPFEDSA-N -1 3 317.360 3.211 10 0 DGAEHM CCc1ccc(C(=O)N2CC[C@@H](C(F)(F)F)[C@H]2C)c([O-])c1 ZINC000436988066 434193561 /nfs/dbraw/zinc/19/35/61/434193561.db2.gz JNZNIBXPMHVJIO-BXKDBHETSA-N -1 3 301.308 3.368 10 0 DGAEHM CC(=O)c1[n-]c(=NC[C@H]2CC[C@H](c3ccccc3)O2)sc1C ZINC000450533593 434250556 /nfs/dbraw/zinc/25/05/56/434250556.db2.gz VTTRYUGUYGCWSE-HUUCEWRRSA-N -1 3 316.426 3.408 10 0 DGAEHM C[C@H]1CCN(C(=O)C[C@@H]2CCCCNC2=O)c2c([O-])cccc21 ZINC000329810540 434482103 /nfs/dbraw/zinc/48/21/03/434482103.db2.gz BOTUOEWVOSAZEW-STQMWFEESA-N -1 3 316.401 3.379 10 0 DGAEHM CCN(Cc1cc([O-])ccc1Br)[C@@H]1CCCOC1 ZINC000402785457 434501309 /nfs/dbraw/zinc/50/13/09/434501309.db2.gz YUWKZUHBDKOKQH-GFCCVEGCSA-N -1 3 314.223 3.156 10 0 DGAEHM Cc1c2ccccc2oc1C[N-]S(=O)(=O)c1ccccc1F ZINC000360067476 434501585 /nfs/dbraw/zinc/50/15/85/434501585.db2.gz AEFDCIXZHMXOIM-UHFFFAOYSA-N -1 3 319.357 3.359 10 0 DGAEHM CCN(Cc1cccc([O-])c1Br)[C@@H]1CCCOC1 ZINC000402776609 434502660 /nfs/dbraw/zinc/50/26/60/434502660.db2.gz VZSNWGMEWJDGLC-GFCCVEGCSA-N -1 3 314.223 3.156 10 0 DGAEHM [O-]c1ccccc1-c1nc(CSC2(CO)CCCCC2)no1 ZINC000451057736 434549603 /nfs/dbraw/zinc/54/96/03/434549603.db2.gz RBEPVGCQDIIUKI-UHFFFAOYSA-N -1 3 320.414 3.371 10 0 DGAEHM C[C@H](CC1CCCCC1)C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000527499613 295099333 /nfs/dbraw/zinc/09/93/33/295099333.db2.gz MZGPRIXNSYLFGO-IUODEOHRSA-N -1 3 305.422 3.228 10 0 DGAEHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCCCC(C)(C)C2)c1 ZINC000408417691 434573761 /nfs/dbraw/zinc/57/37/61/434573761.db2.gz SCXGANQFSIXMEX-UHFFFAOYSA-N -1 3 304.390 3.003 10 0 DGAEHM O=C(N=c1cc2ccccn2[n-]1)c1cc(Cl)sc1Cl ZINC000552995823 434875244 /nfs/dbraw/zinc/87/52/44/434875244.db2.gz VLYNSIIZKLUDJO-UHFFFAOYSA-N -1 3 312.181 3.377 10 0 DGAEHM O=S(=O)([N-]CCCC1CC1)c1ccc(Cl)c(Cl)c1 ZINC000522968028 434937118 /nfs/dbraw/zinc/93/71/18/434937118.db2.gz YQFQQMATTYHPNM-UHFFFAOYSA-N -1 3 308.230 3.462 10 0 DGAEHM CCc1c(I)c([O-])ccc1OC(F)F ZINC000575656255 435039274 /nfs/dbraw/zinc/03/92/74/435039274.db2.gz RWEXVTYFOAMOFV-UHFFFAOYSA-N -1 3 314.069 3.161 10 0 DGAEHM Cc1cc([O-])c(I)cc1Br ZINC000575693220 435045626 /nfs/dbraw/zinc/04/56/26/435045626.db2.gz NUQAQZMKRVURLQ-UHFFFAOYSA-N -1 3 312.932 3.068 10 0 DGAEHM Cc1noc([C@H]2CCCN2C(=O)c2cc([O-])c3ccccc3c2)n1 ZINC000561468551 435218746 /nfs/dbraw/zinc/21/87/46/435218746.db2.gz XTGBVQLQVRLHTF-OAHLLOKOSA-N -1 3 323.352 3.214 10 0 DGAEHM C[C@@H](NCc1cc([O-])ccc1Br)c1cscn1 ZINC000568276016 435418999 /nfs/dbraw/zinc/41/89/99/435418999.db2.gz DDUJWCJDZCLAAI-MRVPVSSYSA-N -1 3 313.220 3.462 10 0 DGAEHM C[C@H]1CC[C@H](C)N(C(=O)c2cc([O-])cc(Br)c2)C1 ZINC000528709482 313063743 /nfs/dbraw/zinc/06/37/43/313063743.db2.gz XLRXKCVSXVAKJY-UWVGGRQHSA-N -1 3 312.207 3.415 10 0 DGAEHM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1Cc1ncc(-c2ccccc2)o1 ZINC000530180330 313335116 /nfs/dbraw/zinc/33/51/16/313335116.db2.gz XSVSFGBKWQPMBW-AGGWBTHJSA-N -1 3 314.385 3.415 10 0 DGAEHM CC(C)Oc1ccc(F)cc1NC(=O)c1cccc2nn[n-]c21 ZINC000183551529 323341795 /nfs/dbraw/zinc/34/17/95/323341795.db2.gz QZLTYKOJHSIMCF-UHFFFAOYSA-N -1 3 314.320 3.137 10 0 DGAEHM CC(C)Oc1ccc(F)cc1NC(=O)c1cccc2[n-]nnc21 ZINC000183551529 323341797 /nfs/dbraw/zinc/34/17/97/323341797.db2.gz QZLTYKOJHSIMCF-UHFFFAOYSA-N -1 3 314.320 3.137 10 0 DGAEHM CC(C)Oc1ccc(F)cc1NC(=O)c1cccc2n[n-]nc21 ZINC000183551529 323341802 /nfs/dbraw/zinc/34/18/02/323341802.db2.gz QZLTYKOJHSIMCF-UHFFFAOYSA-N -1 3 314.320 3.137 10 0 DGAEHM COC(=O)c1cc(C(=O)C[C@@](C)(O)CCC=C(C)C)ccc1[O-] ZINC000584652957 337381147 /nfs/dbraw/zinc/38/11/47/337381147.db2.gz YGDUITRJVSCYTJ-SFHVURJKSA-N -1 3 320.385 3.249 10 0 DGAEHM CC(C)(C)c1cc(=O)[n-]c(-c2ccc(Br)cc2)n1 ZINC000036755058 337867510 /nfs/dbraw/zinc/86/75/10/337867510.db2.gz CUIYRWZMHUVKKL-UHFFFAOYSA-N -1 3 307.191 3.497 10 0 DGAEHM CO[C@H]1CC[C@@H](NC(=O)CCc2ccc3ccccc3c2[O-])C1 ZINC000451109757 536759497 /nfs/dbraw/zinc/75/94/97/536759497.db2.gz OPNVZKNMYJJSID-CVEARBPZSA-N -1 3 313.397 3.162 10 0 DGAEHM O=C(NCc1cccc2c1OCO2)c1cc([O-])c2ccccc2c1 ZINC000471782749 546901336 /nfs/dbraw/zinc/90/13/36/546901336.db2.gz UGQBPBIQUOMZDM-UHFFFAOYSA-N -1 3 321.332 3.204 10 0 DGAEHM Cc1n[n-]c2cc(Br)c(Br)cc2c1=O ZINC000667366226 547161791 /nfs/dbraw/zinc/16/17/91/547161791.db2.gz KNBYISDCBMQJRE-UHFFFAOYSA-N -1 3 317.968 3.169 10 0 DGAEHM O=C(OCc1cc(=O)c([O-])co1)c1cc(Cl)sc1Cl ZINC000735965211 574723844 /nfs/dbraw/zinc/72/38/44/574723844.db2.gz OOLFIWXOWDUBEM-UHFFFAOYSA-N -1 3 321.137 3.071 10 0 DGAEHM Cc1n[nH]c(C)c1[N-]S(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000036736309 661199756 /nfs/dbraw/zinc/19/97/56/661199756.db2.gz HYKXPRLDXDBJPS-BQYQJAHWSA-N -1 3 311.794 3.093 10 0 DGAEHM Cc1ccc(CC(=O)[N-]O[C@@H](C)c2nc(C(C)(C)C)no2)cc1 ZINC000178160685 655956478 /nfs/dbraw/zinc/95/64/78/655956478.db2.gz JNDMCDUBTCIDOD-LBPRGKRZSA-N -1 3 317.389 3.027 10 0 DGAEHM CC[C@@H](c1ccc(F)cc1)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000263106899 658135847 /nfs/dbraw/zinc/13/58/47/658135847.db2.gz ZYAXHEMWYAPMDO-UPJWGTAASA-N -1 3 319.298 3.472 10 0 DGAEHM CC1(NCc2cccc([O-])c2Br)CC(F)(F)C1 ZINC000720949056 658244805 /nfs/dbraw/zinc/24/48/05/658244805.db2.gz IGGPSKQNZRTHNH-UHFFFAOYSA-N -1 3 306.150 3.432 10 0 DGAEHM CCc1cc(NC(=O)NN=c2ccc(Cl)n[n-]2)ccc1C ZINC000182019987 660030175 /nfs/dbraw/zinc/03/01/75/660030175.db2.gz MHDXUNSSLUOAHO-UHFFFAOYSA-N -1 3 305.769 3.149 10 0 DGAEHM O=C(NNc1cc(Cl)ccn1)c1ccc2c(c1[O-])CCCC2 ZINC000184481942 660169749 /nfs/dbraw/zinc/16/97/49/660169749.db2.gz MQZAMKFLJKSNJL-UHFFFAOYSA-N -1 3 317.776 3.076 10 0 DGAEHM COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1cccc(Cl)c1[O-] ZINC000245864206 662242957 /nfs/dbraw/zinc/24/29/57/662242957.db2.gz JKVDQHVYHQISBL-GLQYFDAESA-N -1 3 323.820 3.352 10 0 DGAEHM CCc1ccc([O-])c(C(=O)Nc2cccc(N(C)C(C)=O)c2)c1 ZINC000091991731 662325618 /nfs/dbraw/zinc/32/56/18/662325618.db2.gz OGFGYBBHHPCLNN-UHFFFAOYSA-N -1 3 312.369 3.190 10 0 DGAEHM CC[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)C1 ZINC000383900608 1177071864 /nfs/dbraw/zinc/07/18/64/1177071864.db2.gz MKBMQUYNXJBJIH-UWVGGRQHSA-N -1 3 320.817 3.121 10 0 DGAEHM C[C@H]1CCCC[C@]1(C)[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000308729838 1199705295 /nfs/dbraw/zinc/70/52/95/1199705295.db2.gz RUOSERJPAFPAPF-ZANVPECISA-N -1 3 320.817 3.121 10 0 DGAEHM CCC1(C[N-]S(=O)(=O)c2cnc(Cl)c(F)c2)CCCC1 ZINC000312447192 1199752561 /nfs/dbraw/zinc/75/25/61/1199752561.db2.gz VOXMJVFTBASVCV-UHFFFAOYSA-N -1 3 320.817 3.123 10 0 DGAEHM CC1(C)CCCC[C@H]1[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000312874945 1199757304 /nfs/dbraw/zinc/75/73/04/1199757304.db2.gz ZETUVZXFNWQLBB-LLVKDONJSA-N -1 3 320.817 3.121 10 0 DGAEHM C[C@@H]1CC[C@H](C[N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)C1 ZINC000230415991 1202598008 /nfs/dbraw/zinc/59/80/08/1202598008.db2.gz FTYBGTVWXDITJG-BDAKNGLRSA-N -1 3 323.245 3.103 10 0 DGAEHM O=C([O-])CCN(Cc1ccccc1)Cc1cccc2c1OCC2 ZINC000693107362 976591452 /nfs/dbraw/zinc/59/14/52/976591452.db2.gz PGWQAZDSIYUQSL-UHFFFAOYSA-N -1 3 311.381 3.098 10 0 DGAEHM O=c1cc(C(F)(F)F)nc(CNc2ccccc2Cl)[n-]1 ZINC000090371010 185293109 /nfs/dbraw/zinc/29/31/09/185293109.db2.gz BSVATOXZJREEMW-UHFFFAOYSA-N -1 3 303.671 3.054 10 0 DGAEHM COc1ccc([O-])c(C(=O)N2CCCC[C@@H]2c2nccs2)c1 ZINC000173381101 198208187 /nfs/dbraw/zinc/20/81/87/198208187.db2.gz CRLVOPFKCOZTCI-CYBMUJFWSA-N -1 3 318.398 3.225 10 0 DGAEHM CCc1csc([C@@H]2CCCN(C(=O)c3cccc([O-])c3)C2)n1 ZINC000182442027 199439914 /nfs/dbraw/zinc/43/99/14/199439914.db2.gz WPUMKXAMJMJQIC-CYBMUJFWSA-N -1 3 316.426 3.431 10 0 DGAEHM Cc1cc(=O)[n-]c([C@H](C)Sc2ccc(C(F)(F)F)nn2)n1 ZINC000186925087 200032253 /nfs/dbraw/zinc/03/22/53/200032253.db2.gz BPAZKCQUGCTBDK-ZETCQYMHSA-N -1 3 316.308 3.153 10 0 DGAEHM O=S(=O)([N-][C@@H]1C[C@H]1c1ccc2ccccc2c1)c1ccccn1 ZINC000435422063 238303796 /nfs/dbraw/zinc/30/37/96/238303796.db2.gz MEOCRCMKCOUXPD-DLBZAZTESA-N -1 3 324.405 3.069 10 0 DGAEHM C[C@H]1SCCN(C(=O)c2ccc3c(c2[O-])CCCC3)[C@@H]1C ZINC000182732978 291257870 /nfs/dbraw/zinc/25/78/70/291257870.db2.gz PBSJMXWAWWJOOF-VXGBXAGGSA-N -1 3 305.443 3.237 10 0 DGAEHM Cc1ccc([C@H]2CCCCN2CCC[N-]C(=O)C(F)(F)F)o1 ZINC000091581480 193075454 /nfs/dbraw/zinc/07/54/54/193075454.db2.gz DLTNPSBIKUVYSQ-GFCCVEGCSA-N -1 3 318.339 3.184 10 0 DGAEHM COc1cc(CNc2ccc(C)nc2)cc(Br)c1[O-] ZINC000128060469 284362551 /nfs/dbraw/zinc/36/25/51/284362551.db2.gz ILNGPOQGBSJOBD-UHFFFAOYSA-N -1 3 323.190 3.479 10 0 DGAEHM COc1cccc([C@@H]2C[C@@H]2C(=O)Nc2cccc([O-])c2F)c1 ZINC000129345141 284406544 /nfs/dbraw/zinc/40/65/44/284406544.db2.gz WJHBHZHUMWWJMF-STQMWFEESA-N -1 3 301.317 3.282 10 0 DGAEHM O=C(c1c[n-]c2c(cccc2C(F)(F)F)c1=O)N1CCCCC1 ZINC000040176978 183044315 /nfs/dbraw/zinc/04/43/15/183044315.db2.gz DELUXHYPNQYGIL-UHFFFAOYSA-N -1 3 324.302 3.173 10 0 DGAEHM O=C(c1cnc2c(cccc2C(F)(F)F)c1[O-])N1CCCCC1 ZINC000040176978 183044320 /nfs/dbraw/zinc/04/43/20/183044320.db2.gz DELUXHYPNQYGIL-UHFFFAOYSA-N -1 3 324.302 3.173 10 0 DGAEHM CC(=O)c1ccc(NC(=O)c2cnc3c(F)cccc3c2[O-])cc1 ZINC000041055616 183159885 /nfs/dbraw/zinc/15/98/85/183159885.db2.gz BGXYQHLWAHZTEY-UHFFFAOYSA-N -1 3 324.311 3.122 10 0 DGAEHM Cc1cccc(NC(=O)c2c[n-]c3cc(Cl)ccc3c2=O)n1 ZINC000041056049 183160372 /nfs/dbraw/zinc/16/03/72/183160372.db2.gz FIGJJKGVXISDRC-UHFFFAOYSA-N -1 3 313.744 3.137 10 0 DGAEHM Cc1cccc(NC(=O)c2cnc3cc(Cl)ccc3c2[O-])n1 ZINC000041056049 183160374 /nfs/dbraw/zinc/16/03/74/183160374.db2.gz FIGJJKGVXISDRC-UHFFFAOYSA-N -1 3 313.744 3.137 10 0 DGAEHM Cc1ccc([C@@H](C)[N-]S(=O)(=O)c2cc(F)c(F)cc2F)o1 ZINC000105616139 194114582 /nfs/dbraw/zinc/11/45/82/194114582.db2.gz LWZYASULIVJHDA-MRVPVSSYSA-N -1 3 319.304 3.045 10 0 DGAEHM CCc1ccc(S(=O)(=O)[N-]c2c(F)cccc2F)s1 ZINC000048652819 183674134 /nfs/dbraw/zinc/67/41/34/183674134.db2.gz ZLRHWJVBHNVUJS-UHFFFAOYSA-N -1 3 303.355 3.390 10 0 DGAEHM O=C(NC[C@H]1C[C@@H]1c1ccccc1)c1c[n-]c2ccccc2c1=O ZINC000111047826 194387162 /nfs/dbraw/zinc/38/71/62/194387162.db2.gz HOHHDCSCFXXDJW-GDBMZVCRSA-N -1 3 318.376 3.062 10 0 DGAEHM COc1cc(CNC2(C(F)F)CC2)cc(Br)c1[O-] ZINC000337281568 253077828 /nfs/dbraw/zinc/07/78/28/253077828.db2.gz HXESVQFGHHHODQ-UHFFFAOYSA-N -1 3 322.149 3.051 10 0 DGAEHM CCOC(=O)c1[n-]c(C)nc1NC(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000610231217 400226089 /nfs/dbraw/zinc/22/60/89/400226089.db2.gz DADUJBHLUARFFW-STQMWFEESA-N -1 3 319.405 3.050 10 0 DGAEHM CCOC(=O)c1nc(C)[n-]c1NC(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000610231217 400226092 /nfs/dbraw/zinc/22/60/92/400226092.db2.gz DADUJBHLUARFFW-STQMWFEESA-N -1 3 319.405 3.050 10 0 DGAEHM Cn1ccnc1-c1cc(NC(=O)CCC2CCCCC2)n[n-]1 ZINC000119902169 400440836 /nfs/dbraw/zinc/44/08/36/400440836.db2.gz GVCDHVWTKKTJKT-UHFFFAOYSA-N -1 3 301.394 3.109 10 0 DGAEHM Cn1ccnc1-c1cc(NC(=O)CCC2CCCCC2)[n-]n1 ZINC000119902169 400440841 /nfs/dbraw/zinc/44/08/41/400440841.db2.gz GVCDHVWTKKTJKT-UHFFFAOYSA-N -1 3 301.394 3.109 10 0 DGAEHM CCOC(=O)c1cc(C(F)(F)F)cc(Br)c1[O-] ZINC000044201069 400486026 /nfs/dbraw/zinc/48/60/26/400486026.db2.gz NGULMNPSOYPFMV-UHFFFAOYSA-N -1 3 313.069 3.350 10 0 DGAEHM Cc1ccccc1SCC(=O)NCc1ccc([O-])c(F)c1 ZINC000132868871 400563487 /nfs/dbraw/zinc/56/34/87/400563487.db2.gz UYGYZOLPRXORBQ-UHFFFAOYSA-N -1 3 305.374 3.248 10 0 DGAEHM CCc1cc(NC(=O)c2c[n-]nc2-c2ccc(Cl)cc2)n[nH]1 ZINC000076428153 400654318 /nfs/dbraw/zinc/65/43/18/400654318.db2.gz MROTYJNXLWTGJJ-UHFFFAOYSA-N -1 3 315.764 3.268 10 0 DGAEHM C[C@H](CNC(=O)c1cc([O-])cc(Br)c1)CC(F)F ZINC000627908977 401500507 /nfs/dbraw/zinc/50/05/07/401500507.db2.gz NFAIGUKZJBEWKY-ZETCQYMHSA-N -1 3 322.149 3.176 10 0 DGAEHM CC(=O)Nc1cccc2c1CCN(Cc1cc([O-])cc(F)c1)C2 ZINC000186194423 165032284 /nfs/dbraw/zinc/03/22/84/165032284.db2.gz QRDXKKFHZMDPRP-UHFFFAOYSA-N -1 3 314.360 3.048 10 0 DGAEHM COC[C@H]1CCCCN(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000365562902 287146698 /nfs/dbraw/zinc/14/66/98/287146698.db2.gz RVBMYZGQNFZFER-AWEZNQCLSA-N -1 3 313.397 3.434 10 0 DGAEHM COC[C@@H]1CCCCN(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000365562903 287146802 /nfs/dbraw/zinc/14/68/02/287146802.db2.gz RVBMYZGQNFZFER-CQSZACIVSA-N -1 3 313.397 3.434 10 0 DGAEHM CCO[C@@H]1C[C@H](N(C)C(=O)c2cccc([O-])c2)C12CCCC2 ZINC000182494377 432195898 /nfs/dbraw/zinc/19/58/98/432195898.db2.gz LQGNMUXOXCZIHR-JKSUJKDBSA-N -1 3 303.402 3.202 10 0 DGAEHM COc1cccc(C(=O)N2CCC[C@H]2c2cccc(C)n2)c1[O-] ZINC000151000167 432209726 /nfs/dbraw/zinc/20/97/26/432209726.db2.gz HSCLZPPXSMIXFX-HNNXBMFYSA-N -1 3 312.369 3.082 10 0 DGAEHM COc1cccc([C@@H]2C[C@@H]2C(=O)N2CCCc3cccc([O-])c32)c1 ZINC000182915885 432242173 /nfs/dbraw/zinc/24/21/73/432242173.db2.gz RVMWGQFXBCNPRS-IRXDYDNUSA-N -1 3 323.392 3.484 10 0 DGAEHM C[C@H]1C[C@H](C(=O)Nc2nnc(C(F)(F)F)[n-]2)CC(C)(C)C1 ZINC000183082872 432255600 /nfs/dbraw/zinc/25/56/00/432255600.db2.gz GBKIJRLPWVXZEJ-YUMQZZPRSA-N -1 3 304.316 3.224 10 0 DGAEHM C[C@H]1C[C@H](C(=O)Nc2nc(C(F)(F)F)n[n-]2)CC(C)(C)C1 ZINC000183082872 432255601 /nfs/dbraw/zinc/25/56/01/432255601.db2.gz GBKIJRLPWVXZEJ-YUMQZZPRSA-N -1 3 304.316 3.224 10 0 DGAEHM CCc1oc(C(=O)[N-]c2nnc(C(F)(F)F)s2)cc1C ZINC000120359828 276706783 /nfs/dbraw/zinc/70/67/83/276706783.db2.gz FGDCTBGUKUVGRR-UHFFFAOYSA-N -1 3 305.281 3.273 10 0 DGAEHM Cc1ccc(C(=O)N2CC3(CCOCC3)c3ccccc32)c([O-])c1 ZINC000189801088 278783263 /nfs/dbraw/zinc/78/32/63/278783263.db2.gz DULXEMOUAWNZIZ-UHFFFAOYSA-N -1 3 323.392 3.409 10 0 DGAEHM Cc1ccc([C@@H]2CC(c3ccccc3[O-])=Nc3ncnn32)cc1 ZINC000111927325 431243404 /nfs/dbraw/zinc/24/34/04/431243404.db2.gz WRRDTPZXAUXWSC-INIZCTEOSA-N -1 3 304.353 3.348 10 0 DGAEHM Cc1[nH]c2ccc(C(=O)[O-])cc2c(=O)c1CN1CCC[C@@H](C)C1 ZINC000008713944 431405506 /nfs/dbraw/zinc/40/55/06/431405506.db2.gz JCBFGSKUXVEKHY-LLVKDONJSA-N -1 3 314.385 3.179 10 0 DGAEHM Cn1ccnc1-c1cc(NC(=O)c2ccc3ccccc3c2)n[n-]1 ZINC000119593123 431709150 /nfs/dbraw/zinc/70/91/50/431709150.db2.gz NSINKCNSAAIDAV-UHFFFAOYSA-N -1 3 317.352 3.216 10 0 DGAEHM Cn1ccnc1-c1cc(NC(=O)c2ccc3ccccc3c2)[n-]n1 ZINC000119593123 431709158 /nfs/dbraw/zinc/70/91/58/431709158.db2.gz NSINKCNSAAIDAV-UHFFFAOYSA-N -1 3 317.352 3.216 10 0 DGAEHM CCc1cc(=O)[n-]c(CN2CC=C(c3cccs3)CC2)n1 ZINC000121231014 431756033 /nfs/dbraw/zinc/75/60/33/431756033.db2.gz XZNPTCQPGCXLOD-UHFFFAOYSA-N -1 3 301.415 3.095 10 0 DGAEHM Nc1cccc2c(S(=O)(=O)c3cccc4ccccc43)n[n-]c21 ZINC000089200845 431861113 /nfs/dbraw/zinc/86/11/13/431861113.db2.gz UYVARFITEBUXRF-UHFFFAOYSA-N -1 3 323.377 3.131 10 0 DGAEHM CC(C)c1csc(NC(=O)c2c[n-]c3ccccc3c2=O)n1 ZINC000053791986 431966384 /nfs/dbraw/zinc/96/63/84/431966384.db2.gz NPWIBUDICLCEPV-UHFFFAOYSA-N -1 3 313.382 3.360 10 0 DGAEHM CC(C)c1csc(NC(=O)c2cnc3ccccc3c2[O-])n1 ZINC000053791986 431966386 /nfs/dbraw/zinc/96/63/86/431966386.db2.gz NPWIBUDICLCEPV-UHFFFAOYSA-N -1 3 313.382 3.360 10 0 DGAEHM CC1(C)CN(C(=O)c2c([O-])cccc2O)CC[C@@H]1C(F)(F)F ZINC000191779466 281217438 /nfs/dbraw/zinc/21/74/38/281217438.db2.gz TUQSNVYDBDJJAE-NSHDSACASA-N -1 3 317.307 3.148 10 0 DGAEHM Cc1cccc(C(=O)N2CCC[C@@H]2c2noc(C(C)C)n2)c1[O-] ZINC000173754117 432297528 /nfs/dbraw/zinc/29/75/28/432297528.db2.gz LUUDUEZUQVUCDR-CYBMUJFWSA-N -1 3 315.373 3.184 10 0 DGAEHM CC[C@H]([N-]S(=O)(=O)c1cccc(F)c1C)c1nccs1 ZINC000173186498 432262786 /nfs/dbraw/zinc/26/27/86/432262786.db2.gz AIVAFWZNFCOYAM-NSHDSACASA-N -1 3 314.407 3.020 10 0 DGAEHM O=C(Nc1cc(F)ccc1[O-])c1c[nH]nc1-c1ccc(F)cc1 ZINC000174889974 432376872 /nfs/dbraw/zinc/37/68/72/432376872.db2.gz IJRXVPDGCGKNCG-UHFFFAOYSA-N -1 3 315.279 3.313 10 0 DGAEHM COc1ccc(Cl)cc1CN1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262249109 432479094 /nfs/dbraw/zinc/47/90/94/432479094.db2.gz ZAVHIEOILMOMMO-BLLLJJGKSA-N -1 3 309.793 3.035 10 0 DGAEHM CCc1cccc(F)c1CN1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000263518007 432551753 /nfs/dbraw/zinc/55/17/53/432551753.db2.gz POXSMALYHDPYAP-VXGBXAGGSA-N -1 3 319.298 3.083 10 0 DGAEHM CCC(C)(C)[C@@H]1CCCN1Cc1nc(=O)c2sccc2[n-]1 ZINC000156876869 432610738 /nfs/dbraw/zinc/61/07/38/432610738.db2.gz UHUOPHMETRUVDQ-LBPRGKRZSA-N -1 3 305.447 3.385 10 0 DGAEHM Cc1cc(F)cc2c(=O)c(C(=O)N[C@@H](C)C3CCCC3)c[n-]c12 ZINC000178373691 432727809 /nfs/dbraw/zinc/72/78/09/432727809.db2.gz KFJZMEYOJDHGKF-NSHDSACASA-N -1 3 316.376 3.284 10 0 DGAEHM C[C@H]([N-]c1nc2ccccc2o1)C(=O)N1CCc2ccccc21 ZINC000301162598 433437694 /nfs/dbraw/zinc/43/76/94/433437694.db2.gz HPSAKTHGFNRNKD-LBPRGKRZSA-N -1 3 307.353 3.218 10 0 DGAEHM CC1(C)[C@H](NC(=O)c2cc([O-])c3ccccc3c2)[C@H]2CCO[C@@H]21 ZINC000376098395 433664397 /nfs/dbraw/zinc/66/43/97/433664397.db2.gz SPTMWNFBCIAXKH-OIISXLGYSA-N -1 3 311.381 3.089 10 0 DGAEHM Cc1nc(C)c(C(=O)N2CC[C@H](C)c3cccc([O-])c32)nc1C ZINC000186286572 293217341 /nfs/dbraw/zinc/21/73/41/293217341.db2.gz AKIDJFPNOUVMMM-JTQLQIEISA-N -1 3 311.385 3.261 10 0 DGAEHM O=C(N[C@H]1C[C@H](c2cccc(Cl)c2)C1)c1csc(=O)[n-]1 ZINC000373880635 293327269 /nfs/dbraw/zinc/32/72/69/293327269.db2.gz JXPKOTNFRKQPQH-HOMQSWHASA-N -1 3 308.790 3.178 10 0 DGAEHM CC1(C)[C@H](NC(=O)c2cc([O-])c3ccccc3c2)[C@H]2CCO[C@H]21 ZINC000376098393 293612857 /nfs/dbraw/zinc/61/28/57/293612857.db2.gz SPTMWNFBCIAXKH-DJIMGWMZSA-N -1 3 311.381 3.089 10 0 DGAEHM CN(CCCOc1ccc(F)cc1)C(=O)c1cccc([O-])c1 ZINC000357252674 433925719 /nfs/dbraw/zinc/92/57/19/433925719.db2.gz GCOIOVZJLUZHLC-UHFFFAOYSA-N -1 3 303.333 3.072 10 0 DGAEHM CC(=O)c1ccc2c(c1)CCN(C(=O)c1cccc(C)c1[O-])CC2 ZINC000363159767 433986110 /nfs/dbraw/zinc/98/61/10/433986110.db2.gz TWPZVLOQJLHYSA-UHFFFAOYSA-N -1 3 323.392 3.144 10 0 DGAEHM O=C(c1cc(-c2ccco2)[n-]n1)N1CC2(CC2)c2ccccc21 ZINC000363246568 434007834 /nfs/dbraw/zinc/00/78/34/434007834.db2.gz YWILLSUCLQPVMM-UHFFFAOYSA-N -1 3 305.337 3.362 10 0 DGAEHM O=C(c1cc(-c2ccco2)n[n-]1)N1CC2(CC2)c2ccccc21 ZINC000363246568 434007842 /nfs/dbraw/zinc/00/78/42/434007842.db2.gz YWILLSUCLQPVMM-UHFFFAOYSA-N -1 3 305.337 3.362 10 0 DGAEHM CO[C@@H](C)[C@@H](C)NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436613288 434034964 /nfs/dbraw/zinc/03/49/64/434034964.db2.gz UMXSNYCGDLAYKB-KGLIPLIRSA-N -1 3 313.397 3.136 10 0 DGAEHM CO[C@H](C)[C@@H](C)NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436610876 293929859 /nfs/dbraw/zinc/92/98/59/293929859.db2.gz NSUXEQBXJRTNRW-CHWSQXEVSA-N -1 3 315.369 3.338 10 0 DGAEHM CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)c1cccc([O-])c1 ZINC000357510945 434056457 /nfs/dbraw/zinc/05/64/57/434056457.db2.gz CXXXRVIPHGMQOY-BZNIZROVSA-N -1 3 303.333 3.037 10 0 DGAEHM O=C(N[C@@H]1C[C@H]1c1ccc2ccccc2c1)c1csc(=O)[n-]1 ZINC000437333489 434251682 /nfs/dbraw/zinc/25/16/82/434251682.db2.gz OBJICVZAVWPYPV-UONOGXRCSA-N -1 3 310.378 3.288 10 0 DGAEHM c1[n-][nH]c2ncnc(=Nc3ccc(OC4CCCCC4)cc3)c1-2 ZINC000523877359 294962666 /nfs/dbraw/zinc/96/26/66/294962666.db2.gz VMTDEABYNHWMCU-UHFFFAOYSA-N -1 3 309.373 3.182 10 0 DGAEHM CC[C@@H](CC1CCCC1)C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000527208377 295083665 /nfs/dbraw/zinc/08/36/65/295083665.db2.gz DRXBCNAYGPKICC-ZFWWWQNUSA-N -1 3 305.422 3.228 10 0 DGAEHM O=S(=O)([N-]C1CCCCCC1)c1cnccc1C(F)(F)F ZINC000408429912 434573748 /nfs/dbraw/zinc/57/37/48/434573748.db2.gz NDHVNQWEDMCJJT-UHFFFAOYSA-N -1 3 322.352 3.102 10 0 DGAEHM CC(=O)c1ccc(C(=O)N[C@H]2c3ccccc3C[C@H]2C)cc1[O-] ZINC000412105227 434865262 /nfs/dbraw/zinc/86/52/62/434865262.db2.gz CNMAYAJLUCDLCQ-ADLMAVQZSA-N -1 3 309.365 3.258 10 0 DGAEHM CCC[C@]1(CO)CCN(Cc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC000573983304 434939797 /nfs/dbraw/zinc/93/97/97/434939797.db2.gz SHJCAAIKDQXHOU-INIZCTEOSA-N -1 3 311.809 3.023 10 0 DGAEHM COC(=O)Cc1cc([O-])cc(C(F)(F)F)c1C(F)(F)F ZINC000575340523 435030360 /nfs/dbraw/zinc/03/03/60/435030360.db2.gz JOZJDPHYXSNVGP-UHFFFAOYSA-N -1 3 302.170 3.145 10 0 DGAEHM [O-]c1c(Br)ccc(OC(F)F)c1OC(F)F ZINC000575677011 435042678 /nfs/dbraw/zinc/04/26/78/435042678.db2.gz PJYFUGFICQPLJA-UHFFFAOYSA-N -1 3 305.021 3.358 10 0 DGAEHM [O-]c1cc(OC(F)F)c(OC(F)F)cc1Br ZINC000575675921 435042952 /nfs/dbraw/zinc/04/29/52/435042952.db2.gz LAMWSAKOHFRSLM-UHFFFAOYSA-N -1 3 305.021 3.358 10 0 DGAEHM CC(=O)c1cccc(NC(=O)CCCC[C@@H](C)C(C)=O)c1[O-] ZINC000516883305 435558113 /nfs/dbraw/zinc/55/81/13/435558113.db2.gz WDISLRVGCDGYIW-LLVKDONJSA-N -1 3 305.374 3.319 10 0 DGAEHM CC(C)[C@@H](C)CNC(=O)c1cc([O-])cc(Br)c1 ZINC000528633301 313046855 /nfs/dbraw/zinc/04/68/55/313046855.db2.gz GCKUHNUUDZUVBI-VIFPVBQESA-N -1 3 300.196 3.177 10 0 DGAEHM Cc1ccc([O-])c(C(=O)NCc2ccncc2C(F)(F)F)c1 ZINC000548396013 314443205 /nfs/dbraw/zinc/44/32/05/314443205.db2.gz RIRZZCUJOBLEJF-UHFFFAOYSA-N -1 3 310.275 3.044 10 0 DGAEHM CC(=O)c1cccc(NC(=O)c2ccc3c(n2)CCCC3)c1[O-] ZINC000570452518 315650457 /nfs/dbraw/zinc/65/04/57/315650457.db2.gz AXPMZXCNSSFTSL-UHFFFAOYSA-N -1 3 310.353 3.121 10 0 DGAEHM O=C(c1cccc2[n-]nnc21)N(Cc1ccco1)C1CCCC1 ZINC000183464937 323338921 /nfs/dbraw/zinc/33/89/21/323338921.db2.gz RBKBTRPVXFSBDP-UHFFFAOYSA-N -1 3 310.357 3.136 10 0 DGAEHM O=C(c1cccc2nn[n-]c21)N(Cc1ccco1)C1CCCC1 ZINC000183464937 323338924 /nfs/dbraw/zinc/33/89/24/323338924.db2.gz RBKBTRPVXFSBDP-UHFFFAOYSA-N -1 3 310.357 3.136 10 0 DGAEHM O=C(c1cccc2n[n-]nc21)N(Cc1ccco1)C1CCCC1 ZINC000183464937 323338927 /nfs/dbraw/zinc/33/89/27/323338927.db2.gz RBKBTRPVXFSBDP-UHFFFAOYSA-N -1 3 310.357 3.136 10 0 DGAEHM CCCC[C@@H](CCC)[N-]S(=O)(=O)c1cccnc1Cl ZINC000226132873 1176499326 /nfs/dbraw/zinc/49/93/26/1176499326.db2.gz UIVOTQBEKITJMT-LLVKDONJSA-N -1 3 304.843 3.372 10 0 DGAEHM CC/C=C/C[N-]S(=O)(=O)c1cc(C)c(Br)s1 ZINC000385001910 1177149661 /nfs/dbraw/zinc/14/96/61/1177149661.db2.gz MBIJYPYYQGHPGB-SNAWJCMRSA-N -1 3 324.265 3.064 10 0 DGAEHM Cc1cccc(C(=O)N(C[C@H]2CCCO2)C2CCCC2)c1[O-] ZINC000174519649 534586841 /nfs/dbraw/zinc/58/68/41/534586841.db2.gz XSQOYIXSMODHTN-OAHLLOKOSA-N -1 3 303.402 3.264 10 0 DGAEHM CCCCc1nnc([N-]C(=O)c2ncccc2OC(C)C)s1 ZINC000175515975 529053487 /nfs/dbraw/zinc/05/34/87/529053487.db2.gz AOYGGMCQPGSQTC-UHFFFAOYSA-N -1 3 320.418 3.315 10 0 DGAEHM CCCCN(Cc1ccccc1F)C(=O)c1csc(=O)[n-]1 ZINC000471697231 535260565 /nfs/dbraw/zinc/26/05/65/535260565.db2.gz KCRUTXFBBNZJLN-UHFFFAOYSA-N -1 3 308.378 3.430 10 0 DGAEHM O=C(Cc1ccccc1)Nc1cc(Br)ccc1[O-] ZINC000176189663 546116081 /nfs/dbraw/zinc/11/60/81/546116081.db2.gz TUQHNUVAQYZIHB-UHFFFAOYSA-N -1 3 306.159 3.336 10 0 DGAEHM O=C(NC1(CCOCc2ccccc2)CC1)c1cccc([O-])c1 ZINC000357258739 546698121 /nfs/dbraw/zinc/69/81/21/546698121.db2.gz SFJIIRWUDUOKPW-UHFFFAOYSA-N -1 3 311.381 3.262 10 0 DGAEHM CCCCOCCCNC(=O)c1cc([O-])c2ccccc2c1 ZINC000471560037 546901622 /nfs/dbraw/zinc/90/16/22/546901622.db2.gz SAFKOEZBRLUJJL-UHFFFAOYSA-N -1 3 301.386 3.482 10 0 DGAEHM O=C(NCCc1cccc(O)c1)c1cc([O-])c2ccccc2c1 ZINC000472357353 546902165 /nfs/dbraw/zinc/90/21/65/546902165.db2.gz ZYFLFWDTZJCNPT-UHFFFAOYSA-N -1 3 307.349 3.224 10 0 DGAEHM CCCC[C@@H](COC)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000527164445 546969344 /nfs/dbraw/zinc/96/93/44/546969344.db2.gz DUONPXHDZKNUGH-HNNXBMFYSA-N -1 3 301.386 3.480 10 0 DGAEHM CC(=O)c1ccc(NC([O-])=NO[C@@H]2CCCCO2)cc1Cl ZINC000121559012 630704025 /nfs/dbraw/zinc/70/40/25/630704025.db2.gz LQHXZLLBDFRBEK-CYBMUJFWSA-N -1 3 312.753 3.122 10 0 DGAEHM CC(=O)c1ccc(NC(=O)[N-]O[C@@H]2CCCCO2)cc1Cl ZINC000121559012 630704026 /nfs/dbraw/zinc/70/40/26/630704026.db2.gz LQHXZLLBDFRBEK-CYBMUJFWSA-N -1 3 312.753 3.122 10 0 DGAEHM Cc1cc(=O)[n-]c(CN[C@H](C)c2ccccc2Br)n1 ZINC000700461883 660627717 /nfs/dbraw/zinc/62/77/17/660627717.db2.gz GGROCCCVGPXTAH-SNVBAGLBSA-N -1 3 322.206 3.104 10 0 DGAEHM O=C([O-])[C@]12C[C@H]1C[C@H](NCc1c(Cl)cccc1Cl)C2 ZINC000712994356 661189882 /nfs/dbraw/zinc/18/98/82/661189882.db2.gz KKIQRGVLELPSHL-ITMYJUKJSA-N -1 3 300.185 3.336 10 0 DGAEHM O=C([N-]c1ncccc1Cl)c1nc(Br)cs1 ZINC000191940538 662084132 /nfs/dbraw/zinc/08/41/32/662084132.db2.gz WPHMHIWBTPUZLL-UHFFFAOYSA-N -1 3 318.583 3.206 10 0 DGAEHM Cc1ccc([O-])c(C(=O)Nc2cnc(Br)c(C)c2)c1 ZINC000235892538 1202605028 /nfs/dbraw/zinc/60/50/28/1202605028.db2.gz PPWSJGCTGDZUCR-UHFFFAOYSA-N -1 3 321.174 3.419 10 0 DGAEHM CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000312331157 1094980275 /nfs/dbraw/zinc/98/02/75/1094980275.db2.gz AGRSGNLNQBNUMO-CABZTGNLSA-N -1 3 320.817 3.121 10 0 DGAEHM CC[C@@H](CNCc1sccc1Br)CC(=O)[O-] ZINC000309665695 529491093 /nfs/dbraw/zinc/49/10/93/529491093.db2.gz HSDJNCFNTRKHMP-MRVPVSSYSA-N -1 3 306.225 3.101 10 0 DGAEHM O=C(Nc1cccc([O-])c1F)c1c[nH]nc1-c1ccc(F)cc1 ZINC000129467969 432005339 /nfs/dbraw/zinc/00/53/39/432005339.db2.gz ZQHRLAHMQQPOSH-UHFFFAOYSA-N -1 3 315.279 3.313 10 0 DGAEHM Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1cccc([O-])c1F ZINC000129459158 432005353 /nfs/dbraw/zinc/00/53/53/432005353.db2.gz ZEYRWAJNGIUXRH-UHFFFAOYSA-N -1 3 319.380 3.182 10 0 DGAEHM Cc1cc(S(=O)(=O)[N-][C@@H]2CC=CCC2)c(Cl)cc1F ZINC000177627087 301398492 /nfs/dbraw/zinc/39/84/92/301398492.db2.gz TYTRDBJOFUJFHW-SNVBAGLBSA-N -1 3 303.786 3.175 10 0 DGAEHM Cn1ccnc1-c1cc(NC(=O)CCCSC(C)(C)C)n[n-]1 ZINC000152681610 186097082 /nfs/dbraw/zinc/09/70/82/186097082.db2.gz YITATCHYFRAVPU-UHFFFAOYSA-N -1 3 321.450 3.061 10 0 DGAEHM Cn1ccnc1-c1cc(NC(=O)CCCSC(C)(C)C)[n-]n1 ZINC000152681610 186097084 /nfs/dbraw/zinc/09/70/84/186097084.db2.gz YITATCHYFRAVPU-UHFFFAOYSA-N -1 3 321.450 3.061 10 0 DGAEHM CCCC[C@@]1(CC)C(=O)[N-]C(=O)N=C1Nc1ccc(OC)cc1 ZINC000004057751 181067550 /nfs/dbraw/zinc/06/75/50/181067550.db2.gz UJGCCRPWGDSHRC-QGZVFWFLSA-N -1 3 317.389 3.342 10 0 DGAEHM CCOC(=O)c1ccsc1[N-]C(=O)c1c(F)cccc1F ZINC000004281455 181092498 /nfs/dbraw/zinc/09/24/98/181092498.db2.gz QLOUWPYTLWHHPS-UHFFFAOYSA-N -1 3 311.309 3.455 10 0 DGAEHM Cc1ccc(Sc2nc3ccccc3n3c(=O)[n-]nc23)cc1 ZINC000073665869 191339512 /nfs/dbraw/zinc/33/95/12/191339512.db2.gz OBOCSQJDIIIEBQ-UHFFFAOYSA-N -1 3 308.366 3.030 10 0 DGAEHM CCc1noc(C)c1NC(=O)c1c[n-]c2c(C)cccc2c1=O ZINC000165334525 432055223 /nfs/dbraw/zinc/05/52/23/432055223.db2.gz QMEVAFXQRCTNGC-UHFFFAOYSA-N -1 3 311.341 3.360 10 0 DGAEHM CCc1ccc([O-])c(C(=O)N2CCO[C@H](c3cccs3)C2)c1 ZINC000134347883 432076719 /nfs/dbraw/zinc/07/67/19/432076719.db2.gz YJGDBQCXHAOTLU-HNNXBMFYSA-N -1 3 317.410 3.230 10 0 DGAEHM O=c1cc(C(F)(F)F)nc(-c2ccc3cc(O)ccc3c2)[n-]1 ZINC000090714397 192924491 /nfs/dbraw/zinc/92/44/91/192924491.db2.gz YMMXGQAIJFRIOU-UHFFFAOYSA-N -1 3 306.243 3.315 10 0 DGAEHM COc1cc(CNc2cccnc2C)cc(Br)c1[O-] ZINC000091496050 193063872 /nfs/dbraw/zinc/06/38/72/193063872.db2.gz SITHOKZOYPXNMN-UHFFFAOYSA-N -1 3 323.190 3.479 10 0 DGAEHM Cc1ccc(Cl)cc1NCc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000090371108 283985426 /nfs/dbraw/zinc/98/54/26/283985426.db2.gz ONFYURJNGGCSDT-UHFFFAOYSA-N -1 3 317.698 3.363 10 0 DGAEHM O=C(NCc1cscn1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000101665021 284019199 /nfs/dbraw/zinc/01/91/99/284019199.db2.gz HMCIIVAXZVWKML-UHFFFAOYSA-N -1 3 324.405 3.370 10 0 DGAEHM CCNc1ccc(Cl)cc1NC(=O)c1cccc2nn[n-]c21 ZINC000119134780 284135486 /nfs/dbraw/zinc/13/54/86/284135486.db2.gz AGPTYYVYHHSBBL-UHFFFAOYSA-N -1 3 315.764 3.295 10 0 DGAEHM CCNc1ccc(Cl)cc1NC(=O)c1cccc2[n-]nnc21 ZINC000119134780 284135487 /nfs/dbraw/zinc/13/54/87/284135487.db2.gz AGPTYYVYHHSBBL-UHFFFAOYSA-N -1 3 315.764 3.295 10 0 DGAEHM CCNc1ccc(Cl)cc1NC(=O)c1cccc2n[n-]nc21 ZINC000119134780 284135489 /nfs/dbraw/zinc/13/54/89/284135489.db2.gz AGPTYYVYHHSBBL-UHFFFAOYSA-N -1 3 315.764 3.295 10 0 DGAEHM CC[C@@H](CC1CCCC1)C(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000119709114 284149691 /nfs/dbraw/zinc/14/96/91/284149691.db2.gz XBJUIFAIOMTYFI-ZDUSSCGKSA-N -1 3 315.421 3.355 10 0 DGAEHM CC[C@@H](CC1CCCC1)C(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000119709114 284149693 /nfs/dbraw/zinc/14/96/93/284149693.db2.gz XBJUIFAIOMTYFI-ZDUSSCGKSA-N -1 3 315.421 3.355 10 0 DGAEHM O=C(CNc1ccccc1)Nc1cc(Br)ccc1[O-] ZINC000094573722 193381568 /nfs/dbraw/zinc/38/15/68/193381568.db2.gz URHGMVKGHWPRMM-UHFFFAOYSA-N -1 3 321.174 3.205 10 0 DGAEHM Cc1nc(-c2cccc(NC(=O)c3cc(C)ccc3[O-])c2)no1 ZINC000121119530 284189093 /nfs/dbraw/zinc/18/90/93/284189093.db2.gz KYFINEWHOKJPDC-UHFFFAOYSA-N -1 3 309.325 3.311 10 0 DGAEHM Cc1cc(C(=O)Nc2cccc([O-])c2F)nn1-c1ccccc1 ZINC000128197473 284366844 /nfs/dbraw/zinc/36/68/44/284366844.db2.gz VVDGVECKYPGFTK-UHFFFAOYSA-N -1 3 311.316 3.278 10 0 DGAEHM Cn1ccnc1-c1noc([N-]Cc2cc3ccccc3s2)n1 ZINC000181533935 432134444 /nfs/dbraw/zinc/13/44/44/432134444.db2.gz HUWKSTSQQAWNMN-UHFFFAOYSA-N -1 3 311.370 3.297 10 0 DGAEHM CCc1ccccc1NC(=O)c1c[n-]c2c(OC)cccc2c1=O ZINC000039962866 183024925 /nfs/dbraw/zinc/02/49/25/183024925.db2.gz SQUPVWZVJIHYJN-UHFFFAOYSA-N -1 3 322.364 3.351 10 0 DGAEHM CCc1ccccc1NC(=O)c1c[n-]c2ccc(OC)cc2c1=O ZINC000039962776 183025179 /nfs/dbraw/zinc/02/51/79/183025179.db2.gz LJMQXJCHDLZRDW-UHFFFAOYSA-N -1 3 322.364 3.351 10 0 DGAEHM COc1cccc(Nc2ncnc([N-]c3nccs3)c2N)c1 ZINC000040688039 183117841 /nfs/dbraw/zinc/11/78/41/183117841.db2.gz BOYWBRGKSSCNID-UHFFFAOYSA-N -1 3 314.374 3.011 10 0 DGAEHM CC(=O)c1cccc(NC(=O)c2c[n-]c3c(F)cccc3c2=O)c1 ZINC000041055737 183160003 /nfs/dbraw/zinc/16/00/03/183160003.db2.gz OIJBFOLSIWFGRP-UHFFFAOYSA-N -1 3 324.311 3.122 10 0 DGAEHM CC(=O)c1cccc(NC(=O)c2cnc3c(F)cccc3c2[O-])c1 ZINC000041055737 183160005 /nfs/dbraw/zinc/16/00/05/183160005.db2.gz OIJBFOLSIWFGRP-UHFFFAOYSA-N -1 3 324.311 3.122 10 0 DGAEHM CCOC(=O)[C@@]([O-])(c1cc(Cl)cc(Cl)c1)C(F)(F)F ZINC000043463492 183364980 /nfs/dbraw/zinc/36/49/80/183364980.db2.gz GSYDVGKUKVELSF-JTQLQIEISA-N -1 3 317.090 3.306 10 0 DGAEHM O=C([O-])C[C@H](c1ccc(Br)cc1)N1CCCCC1 ZINC000057656266 184044299 /nfs/dbraw/zinc/04/42/99/184044299.db2.gz IELMTVCMYOPVIY-CYBMUJFWSA-N -1 3 312.207 3.451 10 0 DGAEHM C[C@@H](CCc1ccccc1)Nc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000057342476 184034301 /nfs/dbraw/zinc/03/43/01/184034301.db2.gz KLLCEUQOIATLBK-JTQLQIEISA-N -1 3 311.307 3.222 10 0 DGAEHM Cc1cccc(-c2cc(=O)[n-]c(NCc3ccc(F)cc3)n2)c1 ZINC000057341953 184034333 /nfs/dbraw/zinc/03/43/33/184034333.db2.gz TYGXNONVJBSDSA-UHFFFAOYSA-N -1 3 309.344 3.497 10 0 DGAEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C3CCCCC3)cc2)n1 ZINC000064343063 184294950 /nfs/dbraw/zinc/29/49/50/184294950.db2.gz IRMFXTWHJCXCHS-UHFFFAOYSA-N -1 3 311.385 3.264 10 0 DGAEHM Cn1ccnc1-c1cc(NC(=O)c2cccc3ccccc32)n[n-]1 ZINC000119682366 195015683 /nfs/dbraw/zinc/01/56/83/195015683.db2.gz QIQJTHZPMTUIDF-UHFFFAOYSA-N -1 3 317.352 3.216 10 0 DGAEHM Cn1ccnc1-c1cc(NC(=O)c2cccc3ccccc32)[n-]n1 ZINC000119682366 195015686 /nfs/dbraw/zinc/01/56/86/195015686.db2.gz QIQJTHZPMTUIDF-UHFFFAOYSA-N -1 3 317.352 3.216 10 0 DGAEHM CCO[C@@H]1C[C@@H](N(C)C(=O)c2cccc([O-])c2)C1(CC)CC ZINC000357306596 285708602 /nfs/dbraw/zinc/70/86/02/285708602.db2.gz KWNBLUGDSMOIHU-HZPDHXFCSA-N -1 3 305.418 3.448 10 0 DGAEHM CC(=O)c1ccc(-c2nc3cc(F)c(F)cc3c(=O)[n-]2)cc1F ZINC000357705858 285835386 /nfs/dbraw/zinc/83/53/86/285835386.db2.gz KJPKCKMVVIARRA-UHFFFAOYSA-N -1 3 318.254 3.210 10 0 DGAEHM Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1ccc(C)cc1[O-] ZINC000007960410 400115697 /nfs/dbraw/zinc/11/56/97/400115697.db2.gz OHDFBZLJZRNVGK-UHFFFAOYSA-N -1 3 315.417 3.351 10 0 DGAEHM O=C([O-])[C@H]1CCC[C@@H](NCc2cscc2Br)C1 ZINC000304615068 400123064 /nfs/dbraw/zinc/12/30/64/400123064.db2.gz SFZUMYRTFHWWAJ-WCBMZHEXSA-N -1 3 318.236 3.244 10 0 DGAEHM O=C(Nc1cccc2c1CCC2)c1c[n-]c2ccccc2c1=O ZINC000113737880 400381299 /nfs/dbraw/zinc/38/12/99/400381299.db2.gz VLYQIOZOLAHWMB-UHFFFAOYSA-N -1 3 304.349 3.269 10 0 DGAEHM O=C(Nc1cccc2c1CCC2)c1cnc2ccccc2c1[O-] ZINC000113737880 400381302 /nfs/dbraw/zinc/38/13/02/400381302.db2.gz VLYQIOZOLAHWMB-UHFFFAOYSA-N -1 3 304.349 3.269 10 0 DGAEHM CCOC(=O)C(Cc1cccc(OC)c1)=C([O-])c1ccccc1 ZINC000036472709 400390348 /nfs/dbraw/zinc/39/03/48/400390348.db2.gz FWIFGKLTPHSZGD-KRWDZBQOSA-N -1 3 312.365 3.300 10 0 DGAEHM [O-]c1ccc(F)c(F)c1CNc1cncc(Br)c1 ZINC000117841529 400421670 /nfs/dbraw/zinc/42/16/70/400421670.db2.gz SQRIAGZAXXYGPN-UHFFFAOYSA-N -1 3 315.117 3.440 10 0 DGAEHM CCC(=O)NCC[C@H]1CCc2cc(Br)c([O-])cc21 ZINC000144017496 400638457 /nfs/dbraw/zinc/63/84/57/400638457.db2.gz FCIPPXPPFSLFJC-SECBINFHSA-N -1 3 312.207 3.101 10 0 DGAEHM O=C(N[C@H]1C[C@H]1c1ccc(OC(F)F)cc1)c1cccc([O-])c1 ZINC000358054067 285959189 /nfs/dbraw/zinc/95/91/89/285959189.db2.gz AUBAGJLMMIWWFV-GJZGRUSLSA-N -1 3 319.307 3.280 10 0 DGAEHM CCn1cc(-c2cccc3nc([N-]c4cccc(C)n4)nn32)cn1 ZINC000168253923 400757013 /nfs/dbraw/zinc/75/70/13/400757013.db2.gz CLNARZRVDSWYGS-UHFFFAOYSA-N -1 3 319.372 3.060 10 0 DGAEHM O=S(=O)([N-]CCCC1CC1)c1cc(Cl)ccc1Cl ZINC000605588696 400878158 /nfs/dbraw/zinc/87/81/58/400878158.db2.gz NMQYNYPOMLAGPA-UHFFFAOYSA-N -1 3 308.230 3.462 10 0 DGAEHM Cc1cccc([O-])c1C(=O)NCCCCOCc1ccccc1 ZINC000624929867 400992820 /nfs/dbraw/zinc/99/28/20/400992820.db2.gz SBLHQVLSAPDRTG-UHFFFAOYSA-N -1 3 313.397 3.427 10 0 DGAEHM CC(C)[C@H](NC(=O)c1cc([O-])cc(Br)c1)C1CC1 ZINC000628136760 401531362 /nfs/dbraw/zinc/53/13/62/401531362.db2.gz MMFHHTHHWHCMSC-ZDUSSCGKSA-N -1 3 312.207 3.319 10 0 DGAEHM O=C(c1cccc([O-])c1)N1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000359482392 286317665 /nfs/dbraw/zinc/31/76/65/286317665.db2.gz SSTLFVVMQOWMPG-MRXNPFEDSA-N -1 3 317.772 3.339 10 0 DGAEHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H]3[C@@H]4CCC[C@@H]43)c2)n1 ZINC000253551432 165705837 /nfs/dbraw/zinc/70/58/37/165705837.db2.gz JTJVTORJKFMVJP-QLPKVWCKSA-N -1 3 323.396 3.396 10 0 DGAEHM O=C(Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1)c1cccc([O-])c1 ZINC000182292426 432175770 /nfs/dbraw/zinc/17/57/70/432175770.db2.gz MHYPUNOITLOAKN-UHFFFAOYSA-N -1 3 320.352 3.307 10 0 DGAEHM CCO[C@H](C)c1nc(CN(C)C(=O)c2cccc([O-])c2)cs1 ZINC000182519550 432199788 /nfs/dbraw/zinc/19/97/88/432199788.db2.gz RKNWXAFVSZFWOC-LLVKDONJSA-N -1 3 320.414 3.218 10 0 DGAEHM CCc1cc2c(CSC3CCOCC3)cc(=O)oc2cc1[O-] ZINC000130795952 196111114 /nfs/dbraw/zinc/11/11/14/196111114.db2.gz BVBBOTYTTSEIJW-UHFFFAOYSA-N -1 3 320.410 3.473 10 0 DGAEHM Cc1ccc([C@@H](C)[N-]S(=O)(=O)c2c(F)cccc2Cl)o1 ZINC000131007620 196131374 /nfs/dbraw/zinc/13/13/74/196131374.db2.gz OMCJUZPCCQFULU-SECBINFHSA-N -1 3 317.769 3.420 10 0 DGAEHM CC(=O)c1cnc(NC(=O)CCCc2ccc([O-])c(F)c2)s1 ZINC000345949429 263936425 /nfs/dbraw/zinc/93/64/25/263936425.db2.gz YTYYHHXUPYUWTR-UHFFFAOYSA-N -1 3 322.361 3.152 10 0 DGAEHM C[C@H]1CSCCN(C(=O)c2ccc3c(c2[O-])CCCC3)C1 ZINC000191229114 432237176 /nfs/dbraw/zinc/23/71/76/432237176.db2.gz DINOALHIBZMODM-GFCCVEGCSA-N -1 3 305.443 3.096 10 0 DGAEHM CO[C@H](c1ccccc1F)[C@H](C)NC(=O)c1cccc([O-])c1 ZINC000357510951 270988554 /nfs/dbraw/zinc/98/85/54/270988554.db2.gz CXXXRVIPHGMQOY-ZBEGNZNMSA-N -1 3 303.333 3.037 10 0 DGAEHM O=C(N[C@H](c1ccccc1)C1CCOCC1)c1cccc([O-])c1 ZINC000368059181 271127725 /nfs/dbraw/zinc/12/77/25/271127725.db2.gz LINMAXGQRDPEEK-GOSISDBHSA-N -1 3 311.381 3.290 10 0 DGAEHM O=C(c1cc([O-])c2ccccc2c1)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000369732507 271314411 /nfs/dbraw/zinc/31/44/11/271314411.db2.gz OUNXRVXJGVRQFN-AWEZNQCLSA-N -1 3 321.380 3.288 10 0 DGAEHM CC(C)n1c(=O)c2sc(N3CCCCC3)nc2[n-]c1=S ZINC000103599962 276081447 /nfs/dbraw/zinc/08/14/47/276081447.db2.gz NXNXNMONEKLTSC-UHFFFAOYSA-N -1 3 310.448 3.087 10 0 DGAEHM CC(=O)c1ccc(C(=O)N2CC[C@]3(CC[C@H](C)C3)C2)cc1[O-] ZINC000408466259 277108851 /nfs/dbraw/zinc/10/88/51/277108851.db2.gz KZZFSSWBNTWTJL-SGTLLEGYSA-N -1 3 301.386 3.247 10 0 DGAEHM NC(=O)N([O-])[C@H]1CCCc2cc(OCc3ccccc3)ccc21 ZINC000000005266 431112059 /nfs/dbraw/zinc/11/20/59/431112059.db2.gz HGXVXGSOOPCMHM-KRWDZBQOSA-N -1 3 312.369 3.413 10 0 in-vivo DGAEHM C[C@@H](C[N-]C(=O)C(F)(F)F)c1ccc(N2CCCCC2)cc1 ZINC000002007728 431242285 /nfs/dbraw/zinc/24/22/85/431242285.db2.gz FNHREEMAUFSJRN-LBPRGKRZSA-N -1 3 314.351 3.459 10 0 DGAEHM Cc1[nH]c2c(C(=O)[O-])cccc2c(=O)c1CN1CCCCCC1 ZINC000008713921 431406779 /nfs/dbraw/zinc/40/67/79/431406779.db2.gz XWJABVDCKRSPRG-UHFFFAOYSA-N -1 3 314.385 3.323 10 0 DGAEHM O=C(c1c[n-]c2ccccc2c1=O)N1CCC[C@@H]1c1ccco1 ZINC000116453837 431513502 /nfs/dbraw/zinc/51/35/02/431513502.db2.gz MYCWXFRLGODGGE-OAHLLOKOSA-N -1 3 308.337 3.098 10 0 DGAEHM Cc1nc([N-]c2nc(-c3ccccc3)nc3ccccc32)n[nH]1 ZINC000013609911 431559145 /nfs/dbraw/zinc/55/91/45/431559145.db2.gz LOMHIZSZCBDLPG-UHFFFAOYSA-N -1 3 302.341 3.467 10 0 DGAEHM Cc1cc(=O)[n-]c(Nc2nc3cc(Cl)c(Cl)cc3n2C)n1 ZINC000032285785 280301443 /nfs/dbraw/zinc/30/14/43/280301443.db2.gz VINSEMMMZSSDDI-UHFFFAOYSA-N -1 3 324.171 3.015 10 0 DGAEHM CC(=O)c1cnc([N-]C(=O)c2cc(-c3ccccc3)on2)s1 ZINC000118684713 431613537 /nfs/dbraw/zinc/61/35/37/431613537.db2.gz XBHLZWQDLMQHCD-UHFFFAOYSA-N -1 3 313.338 3.253 10 0 DGAEHM Cc1ccc([C@H](C)[N-]S(=O)(=O)c2ccc(F)cc2Cl)o1 ZINC000044303343 431872819 /nfs/dbraw/zinc/87/28/19/431872819.db2.gz WOHGEDVIZTVANC-VIFPVBQESA-N -1 3 317.769 3.420 10 0 DGAEHM CC1(C)CN(C(=O)c2c([O-])cccc2O)CC[C@H]1C(F)(F)F ZINC000191779479 281217441 /nfs/dbraw/zinc/21/74/41/281217441.db2.gz TUQSNVYDBDJJAE-LLVKDONJSA-N -1 3 317.307 3.148 10 0 DGAEHM CC1(C)CN(C(=O)c2ccc(O)cc2[O-])CC[C@@H]1C(F)(F)F ZINC000190734772 281221811 /nfs/dbraw/zinc/22/18/11/281221811.db2.gz JSLBGIZQJHFTLG-LBPRGKRZSA-N -1 3 317.307 3.148 10 0 DGAEHM Cn1ccnc1-c1cc(NC(=O)C2(C)CCCCCC2)n[n-]1 ZINC000183241461 432272590 /nfs/dbraw/zinc/27/25/90/432272590.db2.gz XYVXAJLTWOYZBN-UHFFFAOYSA-N -1 3 301.394 3.109 10 0 DGAEHM Cn1ccnc1-c1cc(NC(=O)C2(C)CCCCCC2)[n-]n1 ZINC000183241461 432272594 /nfs/dbraw/zinc/27/25/94/432272594.db2.gz XYVXAJLTWOYZBN-UHFFFAOYSA-N -1 3 301.394 3.109 10 0 DGAEHM C[C@H]1COCC[C@@H]1C(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000192827117 432418323 /nfs/dbraw/zinc/41/83/23/432418323.db2.gz XWFQFVRKPRABAY-WPRPVWTQSA-N -1 3 303.280 3.022 10 0 DGAEHM COc1cccc(Cl)c1CC(=O)Nc1cc(F)ccc1[O-] ZINC000154123806 432474473 /nfs/dbraw/zinc/47/44/73/432474473.db2.gz JSBSYBXQYNXAFX-UHFFFAOYSA-N -1 3 309.724 3.375 10 0 DGAEHM Cc1cc(C)c(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)o1 ZINC000176190249 432500299 /nfs/dbraw/zinc/50/02/99/432500299.db2.gz NDXJRTUXOQRSLK-UHFFFAOYSA-N -1 3 323.352 3.207 10 0 DGAEHM CC(C)c1cnc(CN2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)s1 ZINC000263512247 432551906 /nfs/dbraw/zinc/55/19/06/432551906.db2.gz NSDWHNCJPWIPHN-AVGNSLFASA-N -1 3 308.447 3.484 10 0 DGAEHM CCn1nc(C)c([N-]S(=O)(=O)/C=C/c2ccc(F)cc2)c1C ZINC000176714074 432546987 /nfs/dbraw/zinc/54/69/87/432546987.db2.gz RSHAOPZKGOFSHF-MDZDMXLPSA-N -1 3 323.393 3.072 10 0 DGAEHM CCc1cc(C(=O)[N-]c2nc3ccc(Cl)cn3n2)oc1CC ZINC000157262165 432616523 /nfs/dbraw/zinc/61/65/23/432616523.db2.gz WGUZBKZSBQDZBV-UHFFFAOYSA-N -1 3 318.764 3.353 10 0 DGAEHM CCC[C@@H](C)NC(=O)[C@@H]1CCCN(Cc2cc([O-])cc(F)c2)C1 ZINC000186203291 432567700 /nfs/dbraw/zinc/56/77/00/432567700.db2.gz LXROXGNAIMWZBS-UKRRQHHQSA-N -1 3 322.424 3.048 10 0 DGAEHM Cc1cc(C)n([C@@H](C)C(=O)N2CC[C@H](C)c3cccc([O-])c32)n1 ZINC000186281228 432577993 /nfs/dbraw/zinc/57/79/93/432577993.db2.gz CCLRRYRFQMCHTN-FZMZJTMJSA-N -1 3 313.401 3.307 10 0 DGAEHM CCOC[C@@H]1CCCN(C(=O)c2ccc3c(c2[O-])CCCC3)C1 ZINC000186366393 432587608 /nfs/dbraw/zinc/58/76/08/432587608.db2.gz GWVULQIIHGURKO-CQSZACIVSA-N -1 3 317.429 3.160 10 0 DGAEHM CCCCCc1nnc([N-]C(=O)c2cn3ccnc3s2)s1 ZINC000188144998 432707172 /nfs/dbraw/zinc/70/71/72/432707172.db2.gz QVPLIQCMBURMIZ-UHFFFAOYSA-N -1 3 321.431 3.232 10 0 DGAEHM CC(=O)c1ccc(C(=O)N(C)Cc2cc(C)cc(C)c2)cc1[O-] ZINC000412288526 433139583 /nfs/dbraw/zinc/13/95/83/433139583.db2.gz GMPADLJMTMMILY-UHFFFAOYSA-N -1 3 311.381 3.484 10 0 DGAEHM c1ccc(-c2nc(Sc3nc(C4CC4)ns3)n[n-]2)cc1 ZINC000356511960 433596735 /nfs/dbraw/zinc/59/67/35/433596735.db2.gz XFYLWUVQOIAYKK-UHFFFAOYSA-N -1 3 301.400 3.352 10 0 DGAEHM CC(C)(C)OC(=O)NCCCNCc1cccc([O-])c1Cl ZINC000293617258 433803132 /nfs/dbraw/zinc/80/31/32/433803132.db2.gz QCHCXWYZOMPRED-UHFFFAOYSA-N -1 3 314.813 3.050 10 0 DGAEHM O=C(c1cc([O-])c2ccccc2c1)N1CCC[C@@H]1c1ncc[nH]1 ZINC000376137037 293619301 /nfs/dbraw/zinc/61/93/01/293619301.db2.gz XLJJKHCHLRKDLD-OAHLLOKOSA-N -1 3 307.353 3.246 10 0 DGAEHM O=C(Nc1ccc2[nH]c([C@H]3CCCO3)nc2c1)c1cccc([O-])c1 ZINC000357346815 433963981 /nfs/dbraw/zinc/96/39/81/433963981.db2.gz MWWKTZCOCVJOPM-MRXNPFEDSA-N -1 3 323.352 3.372 10 0 DGAEHM Cc1nc2ccccc2n1CCC(=O)Nc1c(C)cccc1[O-] ZINC000357600765 434097074 /nfs/dbraw/zinc/09/70/74/434097074.db2.gz PKVMVIVURWOVIB-UHFFFAOYSA-N -1 3 309.369 3.388 10 0 DGAEHM O=C(NCCc1cccc2ccccc21)c1c([O-])cccc1O ZINC000436645934 434050792 /nfs/dbraw/zinc/05/07/92/434050792.db2.gz FJAXETVTBCUAGX-UHFFFAOYSA-N -1 3 307.349 3.224 10 0 DGAEHM CC(C)(C)OCCNCc1cccc([O-])c1Br ZINC000315265592 434161878 /nfs/dbraw/zinc/16/18/78/434161878.db2.gz RBWPLXGTRIQLFS-UHFFFAOYSA-N -1 3 302.212 3.059 10 0 DGAEHM CCCCOc1ccc(C(=O)NCc2cnc(C)s2)c([O-])c1 ZINC000436989252 434194770 /nfs/dbraw/zinc/19/47/70/434194770.db2.gz NPNZSIFIYTVVMM-UHFFFAOYSA-N -1 3 320.414 3.266 10 0 DGAEHM C[C@H]1CN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)CCS1 ZINC000329013311 434345309 /nfs/dbraw/zinc/34/53/09/434345309.db2.gz PHMPPIKGOGQRRL-JTQLQIEISA-N -1 3 315.398 3.019 10 0 DGAEHM CC(C)c1cc(C(=O)N2C[C@H](F)C[C@@H]2CO)c([O-])c(C(C)C)c1 ZINC000366685179 434483729 /nfs/dbraw/zinc/48/37/29/434483729.db2.gz LMLKWSIXKMBIOZ-ZIAGYGMSSA-N -1 3 323.408 3.184 10 0 DGAEHM CCN(Cc1cc([O-])ccc1Br)[C@H]1CCCOC1 ZINC000402785458 434501907 /nfs/dbraw/zinc/50/19/07/434501907.db2.gz YUWKZUHBDKOKQH-LBPRGKRZSA-N -1 3 314.223 3.156 10 0 DGAEHM C[C@H](CC(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1)C1CCCCC1 ZINC000525967332 295046075 /nfs/dbraw/zinc/04/60/75/295046075.db2.gz DZKJPKRTUVQSLQ-DOMZBBRYSA-N -1 3 305.422 3.228 10 0 DGAEHM CC1(C)CCCC[C@@H]1CC(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000527499490 295099265 /nfs/dbraw/zinc/09/92/65/295099265.db2.gz HPWALBSPVPVPGQ-TZMCWYRMSA-N -1 3 305.422 3.228 10 0 DGAEHM CCOc1cc(CN2CCC[C@]23CCOC3)cc(Cl)c1[O-] ZINC000459532888 434596188 /nfs/dbraw/zinc/59/61/88/434596188.db2.gz XNAFJXQPYARPHA-MRXNPFEDSA-N -1 3 311.809 3.199 10 0 DGAEHM Cc1ccc(-c2nc(-c3ccc(OC(F)F)cn3)no2)c([O-])c1 ZINC000445526131 434809030 /nfs/dbraw/zinc/80/90/30/434809030.db2.gz SQUWDNWMLGGHNS-UHFFFAOYSA-N -1 3 319.267 3.414 10 0 DGAEHM COC(=O)Cc1cc(C(F)(F)F)c(C(F)(F)F)cc1[O-] ZINC000575340418 435029954 /nfs/dbraw/zinc/02/99/54/435029954.db2.gz AESISTJIWYVBFO-UHFFFAOYSA-N -1 3 302.170 3.145 10 0 DGAEHM Cc1ccc([C@@H](C)C[N-]S(=O)(=O)c2cncc(Cl)c2)cc1 ZINC000533176782 313602723 /nfs/dbraw/zinc/60/27/23/313602723.db2.gz YLPSHRXTSWJLLU-LBPRGKRZSA-N -1 3 324.833 3.125 10 0 DGAEHM C[C@H]1CCN(C(=O)c2cccc3[n-]nnc32)[C@@H]1c1cccc(F)c1 ZINC000180111158 323221303 /nfs/dbraw/zinc/22/13/03/323221303.db2.gz ZKAFJOSIPYLTNP-GTNSWQLSSA-N -1 3 324.359 3.320 10 0 DGAEHM C[C@H]1CCN(C(=O)c2cccc3nn[n-]c32)[C@@H]1c1cccc(F)c1 ZINC000180111158 323221306 /nfs/dbraw/zinc/22/13/06/323221306.db2.gz ZKAFJOSIPYLTNP-GTNSWQLSSA-N -1 3 324.359 3.320 10 0 DGAEHM C[C@H]1CCN(C(=O)c2cccc3n[n-]nc32)[C@@H]1c1cccc(F)c1 ZINC000180111158 323221309 /nfs/dbraw/zinc/22/13/09/323221309.db2.gz ZKAFJOSIPYLTNP-GTNSWQLSSA-N -1 3 324.359 3.320 10 0 DGAEHM Cc1ncc(-c2nc(-c3ccc(C(C)(C)C)cc3)no2)c(=O)[n-]1 ZINC000073637871 527219025 /nfs/dbraw/zinc/21/90/25/527219025.db2.gz LCBZSXMQPLDWDI-UHFFFAOYSA-N -1 3 310.357 3.093 10 0 DGAEHM CC(=O)c1cnc(NC(=O)c2ccc3c(c2[O-])CCCC3)s1 ZINC000182711642 527421277 /nfs/dbraw/zinc/42/12/77/527421277.db2.gz CDJSRVDYVVMOOH-UHFFFAOYSA-N -1 3 316.382 3.182 10 0 DGAEHM CCC[C@H](NCc1cc(Cl)ccc1OC(F)F)C(=O)[O-] ZINC000036838796 545671402 /nfs/dbraw/zinc/67/14/02/545671402.db2.gz RWZOKIYMBSIMMX-JTQLQIEISA-N -1 3 307.724 3.284 10 0 DGAEHM COc1ccc2nc(-c3ccc(C(C)=O)c(F)c3)[n-]c(=O)c2c1 ZINC000357695901 546700525 /nfs/dbraw/zinc/70/05/25/546700525.db2.gz KAJXKPLGEIVKAM-UHFFFAOYSA-N -1 3 312.300 3.353 10 0 DGAEHM O=C(c1cc([O-])c2ccccc2c1)N1CCN(C2CCCC2)CC1 ZINC000471699083 546901488 /nfs/dbraw/zinc/90/14/88/546901488.db2.gz UXZMRWXNQDBLLD-UHFFFAOYSA-N -1 3 324.424 3.246 10 0 DGAEHM CO[C@]1(C)C[C@@H](NC(=O)c2cc([O-])c3ccccc3c2)C1(C)C ZINC000527467343 546970490 /nfs/dbraw/zinc/97/04/90/546970490.db2.gz NRHKQPQCDJJZEQ-VQIMIIECSA-N -1 3 313.397 3.479 10 0 DGAEHM COc1ccc([C@H]2CC(=O)c3c([O-])cc(OC)cc3O2)cc1 ZINC000001561069 560182274 /nfs/dbraw/zinc/18/22/74/560182274.db2.gz CKEXCBVNKRHAMX-OAHLLOKOSA-N -1 3 300.310 3.116 10 0 biogenic,in-vitro DGAEHM CC[C@H]([N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)C(C)C ZINC000081673250 660193957 /nfs/dbraw/zinc/19/39/57/660193957.db2.gz UMDGTEWMEOURGP-JTQLQIEISA-N -1 3 311.234 3.101 10 0 DGAEHM C[C@@H]1CN(Cc2ccc(Br)s2)C[C@H]1CC(=O)[O-] ZINC000722663428 655561736 /nfs/dbraw/zinc/56/17/36/655561736.db2.gz CUUCETFJRVYAPE-RKDXNWHRSA-N -1 3 318.236 3.053 10 0 DGAEHM COc1cccc(C(=O)Nc2ccc3c(c2)CCCN3C)c1[O-] ZINC000121224021 655653250 /nfs/dbraw/zinc/65/32/50/655653250.db2.gz MVCDCFTVAJJGIN-UHFFFAOYSA-N -1 3 312.369 3.036 10 0 DGAEHM CC(C)(C)n1cc([N-]S(=O)(=O)/C=C\c2ccccc2)cn1 ZINC000255323325 655699217 /nfs/dbraw/zinc/69/92/17/655699217.db2.gz DYGLXXPQBMJGLO-KTKRTIGZSA-N -1 3 305.403 3.051 10 0 DGAEHM Cc1ccc(O)c([N-]S(=O)(=O)/C=C/c2ccc(F)cc2)c1 ZINC000176963812 655885173 /nfs/dbraw/zinc/88/51/73/655885173.db2.gz BYGHTSRCEFXBNH-CMDGGOBGSA-N -1 3 307.346 3.252 10 0 DGAEHM O=[N+]([O-])c1ccc([N-]S(=O)(=O)/C=C/c2ccc(F)cc2)cc1 ZINC000181329348 659994363 /nfs/dbraw/zinc/99/43/63/659994363.db2.gz QLYDFWDYVMEYFR-MDZDMXLPSA-N -1 3 322.317 3.147 10 0 DGAEHM CCCC[C@H](CC)C[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000380694098 1177304777 /nfs/dbraw/zinc/30/47/77/1177304777.db2.gz MLGQMIIXTFGCLM-JTQLQIEISA-N -1 3 322.833 3.369 10 0 DGAEHM C[C@H](CCC(C)(C)C)[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000386312522 1177402540 /nfs/dbraw/zinc/40/25/40/1177402540.db2.gz XARYAGXBJHQPTA-SECBINFHSA-N -1 3 322.833 3.367 10 0 DGAEHM CC(C)CC(C)(C)C[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000391294687 1197714362 /nfs/dbraw/zinc/71/43/62/1197714362.db2.gz PBFCTPBTMSWMFD-UHFFFAOYSA-N -1 3 322.833 3.225 10 0 DGAEHM O=C(NCC[C@@H]1CC[C@H]2C[C@H]21)c1cc([O-])cc(Br)c1 ZINC000717164763 1104217624 /nfs/dbraw/zinc/21/76/24/1104217624.db2.gz RSWBHPZLFWIPRJ-BHDSKKPTSA-N -1 3 324.218 3.321 10 0 DGAEHM CC1(C)C[C@]1(C)C[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000702396873 1109054446 /nfs/dbraw/zinc/05/44/46/1109054446.db2.gz YWLNETWGSYEWKE-GFCCVEGCSA-N -1 3 323.245 3.103 10 0 DGAEHM CC[C@@](C)(CNCc1ncc(-c2ccccc2)s1)C(=O)[O-] ZINC000446157555 529499521 /nfs/dbraw/zinc/49/95/21/529499521.db2.gz RNRLCBCIZIQJQF-INIZCTEOSA-N -1 3 304.415 3.401 10 0 DGAEHM O=c1cc(C(F)(F)F)nc(CNc2cccc(Cl)c2)[n-]1 ZINC000090371022 185292942 /nfs/dbraw/zinc/29/29/42/185292942.db2.gz WORFGOGNWNYESG-UHFFFAOYSA-N -1 3 303.671 3.054 10 0 DGAEHM CC(=O)[C@@H](C)CCCCC(=O)N1CCCc2cccc([O-])c21 ZINC000272608627 210009057 /nfs/dbraw/zinc/00/90/57/210009057.db2.gz ZPZSTLWYAUPBEL-ZDUSSCGKSA-N -1 3 303.402 3.457 10 0 DGAEHM Cc1nc(C(F)(F)F)c(C[S@](=O)c2cccc([O-])c2)s1 ZINC000183700085 199632491 /nfs/dbraw/zinc/63/24/91/199632491.db2.gz HDZRQPABKSKWKM-FQEVSTJZSA-N -1 3 321.345 3.484 10 0 DGAEHM CCc1cnc(NC(=O)c2c[n-]nc2-c2ccc(F)cc2)s1 ZINC000081232416 192238931 /nfs/dbraw/zinc/23/89/31/192238931.db2.gz RQXAVIJVVXGJFP-UHFFFAOYSA-N -1 3 316.361 3.487 10 0 DGAEHM Cc1ccc(N2C[C@@H](C(=O)Nc3c(C)cccc3[O-])CC2=O)cc1 ZINC000179544383 199053105 /nfs/dbraw/zinc/05/31/05/199053105.db2.gz ZPXXZMGBRZMRJQ-AWEZNQCLSA-N -1 3 324.380 3.001 10 0 DGAEHM CC(C)CC(CC(C)C)C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000451333424 241086730 /nfs/dbraw/zinc/08/67/30/241086730.db2.gz YFZSCWRHIUQYOT-HNNXBMFYSA-N -1 3 307.438 3.330 10 0 DGAEHM [O-]c1cccc(CNCCCc2ccccn2)c1Br ZINC000459450829 243374780 /nfs/dbraw/zinc/37/47/80/243374780.db2.gz PCLNJCLYTDKCEY-UHFFFAOYSA-N -1 3 321.218 3.272 10 0 DGAEHM C[C@H](CC1CCCCC1)C(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000119370157 284141477 /nfs/dbraw/zinc/14/14/77/284141477.db2.gz JGJGYBUNSATGKL-GFCCVEGCSA-N -1 3 315.421 3.355 10 0 DGAEHM C[C@H](CC1CCCCC1)C(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000119370157 284141481 /nfs/dbraw/zinc/14/14/81/284141481.db2.gz JGJGYBUNSATGKL-GFCCVEGCSA-N -1 3 315.421 3.355 10 0 DGAEHM C[C@@H]1C[C@H](CC(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)CC(C)(C)C1 ZINC000473853033 244352041 /nfs/dbraw/zinc/35/20/41/244352041.db2.gz CSRLFFPMUNSBPI-UMVBOHGHSA-N -1 3 319.449 3.474 10 0 DGAEHM CCc1cc(=O)[n-]c(CN2CC[C@@H](C(F)(F)F)C(C)(C)C2)n1 ZINC000190213124 432131680 /nfs/dbraw/zinc/13/16/80/432131680.db2.gz RPZFVNNOJWTHBH-LLVKDONJSA-N -1 3 317.355 3.155 10 0 DGAEHM Cc1ccc(C(=O)Nc2ccc(Br)cc2N)c([O-])c1 ZINC000020520830 182226832 /nfs/dbraw/zinc/22/68/32/182226832.db2.gz WUUNSARGBGXPTK-UHFFFAOYSA-N -1 3 321.174 3.298 10 0 DGAEHM COc1cccc2c1[n-]cc(C(=O)Nc1ccc(C)cc1C)c2=O ZINC000039962873 183025288 /nfs/dbraw/zinc/02/52/88/183025288.db2.gz QANGEZBJIQEVCE-UHFFFAOYSA-N -1 3 322.364 3.406 10 0 DGAEHM Cc1c(Cl)ccc2c(=O)c(C(=O)Nc3ccccn3)c[n-]c12 ZINC000040359337 183056998 /nfs/dbraw/zinc/05/69/98/183056998.db2.gz QBEWJLUGWFHUMR-UHFFFAOYSA-N -1 3 313.744 3.137 10 0 DGAEHM CC(C)c1[nH]nc2c1nc(Cc1cccc(Cl)c1)[n-]c2=O ZINC000040401732 183061776 /nfs/dbraw/zinc/06/17/76/183061776.db2.gz UORHIBXCPUHXFY-UHFFFAOYSA-N -1 3 302.765 3.014 10 0 DGAEHM Cc1nc(Nc2ncnc([N-]c3nccs3)c2N)sc1C ZINC000040780816 183133191 /nfs/dbraw/zinc/13/31/91/183133191.db2.gz DPELDKZCRYCQSP-UHFFFAOYSA-N -1 3 319.419 3.076 10 0 DGAEHM CCSCc1ccnc(NC(=O)c2cccc(OC)c2[O-])c1 ZINC000153504497 284675304 /nfs/dbraw/zinc/67/53/04/284675304.db2.gz TWVZLSGXPONALZ-UHFFFAOYSA-N -1 3 318.398 3.301 10 0 DGAEHM Cc1nc(C2CC2)oc1C(=O)[N-]c1ncn(C2CCCCC2)n1 ZINC000273934185 211188976 /nfs/dbraw/zinc/18/89/76/211188976.db2.gz JRTZTPBKNNZKMM-UHFFFAOYSA-N -1 3 315.377 3.209 10 0 DGAEHM O=C([O-])C[C@@H](c1ccc(Br)cc1)N1CCCCC1 ZINC000057656267 184044634 /nfs/dbraw/zinc/04/46/34/184044634.db2.gz IELMTVCMYOPVIY-ZDUSSCGKSA-N -1 3 312.207 3.451 10 0 DGAEHM COc1ccc(NCc2ccc([O-])c(Br)c2)cn1 ZINC000062700754 184247477 /nfs/dbraw/zinc/24/74/77/184247477.db2.gz HBJWYWJISNHROZ-UHFFFAOYSA-N -1 3 309.163 3.170 10 0 DGAEHM O=Cc1ccc(-c2ccc(C(=O)N3CCCCC3)cc2)cc1[O-] ZINC000065342206 184325345 /nfs/dbraw/zinc/32/53/45/184325345.db2.gz SDIGSZCFMAQHEU-UHFFFAOYSA-N -1 3 309.365 3.498 10 0 DGAEHM O=C(C/C=C\c1cccc(F)c1)NCc1ccc([O-])c(F)c1 ZINC000255047542 285123352 /nfs/dbraw/zinc/12/33/52/285123352.db2.gz ZVQHNJMZTWYZLX-RQOWECAXSA-N -1 3 303.308 3.390 10 0 DGAEHM Cc1ccc([C@H](C)[N-]S(=O)(=O)c2cc(F)c(C)cc2F)o1 ZINC000121840786 195359345 /nfs/dbraw/zinc/35/93/45/195359345.db2.gz SCQNINTWDLVIII-JTQLQIEISA-N -1 3 315.341 3.214 10 0 DGAEHM CCOC(=O)c1[n-]c(C)nc1NC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000610231214 400225944 /nfs/dbraw/zinc/22/59/44/400225944.db2.gz DADUJBHLUARFFW-CHWSQXEVSA-N -1 3 319.405 3.050 10 0 DGAEHM CCOC(=O)c1nc(C)[n-]c1NC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000610231214 400225946 /nfs/dbraw/zinc/22/59/46/400225946.db2.gz DADUJBHLUARFFW-CHWSQXEVSA-N -1 3 319.405 3.050 10 0 DGAEHM O=C([O-])c1cccc([C@@H]2CN(Cc3ccccc3)CCCO2)c1 ZINC000616652765 400193826 /nfs/dbraw/zinc/19/38/26/400193826.db2.gz OUGZUYMMXWQJPM-SFHVURJKSA-N -1 3 311.381 3.348 10 0 DGAEHM O=C([O-])c1cccc([C@@H]2COCCN(Cc3ccccc3)C2)c1 ZINC000616658759 400195993 /nfs/dbraw/zinc/19/59/93/400195993.db2.gz DQMPYVGJIPPCRH-SFHVURJKSA-N -1 3 311.381 3.001 10 0 DGAEHM Cc1ccc(NC(=O)c2c([O-])cc(F)cc2F)c(CN(C)C)c1 ZINC000073129223 400433472 /nfs/dbraw/zinc/43/34/72/400433472.db2.gz ZANHGLNKZZMYOZ-UHFFFAOYSA-N -1 3 320.339 3.293 10 0 DGAEHM CCC(F)(F)C(C)(C)C[N-]S(=O)(=O)c1cccc(F)c1 ZINC000625492357 401141958 /nfs/dbraw/zinc/14/19/58/401141958.db2.gz GSIZHRNUJUOTIX-UHFFFAOYSA-N -1 3 309.353 3.176 10 0 DGAEHM CC(=O)CN(CC(C)C)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000623030187 401456329 /nfs/dbraw/zinc/45/63/29/401456329.db2.gz GSOMQNJFBPWOMW-UHFFFAOYSA-N -1 3 317.307 3.098 10 0 DGAEHM O=C(NCCn1ccc2cc(Cl)ccc21)c1cccc([O-])c1 ZINC000359104844 286238169 /nfs/dbraw/zinc/23/81/69/286238169.db2.gz JOKPBJMXYMCESP-UHFFFAOYSA-N -1 3 314.772 3.430 10 0 DGAEHM Cc1cc(=O)[n-]c([C@H](C)N[C@@H](C)c2ccccc2-n2cccn2)n1 ZINC000192733573 165304223 /nfs/dbraw/zinc/30/42/23/165304223.db2.gz UFUCGBSGPLYXNM-KBPBESRZSA-N -1 3 323.400 3.088 10 0 DGAEHM O=C(N[C@@H](c1ccccc1)c1ccncc1)c1ccc(O)cc1[O-] ZINC000194106183 165337345 /nfs/dbraw/zinc/33/73/45/165337345.db2.gz MACKKUZREDKVSN-SFHVURJKSA-N -1 3 320.348 3.012 10 0 DGAEHM C[C@@H]1CN(C(=O)c2cccc([O-])c2)C[C@H](c2ccc(F)cc2)O1 ZINC000182505081 432197300 /nfs/dbraw/zinc/19/73/00/432197300.db2.gz NYVFNKGOUQXXPW-SJKOYZFVSA-N -1 3 315.344 3.134 10 0 DGAEHM C[C@H]1CN(C(=O)c2cccc([O-])c2)C[C@@H](c2ccc(F)cc2)O1 ZINC000182505135 432197777 /nfs/dbraw/zinc/19/77/77/432197777.db2.gz NYVFNKGOUQXXPW-SJCJKPOMSA-N -1 3 315.344 3.134 10 0 DGAEHM COc1ccc(CCNC(=O)c2cccc([O-])c2)c(Cl)c1 ZINC000182613341 432210728 /nfs/dbraw/zinc/21/07/28/432210728.db2.gz WIGRXBNIAYTJFY-UHFFFAOYSA-N -1 3 305.761 3.027 10 0 DGAEHM Cc1cc(NCc2ccc([O-])c(F)c2)nc(-c2cccnc2)n1 ZINC000150923161 432203958 /nfs/dbraw/zinc/20/39/58/432203958.db2.gz MNTGBXDWKALMDH-UHFFFAOYSA-N -1 3 310.332 3.304 10 0 DGAEHM CN(C)Cc1cccc(NC(=O)c2cc(F)c([O-])c(Cl)c2)c1 ZINC000184251769 228381338 /nfs/dbraw/zinc/38/13/38/228381338.db2.gz ZOFKETIUPFWMPT-UHFFFAOYSA-N -1 3 322.767 3.499 10 0 DGAEHM CC1(C)C[C@H](NC(=O)/C=C\c2cncc([O-])c2)c2ccccc2O1 ZINC000492477542 276145756 /nfs/dbraw/zinc/14/57/56/276145756.db2.gz VSGPTVQVMHMGAX-PTZVLDCSSA-N -1 3 324.380 3.219 10 0 DGAEHM C[C@H]1CCN(C(=O)c2cnn3c2CCCC3)c2c([O-])cccc21 ZINC000186273407 278364694 /nfs/dbraw/zinc/36/46/94/278364694.db2.gz LTCVVQPNYHFYTM-LBPRGKRZSA-N -1 3 311.385 3.079 10 0 DGAEHM O=C([O-])[C@@H]1CCC[C@@H](NCc2ccccc2Br)C1 ZINC000070571074 431252163 /nfs/dbraw/zinc/25/21/63/431252163.db2.gz COTSSZIRDVEMOS-ZYHUDNBSSA-N -1 3 312.207 3.182 10 0 DGAEHM CC[C@H](c1ccc(F)cc1)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000263106896 288153449 /nfs/dbraw/zinc/15/34/49/288153449.db2.gz ZYAXHEMWYAPMDO-JHJVBQTASA-N -1 3 319.298 3.472 10 0 DGAEHM COc1ccc([C@@H](C)NC(=O)c2cccc(OC)c2[O-])cc1F ZINC000078441727 431669166 /nfs/dbraw/zinc/66/91/66/431669166.db2.gz DZIZNBWHMSZMEQ-SNVBAGLBSA-N -1 3 319.332 3.040 10 0 DGAEHM CCC[C@H](C(=O)Nc1cc(-c2nccn2C)[n-]n1)c1ccccc1 ZINC000119353308 431680791 /nfs/dbraw/zinc/68/07/91/431680791.db2.gz SDVJRFSQCXVGBZ-AWEZNQCLSA-N -1 3 323.400 3.333 10 0 DGAEHM CCC[C@H](C(=O)Nc1cc(-c2nccn2C)n[n-]1)c1ccccc1 ZINC000119353308 431680796 /nfs/dbraw/zinc/68/07/96/431680796.db2.gz SDVJRFSQCXVGBZ-AWEZNQCLSA-N -1 3 323.400 3.333 10 0 DGAEHM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2F)c(C)s1 ZINC000032532011 431782323 /nfs/dbraw/zinc/78/23/23/431782323.db2.gz DTWHZSCQFKQYCA-UHFFFAOYSA-N -1 3 303.355 3.444 10 0 DGAEHM COc1cccc(C(=O)N2CCc3c([nH]c4ccccc43)C2)c1[O-] ZINC000089926503 431885977 /nfs/dbraw/zinc/88/59/77/431885977.db2.gz KBTAPYDFQBOJHP-UHFFFAOYSA-N -1 3 322.364 3.081 10 0 DGAEHM C[C@@H](C[N-]S(=O)(=O)c1cccs1)c1ccc(F)cc1F ZINC000174005072 432313122 /nfs/dbraw/zinc/31/31/22/432313122.db2.gz OGQLBNYAHOYVRB-VIFPVBQESA-N -1 3 317.382 3.108 10 0 DGAEHM Cc1csc([C@@H]2CCCN([C@@H](C)c3nc(C)cc(=O)[n-]3)C2)n1 ZINC000248729122 432314616 /nfs/dbraw/zinc/31/46/16/432314616.db2.gz IYJWRLKFWAIRER-QWHCGFSZSA-N -1 3 318.446 3.196 10 0 DGAEHM Cc1nn(C(C)(C)C)cc1[C@H](C)[N-]C(=O)C(F)(F)C(F)F ZINC000184360467 432383633 /nfs/dbraw/zinc/38/36/33/432383633.db2.gz KZXSZSORRGTITE-ZETCQYMHSA-N -1 3 309.307 3.024 10 0 DGAEHM Cc1oc2ccccc2c1C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000184528340 432401581 /nfs/dbraw/zinc/40/15/81/432401581.db2.gz BUGNTVWZASRHEM-UHFFFAOYSA-N -1 3 310.235 3.130 10 0 DGAEHM Cc1oc2ccccc2c1C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000184528340 432401584 /nfs/dbraw/zinc/40/15/84/432401584.db2.gz BUGNTVWZASRHEM-UHFFFAOYSA-N -1 3 310.235 3.130 10 0 DGAEHM CC(C)(C)c1cc(CN2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])no1 ZINC000263580554 432559311 /nfs/dbraw/zinc/55/93/11/432559311.db2.gz WCAQZLXLLVSGFU-BNOWGMLFSA-N -1 3 306.406 3.190 10 0 DGAEHM CC(=O)c1c(C)cc(C)c(CN([C@@H](C)C(=O)[O-])C2CC2)c1C ZINC000263088119 432520051 /nfs/dbraw/zinc/52/00/51/432520051.db2.gz IPICTCIBRBMMML-ZDUSSCGKSA-N -1 3 303.402 3.252 10 0 DGAEHM COc1ccc([O-])cc1C(=O)N1C[C@@H]2CCC(=O)c3cccc1c32 ZINC000189150305 432767354 /nfs/dbraw/zinc/76/73/54/432767354.db2.gz GMMVSSGBQZWQDL-NSHDSACASA-N -1 3 323.348 3.121 10 0 DGAEHM Cc1cccc(C(=O)NC[C@@H](C)COCc2ccccc2)c1[O-] ZINC000302941235 433906433 /nfs/dbraw/zinc/90/64/33/433906433.db2.gz BQYWGXUVNHWLAQ-CQSZACIVSA-N -1 3 313.397 3.283 10 0 DGAEHM CCCCCn1cc(CNC(=O)c2cccc([O-])c2)c(C)n1 ZINC000357261755 433930814 /nfs/dbraw/zinc/93/08/14/433930814.db2.gz ZQFGTCVAQMENNA-UHFFFAOYSA-N -1 3 301.390 3.017 10 0 DGAEHM Cc1nc(-c2ccc(C)c(NC(=O)c3cccc([O-])c3)c2)n[nH]1 ZINC000357303499 433944296 /nfs/dbraw/zinc/94/42/96/433944296.db2.gz KQWBBTDGSOWTES-UHFFFAOYSA-N -1 3 308.341 3.046 10 0 DGAEHM Cc1nc(C2(NC(=O)c3cccc([O-])c3)CCCCCC2)no1 ZINC000357346223 433965495 /nfs/dbraw/zinc/96/54/95/433965495.db2.gz LVOAOXWNHOJUIS-UHFFFAOYSA-N -1 3 315.373 3.063 10 0 DGAEHM CO[C@@H](C)[C@@H](C)NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436610880 293929827 /nfs/dbraw/zinc/92/98/27/293929827.db2.gz NSUXEQBXJRTNRW-OLZOCXBDSA-N -1 3 315.369 3.338 10 0 DGAEHM C[C@@H](COCc1ccccc1)NC(=O)c1cc([O-])ccc1Cl ZINC000340952844 434450682 /nfs/dbraw/zinc/45/06/82/434450682.db2.gz MBTXOBNBSILXRE-LBPRGKRZSA-N -1 3 319.788 3.381 10 0 DGAEHM C[C@@H]1CC[C@H](C)CN1C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000408152236 434545411 /nfs/dbraw/zinc/54/54/11/434545411.db2.gz XYUMINURCMKYKZ-VHSXEESVSA-N -1 3 320.339 3.067 10 0 DGAEHM CC[C@H](CC1CCCC1)C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000527208375 295083636 /nfs/dbraw/zinc/08/36/36/295083636.db2.gz DRXBCNAYGPKICC-HIFRSBDPSA-N -1 3 305.422 3.228 10 0 DGAEHM O=C(CC/C=C\c1ccccc1)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000527208763 295083672 /nfs/dbraw/zinc/08/36/72/295083672.db2.gz XONZHDKIAACYKK-SGNXQUTQSA-N -1 3 311.385 3.115 10 0 DGAEHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000527499734 295099140 /nfs/dbraw/zinc/09/91/40/295099140.db2.gz UQZYKUYTELRYFF-NHIYQJMISA-N -1 3 317.433 3.228 10 0 DGAEHM CC(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@]3(CC[C@H](C)C3)C2)c1 ZINC000408409730 434571153 /nfs/dbraw/zinc/57/11/53/434571153.db2.gz CDSQQQOLMCLNAH-KPZWWZAWSA-N -1 3 316.401 3.003 10 0 DGAEHM Cc1cccc(-c2nc(-c3ccc(OC(F)F)cn3)no2)c1[O-] ZINC000445517655 434809682 /nfs/dbraw/zinc/80/96/82/434809682.db2.gz FSEXVLCDDIFPKZ-UHFFFAOYSA-N -1 3 319.267 3.414 10 0 DGAEHM CCc1ncc(S(=O)(=O)[N-]C[C@@H](C)c2ccc(C)cc2)s1 ZINC000460955665 434866456 /nfs/dbraw/zinc/86/64/56/434866456.db2.gz CLJKLZTXJDXQLT-GFCCVEGCSA-N -1 3 324.471 3.096 10 0 DGAEHM [O-]c1ccc(I)c(F)c1OC(F)(F)F ZINC000575707259 435048989 /nfs/dbraw/zinc/04/89/89/435048989.db2.gz RSORQVLPDMAKKY-UHFFFAOYSA-N -1 3 321.995 3.035 10 0 DGAEHM O=C(c1cc([O-])c2ccccc2c1)N1CCOC2(CCCC2)C1 ZINC000376502557 312956587 /nfs/dbraw/zinc/95/65/87/312956587.db2.gz XELXZCHJCZCURL-UHFFFAOYSA-N -1 3 311.381 3.331 10 0 DGAEHM O=c1[n-]c(-c2ccc(OC(F)F)cn2)nc2ccc(F)cc21 ZINC000545226221 314235476 /nfs/dbraw/zinc/23/54/76/314235476.db2.gz HPLAZTMQTRNLFI-UHFFFAOYSA-N -1 3 307.231 3.138 10 0 DGAEHM CC(C)(C)n1cnc([N-]C(=O)c2scnc2C2CCCC2)n1 ZINC000545343834 314246479 /nfs/dbraw/zinc/24/64/79/314246479.db2.gz ZEDJIFWSJOTHCV-UHFFFAOYSA-N -1 3 319.434 3.400 10 0 DGAEHM Cc1ccc(NC(=O)c2ncsc2Br)c([O-])c1 ZINC000553226021 314636047 /nfs/dbraw/zinc/63/60/47/314636047.db2.gz WDXRWEQPCJCGEG-UHFFFAOYSA-N -1 3 313.176 3.172 10 0 DGAEHM c1cc(C2CCCC2)ccc1CNC1(c2nn[n-]n2)CCCC1 ZINC000577118748 316204719 /nfs/dbraw/zinc/20/47/19/316204719.db2.gz VVKWSALYDJDOFJ-UHFFFAOYSA-N -1 3 311.433 3.416 10 0 DGAEHM c1cc(C2CCCC2)ccc1CNC1(c2nnn[n-]2)CCCC1 ZINC000577118748 316204721 /nfs/dbraw/zinc/20/47/21/316204721.db2.gz VVKWSALYDJDOFJ-UHFFFAOYSA-N -1 3 311.433 3.416 10 0 DGAEHM O=C(N[C@@H]1C[C@@H]1c1ccc(OC(F)F)cc1)c1cccc([O-])c1 ZINC000358054068 501063174 /nfs/dbraw/zinc/06/31/74/501063174.db2.gz AUBAGJLMMIWWFV-HUUCEWRRSA-N -1 3 319.307 3.280 10 0 DGAEHM Cc1cccc(-c2cc(=O)[n-]c(NCc3ccccc3F)n2)c1 ZINC000057341972 524105386 /nfs/dbraw/zinc/10/53/86/524105386.db2.gz TWOSKAIPSLBMDJ-UHFFFAOYSA-N -1 3 309.344 3.497 10 0 DGAEHM CCC(C)(C)[C@@H]1CCCN1C(=O)c1cc(F)cc2[n-]nnc21 ZINC000328649642 528597205 /nfs/dbraw/zinc/59/72/05/528597205.db2.gz IUCGGSHGYXZZCG-ZDUSSCGKSA-N -1 3 304.369 3.138 10 0 DGAEHM CCC(C)(C)[C@@H]1CCCN1C(=O)c1cc(F)cc2nn[n-]c21 ZINC000328649642 528597210 /nfs/dbraw/zinc/59/72/10/528597210.db2.gz IUCGGSHGYXZZCG-ZDUSSCGKSA-N -1 3 304.369 3.138 10 0 DGAEHM CCC(C)(C)[C@@H]1CCCN1C(=O)c1cc(F)cc2n[n-]nc21 ZINC000328649642 528597214 /nfs/dbraw/zinc/59/72/14/528597214.db2.gz IUCGGSHGYXZZCG-ZDUSSCGKSA-N -1 3 304.369 3.138 10 0 DGAEHM CCCCc1cc(=NC(=O)c2cc([O-])c3ccccc3c2)[nH][nH]1 ZINC000438914053 546828387 /nfs/dbraw/zinc/82/83/87/546828387.db2.gz VELONVPSRMSNFY-UHFFFAOYSA-N -1 3 309.369 3.285 10 0 DGAEHM COc1ccc(NC(=O)c2cc(C3CCCCC3)[nH]n2)c([O-])c1 ZINC000443561208 546834995 /nfs/dbraw/zinc/83/49/95/546834995.db2.gz SQGACVJUAQNJMM-UHFFFAOYSA-N -1 3 315.373 3.424 10 0 DGAEHM CO[C@@H]1[C@@H](C)[C@H](NC(=O)c2cc([O-])c3ccccc3c2)C1(C)C ZINC000526921846 546968274 /nfs/dbraw/zinc/96/82/74/546968274.db2.gz MGAREMZPHGNDRQ-MZPVMMEZSA-N -1 3 313.397 3.335 10 0 DGAEHM O=C(NCCc1ccccc1O)c1cc([O-])c2ccccc2c1 ZINC000526917952 546968723 /nfs/dbraw/zinc/96/87/23/546968723.db2.gz PVJNEHWSJHOFQE-UHFFFAOYSA-N -1 3 307.349 3.224 10 0 DGAEHM O=[N+]([O-])c1ccc([N-]S(=O)(=O)/C=C\c2ccccc2)cc1 ZINC000033246741 620661110 /nfs/dbraw/zinc/66/11/10/620661110.db2.gz NVYUEKOPKWWRJJ-KHPPLWFESA-N -1 3 304.327 3.007 10 0 DGAEHM CCCCc1cc([N-]S(=O)(=O)C=Cc2ccccc2)n[nH]1 ZINC000255182857 655632065 /nfs/dbraw/zinc/63/20/65/655632065.db2.gz XGUKPUCPSGCNDT-KHPPLWFESA-N -1 3 305.403 3.165 10 0 DGAEHM CCCC[C@H](CCC)[N-]S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000176930549 655870087 /nfs/dbraw/zinc/87/00/87/655870087.db2.gz QSGHHXRLHOGDSM-NSHDSACASA-N -1 3 321.874 3.019 10 0 DGAEHM Cc1cccc(C(=O)Nc2ccccc2C(=O)NC(C)C)c1[O-] ZINC000124152044 656225881 /nfs/dbraw/zinc/22/58/81/656225881.db2.gz WWSJLGJLLQBYED-UHFFFAOYSA-N -1 3 312.369 3.091 10 0 DGAEHM C[C@@H]1C[C@@H](C(=O)[O-])CN(Cc2ncc(-c3cccc(F)c3)o2)C1 ZINC000263358387 658207013 /nfs/dbraw/zinc/20/70/13/658207013.db2.gz RKWDQVMNYFUQKU-DGCLKSJQSA-N -1 3 318.348 3.023 10 0 DGAEHM C[C@@H]1C[C@H](C(=O)[O-])CN(Cc2ncc(-c3cccc(F)c3)o2)C1 ZINC000263358389 658207455 /nfs/dbraw/zinc/20/74/55/658207455.db2.gz RKWDQVMNYFUQKU-YPMHNXCESA-N -1 3 318.348 3.023 10 0 DGAEHM CC[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)C1 ZINC000383900610 1177072030 /nfs/dbraw/zinc/07/20/30/1177072030.db2.gz MKBMQUYNXJBJIH-ZJUUUORDSA-N -1 3 320.817 3.121 10 0 DGAEHM O=C(NCC[C@@H]1CC[C@@H]2C[C@@H]21)c1cc([O-])cc(Br)c1 ZINC000717164764 1104217794 /nfs/dbraw/zinc/21/77/94/1104217794.db2.gz RSWBHPZLFWIPRJ-IMSIIYSGSA-N -1 3 324.218 3.321 10 0 DGAEHM COc1cccc([C@H]2C[C@@H]2C(=O)Nc2cccc([O-])c2F)c1 ZINC000129345360 432005127 /nfs/dbraw/zinc/00/51/27/432005127.db2.gz WJHBHZHUMWWJMF-OLZOCXBDSA-N -1 3 301.317 3.282 10 0 DGAEHM CCc1ccc([O-])c(C(=O)N2CCC[C@H](c3nccs3)C2)c1 ZINC000104117526 432014844 /nfs/dbraw/zinc/01/48/44/432014844.db2.gz UVRADOIHWANTJY-ZDUSSCGKSA-N -1 3 316.426 3.431 10 0 DGAEHM Cn1nc2c3cc(Cl)c(C(F)(F)F)cc3[n-]cc-2c1=O ZINC000072237275 191080449 /nfs/dbraw/zinc/08/04/49/191080449.db2.gz DCZPNOAJRBCISL-UHFFFAOYSA-N -1 3 301.655 3.087 10 0 DGAEHM CN1CCC[C@@H](NCc2ccc(C(=O)[O-])cc2)c2ccccc21 ZINC000263450494 282792181 /nfs/dbraw/zinc/79/21/81/282792181.db2.gz ZILKLVBHJUMFAG-QGZVFWFLSA-N -1 3 310.397 3.446 10 0 DGAEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C[C@@H](C)C(C)C)cc2)n1 ZINC000067912713 432046736 /nfs/dbraw/zinc/04/67/36/432046736.db2.gz OJCUTIORSSQALG-GFCCVEGCSA-N -1 3 313.401 3.366 10 0 DGAEHM O=[S@@](Cc1ccn(-c2ccc(F)cc2)n1)c1ccc([O-])cc1 ZINC000080140648 192004788 /nfs/dbraw/zinc/00/47/88/192004788.db2.gz HRRBCVFFFDZNHU-JOCHJYFZSA-N -1 3 316.357 3.025 10 0 DGAEHM CCc1ccc(C(=O)N2CCC[C@H](C(F)(F)F)C2)c([O-])c1 ZINC000188929547 200323834 /nfs/dbraw/zinc/32/38/34/200323834.db2.gz CULCGHDGVZOTQS-NSHDSACASA-N -1 3 301.308 3.369 10 0 DGAEHM C[C@@H]1OCCC[C@@H]1C(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000189799738 432090499 /nfs/dbraw/zinc/09/04/99/432090499.db2.gz ZTLJAQGNWUAFTC-WPRPVWTQSA-N -1 3 303.280 3.165 10 0 DGAEHM O=C(NCCCc1ccccn1)c1cc([O-])ccc1C(F)(F)F ZINC000193613234 201086244 /nfs/dbraw/zinc/08/62/44/201086244.db2.gz UVZFXIPSGQEQIK-UHFFFAOYSA-N -1 3 324.302 3.169 10 0 DGAEHM COc1ccc2c(c1)CCN2C(=O)c1c[n-]nc1-c1ccccc1 ZINC000195103772 201340108 /nfs/dbraw/zinc/34/01/08/201340108.db2.gz XHNUSZUTFNLDQK-UHFFFAOYSA-N -1 3 319.364 3.288 10 0 DGAEHM C[C@H]1c2ccccc2O[C@H]1C(=O)N1CCCc2cccc([O-])c21 ZINC000182927788 291321888 /nfs/dbraw/zinc/32/18/88/291321888.db2.gz DFRVUHVJKNZXIE-KPZWWZAWSA-N -1 3 309.365 3.236 10 0 DGAEHM C[C@H]1c2cccn2CCN1C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000184968528 291323826 /nfs/dbraw/zinc/32/38/26/291323826.db2.gz IAAJLXMHMJCPQM-ZDUSSCGKSA-N -1 3 310.397 3.290 10 0 DGAEHM COCc1ccsc1C(=O)[N-]c1nnc(C(F)(F)F)s1 ZINC000180859412 432105028 /nfs/dbraw/zinc/10/50/28/432105028.db2.gz FGSZYIGUQPSHFP-UHFFFAOYSA-N -1 3 323.321 3.017 10 0 DGAEHM Cc1nc2cc([N-]S(=O)(=O)Cc3cccc(F)c3)ccc2o1 ZINC000135295485 432110266 /nfs/dbraw/zinc/11/02/66/432110266.db2.gz BKJIQPXAORARIT-UHFFFAOYSA-N -1 3 320.345 3.217 10 0 DGAEHM C[C@H](NCc1cc(=O)[n-]c(C2CC2)n1)c1ccc(F)cc1F ZINC000459391559 243356794 /nfs/dbraw/zinc/35/67/94/243356794.db2.gz VCRULFPOEPNXAQ-VIFPVBQESA-N -1 3 305.328 3.189 10 0 DGAEHM CSCCCC(=O)Nc1cc(Br)ccc1[O-] ZINC000126435389 284304995 /nfs/dbraw/zinc/30/49/95/284304995.db2.gz BRXGOCZSRZCZSH-UHFFFAOYSA-N -1 3 304.209 3.236 10 0 DGAEHM CO[C@H](C)c1nc(C)c(C(=O)Nc2cccc([O-])c2F)s1 ZINC000129381471 284407848 /nfs/dbraw/zinc/40/78/48/284407848.db2.gz VTDPOMJQROKWHK-MRVPVSSYSA-N -1 3 310.350 3.256 10 0 DGAEHM CC(C)c1ccccc1[N-]S(=O)(=O)c1cccc(CN)c1 ZINC000019997190 182175487 /nfs/dbraw/zinc/17/54/87/182175487.db2.gz YUQPWKLNUYNIQS-UHFFFAOYSA-N -1 3 304.415 3.070 10 0 DGAEHM CC(C)c1noc2ncc(C(=O)Nc3cccc([O-])c3F)cc21 ZINC000129688392 284420036 /nfs/dbraw/zinc/42/00/36/284420036.db2.gz IQMXZHFPUAEXPJ-UHFFFAOYSA-N -1 3 315.304 3.443 10 0 DGAEHM CC[C@@H](C)C(=O)Nc1ccc(NC(=O)c2ccco2)cc1[O-] ZINC000021126101 182265799 /nfs/dbraw/zinc/26/57/99/182265799.db2.gz DCWQVCGOGOAAGO-SNVBAGLBSA-N -1 3 302.330 3.222 10 0 DGAEHM Cc1cc(S(=O)(=O)[N-]c2cc(F)ccc2F)c(C)s1 ZINC000024070183 182374565 /nfs/dbraw/zinc/37/45/65/182374565.db2.gz FDFXTNWFQMPNDI-UHFFFAOYSA-N -1 3 303.355 3.444 10 0 DGAEHM Nc1c([N-]c2nccs2)ncnc1Nc1ccc(Cl)cn1 ZINC000040779322 183133273 /nfs/dbraw/zinc/13/32/73/183133273.db2.gz YKYLFVHKVNXAJP-UHFFFAOYSA-N -1 3 319.781 3.051 10 0 DGAEHM Nc1c([N-]c2nccs2)ncnc1Sc1ccccc1 ZINC000040780819 183133330 /nfs/dbraw/zinc/13/33/30/183133330.db2.gz XYSXXCDMQAHAPC-UHFFFAOYSA-N -1 3 301.400 3.410 10 0 DGAEHM CO[N-]C(=O)Cc1c(Br)oc2cc(C)cc(C)c21 ZINC000040803387 183136168 /nfs/dbraw/zinc/13/61/68/183136168.db2.gz QFBWTLBDFJPMLS-UHFFFAOYSA-N -1 3 312.163 3.032 10 0 DGAEHM Cc1ccc(C(=O)N2C[C@@H](c3ccccc3)OC[C@H]2C)c([O-])c1 ZINC000110315330 194321761 /nfs/dbraw/zinc/32/17/61/194321761.db2.gz NALUFAJLCKXSFX-KDOFPFPSSA-N -1 3 311.381 3.303 10 0 DGAEHM O=C([O-])C[C@H](c1cccc(Br)c1)N1CCCCC1 ZINC000057656259 184044434 /nfs/dbraw/zinc/04/44/34/184044434.db2.gz GMWOCHRCTYBXSL-CYBMUJFWSA-N -1 3 312.207 3.451 10 0 DGAEHM CCN(Cc1ccccc1Br)[C@H](C)CC(=O)[O-] ZINC000061183319 184165207 /nfs/dbraw/zinc/16/52/07/184165207.db2.gz OVHNNOJLUCRVOA-SNVBAGLBSA-N -1 3 300.196 3.134 10 0 DGAEHM Cc1cc(=O)[n-]c([C@@H](C)N2CC[C@@H](C(F)(F)F)C(C)(C)C2)n1 ZINC000248726906 285020383 /nfs/dbraw/zinc/02/03/83/285020383.db2.gz ILILNYJSQSDUEV-GHMZBOCLSA-N -1 3 317.355 3.462 10 0 DGAEHM COc1cccc(C(=O)Nc2cc(-c3ccccc3)on2)c1[O-] ZINC000175866475 533418106 /nfs/dbraw/zinc/41/81/06/533418106.db2.gz YZHLPAQKXQUWMZ-UHFFFAOYSA-N -1 3 310.309 3.308 10 0 DGAEHM COc1cccc(C(=O)Nc2ccc3ncsc3c2)c1[O-] ZINC000192680552 533420227 /nfs/dbraw/zinc/42/02/27/533420227.db2.gz TXWMBEVWGBFCPW-UHFFFAOYSA-N -1 3 300.339 3.263 10 0 DGAEHM O=C(NCc1c(F)cccc1OC(F)F)c1cccc([O-])c1 ZINC000357374677 285737988 /nfs/dbraw/zinc/73/79/88/285737988.db2.gz OBTKUVHUIBEZMB-UHFFFAOYSA-N -1 3 311.259 3.063 10 0 DGAEHM O=C([O-])c1cccc([C@H]2COCCCN2Cc2ccccc2)c1 ZINC000616645779 400192562 /nfs/dbraw/zinc/19/25/62/400192562.db2.gz CHDROXVLTQKZAD-GOSISDBHSA-N -1 3 311.381 3.348 10 0 DGAEHM Nc1ccc([N-]S(=O)(=O)c2ccccc2Cl)c(Cl)c1 ZINC000034957257 400386368 /nfs/dbraw/zinc/38/63/68/400386368.db2.gz IWQPZHJHQKJQMH-UHFFFAOYSA-N -1 3 317.197 3.376 10 0 DGAEHM C[C@]12CC[C@@H]3c4ccc([O-])c(C=O)c4CC[C@H]3[C@@H]1CC[C@@H]2O ZINC000034644513 400386911 /nfs/dbraw/zinc/38/69/11/400386911.db2.gz GUJSHAHJIQWGNF-AFTVQHQSSA-N -1 3 300.398 3.422 10 0 DGAEHM CCCCOc1ccc(NC(=O)c2ccc3n[n-]nc3c2)cc1 ZINC000115659156 400399250 /nfs/dbraw/zinc/39/92/50/400399250.db2.gz JBSHRNOTJWPJDJ-UHFFFAOYSA-N -1 3 310.357 3.389 10 0 DGAEHM COc1ccc([C@@H](C)NC(=O)c2ccc(C)cc2[O-])cc1OC ZINC000045486037 400524285 /nfs/dbraw/zinc/52/42/85/400524285.db2.gz CSHKGIGHVXQQGM-GFCCVEGCSA-N -1 3 315.369 3.209 10 0 DGAEHM CC(C)Oc1ccc(F)cc1NC(=O)c1ccc2n[n-]nc2c1 ZINC000170776646 400773795 /nfs/dbraw/zinc/77/37/95/400773795.db2.gz JFKQSOVISQARRZ-UHFFFAOYSA-N -1 3 314.320 3.137 10 0 DGAEHM CC(C)C[C@H](C(=O)[O-])N(C)Cc1ccccc1Br ZINC000222243202 400954000 /nfs/dbraw/zinc/95/40/00/400954000.db2.gz FIHJIWHGHFJGCX-CYBMUJFWSA-N -1 3 314.223 3.380 10 0 DGAEHM O=C(NC[C@@H]1CCCC12CC2)c1cc([O-])cc(Br)c1 ZINC000629828387 401094303 /nfs/dbraw/zinc/09/43/03/401094303.db2.gz WKFCQMXZRFMPNP-NSHDSACASA-N -1 3 324.218 3.465 10 0 DGAEHM CC(C)(C)c1nnsc1C(=O)Nc1ccc([O-])cc1Cl ZINC000087454497 401193446 /nfs/dbraw/zinc/19/34/46/401193446.db2.gz ARWBYAMSVQACHC-UHFFFAOYSA-N -1 3 311.794 3.447 10 0 DGAEHM CC[C@@](C)(NC(=O)c1cc([O-])cc(Br)c1)C1CC1 ZINC000628106021 401524950 /nfs/dbraw/zinc/52/49/50/401524950.db2.gz UMJMVBVPEDLOOA-CQSZACIVSA-N -1 3 312.207 3.463 10 0 DGAEHM O=C(c1cccc([O-])c1)N1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000359482390 286317729 /nfs/dbraw/zinc/31/77/29/286317729.db2.gz SSTLFVVMQOWMPG-INIZCTEOSA-N -1 3 317.772 3.339 10 0 DGAEHM O=C(c1cc([O-])c2ccccc2c1)N1CCC[C@@H](n2ccnc2)C1 ZINC000365546684 287144615 /nfs/dbraw/zinc/14/46/15/287144615.db2.gz MLOABMMHMYJRDQ-MRXNPFEDSA-N -1 3 321.380 3.219 10 0 DGAEHM O=C(c1cc2ccccc2cc1[O-])N1CCCC[C@H]1c1nc[nH]n1 ZINC000182105528 432158043 /nfs/dbraw/zinc/15/80/43/432158043.db2.gz MCLJVNUVBUJGCS-HNNXBMFYSA-N -1 3 322.368 3.031 10 0 DGAEHM O=C(c1cc2ccccc2cc1[O-])N1CCCC[C@H]1c1nnc[nH]1 ZINC000182105528 432158046 /nfs/dbraw/zinc/15/80/46/432158046.db2.gz MCLJVNUVBUJGCS-HNNXBMFYSA-N -1 3 322.368 3.031 10 0 DGAEHM O=C(c1cccc([O-])c1)N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000182326303 432178541 /nfs/dbraw/zinc/17/85/41/432178541.db2.gz WNIXPYXSFUWFSZ-HNNXBMFYSA-N -1 3 311.337 3.098 10 0 DGAEHM COCc1csc([N-]C(=O)c2cc(-c3cccs3)on2)n1 ZINC000172257534 432204966 /nfs/dbraw/zinc/20/49/66/432204966.db2.gz ULDXCAWLEISYBQ-UHFFFAOYSA-N -1 3 321.383 3.258 10 0 DGAEHM C[C@@H](C(=O)N1CC[C@@H](C)c2cccc([O-])c21)C1CCOCC1 ZINC000186321861 263654960 /nfs/dbraw/zinc/65/49/60/263654960.db2.gz UOTKTVGTDRFDKL-CHWSQXEVSA-N -1 3 303.402 3.295 10 0 DGAEHM Cc1cc([C@@H]2CN(C(=O)c3cccc([O-])c3)CCO2)ccc1F ZINC000182956308 432245300 /nfs/dbraw/zinc/24/53/00/432245300.db2.gz HQBLQXZWWHAMAV-KRWDZBQOSA-N -1 3 315.344 3.053 10 0 DGAEHM COc1nnc(NC(=O)c2oc3c(ccc4ccccc34)c2C)[n-]1 ZINC000179365760 274168392 /nfs/dbraw/zinc/16/83/92/274168392.db2.gz LCVGTMRFLOZHEC-UHFFFAOYSA-N -1 3 322.324 3.273 10 0 DGAEHM COc1nc(NC(=O)c2oc3c(ccc4ccccc34)c2C)n[n-]1 ZINC000179365760 274168394 /nfs/dbraw/zinc/16/83/94/274168394.db2.gz LCVGTMRFLOZHEC-UHFFFAOYSA-N -1 3 322.324 3.273 10 0 DGAEHM COc1n[n-]c(NC(=O)c2oc3c(ccc4ccccc34)c2C)n1 ZINC000179365760 274168396 /nfs/dbraw/zinc/16/83/96/274168396.db2.gz LCVGTMRFLOZHEC-UHFFFAOYSA-N -1 3 322.324 3.273 10 0 DGAEHM COc1ccc(/C=C2/Oc3c(ccc([O-])c3C)C2=O)cc1OC ZINC000002131791 277867914 /nfs/dbraw/zinc/86/79/14/277867914.db2.gz HOULNYCCAXFRNL-CXUHLZMHSA-N -1 3 312.321 3.334 10 0 DGAEHM CC(C)c1ccc(NC(=O)C[S@](=O)c2ccc([O-])cc2)cc1 ZINC000108086427 431118288 /nfs/dbraw/zinc/11/82/88/431118288.db2.gz UJTDKLYROBMLNV-JOCHJYFZSA-N -1 3 317.410 3.262 10 0 DGAEHM Cc1[nH]c2ccc(C(=O)[O-])cc2c(=O)c1CN1CCCC[C@H]1C ZINC000008713953 431405449 /nfs/dbraw/zinc/40/54/49/431405449.db2.gz KQHZXSONNGYTAZ-LLVKDONJSA-N -1 3 314.385 3.321 10 0 DGAEHM COc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3ccccc3[O-])C2)cc1 ZINC000078187868 431648149 /nfs/dbraw/zinc/64/81/49/431648149.db2.gz MUWFMGSAUCOXON-UKRRQHHQSA-N -1 3 311.381 3.419 10 0 DGAEHM COc1ccc([O-])c(C(=O)N[C@@H](C)c2ccc(OC)c(F)c2)c1 ZINC000078441781 431668469 /nfs/dbraw/zinc/66/84/69/431668469.db2.gz QISOAVMPPGZGLO-JTQLQIEISA-N -1 3 319.332 3.040 10 0 DGAEHM CC(C)c1cc(NC(=O)c2c[n-]nc2-c2ccc(F)cc2)n[nH]1 ZINC000078480443 431675051 /nfs/dbraw/zinc/67/50/51/431675051.db2.gz GWNVUUXZJYVIJC-UHFFFAOYSA-N -1 3 313.336 3.315 10 0 DGAEHM CC[C@H](CC(=O)Nc1cc(-c2nccn2C)[n-]n1)c1ccccc1 ZINC000119545251 431708430 /nfs/dbraw/zinc/70/84/30/431708430.db2.gz GZQLQBKIUMUOOM-CYBMUJFWSA-N -1 3 323.400 3.333 10 0 DGAEHM CC[C@H](CC(=O)Nc1cc(-c2nccn2C)n[n-]1)c1ccccc1 ZINC000119545251 431708434 /nfs/dbraw/zinc/70/84/34/431708434.db2.gz GZQLQBKIUMUOOM-CYBMUJFWSA-N -1 3 323.400 3.333 10 0 DGAEHM Cc1cccc(C(=O)NCc2ccccc2Br)c1[O-] ZINC000042354960 431864142 /nfs/dbraw/zinc/86/41/42/431864142.db2.gz MVESHWULFOPSEG-UHFFFAOYSA-N -1 3 320.186 3.393 10 0 DGAEHM COC(=O)c1ccc(F)c([N-]C(=O)c2scnc2C2CC2)c1 ZINC000089750274 431877296 /nfs/dbraw/zinc/87/72/96/431877296.db2.gz SIDIOXPNZMYWBK-UHFFFAOYSA-N -1 3 320.345 3.199 10 0 DGAEHM CC1(C)C[C@H](NC(=O)/C=C/c2cncc([O-])c2)c2ccccc2O1 ZINC000182110871 281336829 /nfs/dbraw/zinc/33/68/29/281336829.db2.gz VSGPTVQVMHMGAX-WAVCKPEOSA-N -1 3 324.380 3.219 10 0 DGAEHM COc1ccc2c(CC(=O)Nc3ccc([O-])cc3F)coc2c1 ZINC000183252979 432274643 /nfs/dbraw/zinc/27/46/43/432274643.db2.gz JGERXDVOOWVZMX-UHFFFAOYSA-N -1 3 315.300 3.467 10 0 DGAEHM CCc1ccc([O-])c(C(=O)N2CC[C@H](C(F)(F)F)[C@@H]2C)c1 ZINC000473385552 281409028 /nfs/dbraw/zinc/40/90/28/281409028.db2.gz FPFHRDDNGSAIOI-CABZTGNLSA-N -1 3 301.308 3.368 10 0 DGAEHM C[C@@H]1CCN(C(=O)c2ccc3c(c2[O-])CCCC3)CCS1 ZINC000191941345 432315524 /nfs/dbraw/zinc/31/55/24/432315524.db2.gz GIGFWFHRPHJLJO-GFCCVEGCSA-N -1 3 305.443 3.239 10 0 DGAEHM O=C(C[C@@H]1CCOc2ccccc21)Nc1cc(F)ccc1[O-] ZINC000174886577 432376613 /nfs/dbraw/zinc/37/66/13/432376613.db2.gz LAAMZGNXGQSIHT-NSHDSACASA-N -1 3 301.317 3.426 10 0 DGAEHM CC(=O)N1CCC(CCC(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000175615388 432451895 /nfs/dbraw/zinc/45/18/95/432451895.db2.gz ZYVROLVVBXBGDJ-UHFFFAOYSA-N -1 3 324.808 3.023 10 0 DGAEHM CCCc1cc(NC(=O)c2cc([O-])ccc2C(F)(F)F)n[nH]1 ZINC000193212964 432458387 /nfs/dbraw/zinc/45/83/87/432458387.db2.gz KPWGWJPOTWVFPT-UHFFFAOYSA-N -1 3 313.279 3.339 10 0 DGAEHM CC(C)c1cnc(CN2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])s1 ZINC000263512249 432551274 /nfs/dbraw/zinc/55/12/74/432551274.db2.gz NSDWHNCJPWIPHN-XQQFMLRXSA-N -1 3 308.447 3.484 10 0 DGAEHM CCc1ccc([C@@H]2CCCCN2C(=O)c2cccc3[n-]nnc32)o1 ZINC000188139015 432708274 /nfs/dbraw/zinc/70/82/74/432708274.db2.gz HXPKUQSJTALYBY-HNNXBMFYSA-N -1 3 324.384 3.481 10 0 DGAEHM CCc1ccc([C@@H]2CCCCN2C(=O)c2cccc3nn[n-]c32)o1 ZINC000188139015 432708277 /nfs/dbraw/zinc/70/82/77/432708277.db2.gz HXPKUQSJTALYBY-HNNXBMFYSA-N -1 3 324.384 3.481 10 0 DGAEHM CCc1ccc([C@@H]2CCCCN2C(=O)c2cccc3n[n-]nc32)o1 ZINC000188139015 432708283 /nfs/dbraw/zinc/70/82/83/432708283.db2.gz HXPKUQSJTALYBY-HNNXBMFYSA-N -1 3 324.384 3.481 10 0 DGAEHM COc1cccc([C@H]2C[C@@H]2C(=O)Nc2cc(F)ccc2[O-])c1 ZINC000178327093 432721653 /nfs/dbraw/zinc/72/16/53/432721653.db2.gz QRULXLGRXYVVGI-KGLIPLIRSA-N -1 3 301.317 3.282 10 0 DGAEHM Cc1cccc(CNC(=O)c2cc([O-])ccc2C(F)(F)F)n1 ZINC000189175465 432768418 /nfs/dbraw/zinc/76/84/18/432768418.db2.gz GHQCNFANNFGVHQ-UHFFFAOYSA-N -1 3 310.275 3.044 10 0 DGAEHM FC(F)(F)c1nc2ncc(Br)c(Cl)c2[n-]1 ZINC000238515127 432814645 /nfs/dbraw/zinc/81/46/45/432814645.db2.gz RNXAADKQJABPDU-UHFFFAOYSA-N -1 3 300.465 3.393 10 0 DGAEHM FC(F)(F)c1nc2[n-]cc(Br)c(Cl)c-2n1 ZINC000238515127 432814647 /nfs/dbraw/zinc/81/46/47/432814647.db2.gz RNXAADKQJABPDU-UHFFFAOYSA-N -1 3 300.465 3.393 10 0 DGAEHM FC(F)(F)c1nc2c([n-]1)ncc(Br)c2Cl ZINC000238515127 432814650 /nfs/dbraw/zinc/81/46/50/432814650.db2.gz RNXAADKQJABPDU-UHFFFAOYSA-N -1 3 300.465 3.393 10 0 DGAEHM CC(=O)c1ccc(C(=O)N2CC[C@@](C)(c3ccccc3)C2)cc1[O-] ZINC000412177080 433087981 /nfs/dbraw/zinc/08/79/81/433087981.db2.gz UHNVCBNYCNGLEX-HXUWFJFHSA-N -1 3 323.392 3.399 10 0 DGAEHM C[C@@H]1CCCN(Cc2ccccc2Br)[C@H]1C(=O)[O-] ZINC000300269861 433394680 /nfs/dbraw/zinc/39/46/80/433394680.db2.gz FFCBXNUTYBPNJT-ZWNOBZJWSA-N -1 3 312.207 3.134 10 0 DGAEHM O=C(c1cc([O-])c2ccccc2c1)N1CCC[C@H]1c1cc[nH]n1 ZINC000376141613 293619392 /nfs/dbraw/zinc/61/93/92/293619392.db2.gz NMSJUVGSEKENLC-INIZCTEOSA-N -1 3 307.353 3.246 10 0 DGAEHM [O-]c1ccccc1-c1nc(CSc2ccc(Cl)nn2)no1 ZINC000362860169 433888486 /nfs/dbraw/zinc/88/84/86/433888486.db2.gz JWHJUCDYRIODSF-UHFFFAOYSA-N -1 3 320.761 3.178 10 0 DGAEHM CCO[C@@H]1C[C@H](N(C)C(=O)c2cccc([O-])c2)C1(CC)CC ZINC000357306598 433946638 /nfs/dbraw/zinc/94/66/38/433946638.db2.gz KWNBLUGDSMOIHU-JKSUJKDBSA-N -1 3 305.418 3.448 10 0 DGAEHM CCOc1nc2cc(C(=O)N[C@@H]3CCCC(F)(F)C3)ccc2[n-]1 ZINC000450155037 434002247 /nfs/dbraw/zinc/00/22/47/434002247.db2.gz GBFPARXXTZZSFX-LLVKDONJSA-N -1 3 323.343 3.269 10 0 DGAEHM CCOc1nc2ccc(C(=O)N[C@@H]3CCCC(F)(F)C3)cc2[n-]1 ZINC000450155037 434002252 /nfs/dbraw/zinc/00/22/52/434002252.db2.gz GBFPARXXTZZSFX-LLVKDONJSA-N -1 3 323.343 3.269 10 0 DGAEHM Cc1nc(SCc2noc(-c3ccccc3[O-])n2)[nH]c1C ZINC000436706408 434076492 /nfs/dbraw/zinc/07/64/92/434076492.db2.gz PLQNTBRZEATUPR-UHFFFAOYSA-N -1 3 302.359 3.074 10 0 DGAEHM O=C(N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1)c1cccc([O-])c1 ZINC000437381476 434258701 /nfs/dbraw/zinc/25/87/01/434258701.db2.gz FJQRRLGHAPXEFP-SMDDNHRTSA-N -1 3 307.271 3.095 10 0 DGAEHM COC[C@@H](C)Nc1ccccc1NC(=O)c1cccc([O-])c1 ZINC000437586372 434297318 /nfs/dbraw/zinc/29/73/18/434297318.db2.gz CWNPVNBZROOKMH-GFCCVEGCSA-N -1 3 300.358 3.091 10 0 DGAEHM C[C@@H](NCc1cc(Cl)ccc1Br)[C@H](C)C(=O)[O-] ZINC000417607286 434461221 /nfs/dbraw/zinc/46/12/21/434461221.db2.gz GVVFBRIPRZEXBQ-JGVFFNPUSA-N -1 3 320.614 3.301 10 0 DGAEHM CC1(C)CCC(CC(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)CC1 ZINC000525966968 295046088 /nfs/dbraw/zinc/04/60/88/295046088.db2.gz HVWAKLYARRPMSE-AWEZNQCLSA-N -1 3 305.422 3.228 10 0 DGAEHM CC(C)c1nc2c([nH]1)C[C@@H](C(=O)Nc1ccc(F)cc1[O-])CC2 ZINC000526009485 295050991 /nfs/dbraw/zinc/05/09/91/295050991.db2.gz UAXRDCYBSVXURM-JTQLQIEISA-N -1 3 317.364 3.121 10 0 DGAEHM CC(C)c1nc2c([nH]1)CC[C@H](C(=O)Nc1ccc(F)cc1[O-])C2 ZINC000526009485 295050992 /nfs/dbraw/zinc/05/09/92/295050992.db2.gz UAXRDCYBSVXURM-JTQLQIEISA-N -1 3 317.364 3.121 10 0 DGAEHM CCc1cccc(C(=O)N2CC[C@@H](C(F)(F)F)[C@@H]2C)c1[O-] ZINC000527473838 295098110 /nfs/dbraw/zinc/09/81/10/295098110.db2.gz KBLBSZRIVDHFBH-JOYOIKCWSA-N -1 3 301.308 3.368 10 0 DGAEHM CC(=O)c1ccc(C(=O)N2CC[C@@]3(CC[C@@H](C)C3)C2)cc1[O-] ZINC000408466256 434578353 /nfs/dbraw/zinc/57/83/53/434578353.db2.gz KZZFSSWBNTWTJL-KZULUSFZSA-N -1 3 301.386 3.247 10 0 DGAEHM CC(=O)c1ccsc1[N-]C(=O)c1ncoc1[C@H]1CCCO1 ZINC000410894972 434688119 /nfs/dbraw/zinc/68/81/19/434688119.db2.gz DQBFHMXPBOLASN-SNVBAGLBSA-N -1 3 306.343 3.043 10 0 DGAEHM Nc1cnc(-c2nc(=O)c3cc(-c4ccccc4)sc3[n-]2)cn1 ZINC000554400419 434927009 /nfs/dbraw/zinc/92/70/09/434927009.db2.gz USHKQJZOGOXYDY-UHFFFAOYSA-N -1 3 321.365 3.103 10 0 DGAEHM COC(=O)Cc1c([O-])cc(C(F)(F)F)cc1C(F)(F)F ZINC000575340530 435031125 /nfs/dbraw/zinc/03/11/25/435031125.db2.gz KBVIPIUOMOTQQL-UHFFFAOYSA-N -1 3 302.170 3.145 10 0 DGAEHM CC(=O)c1cccc(NC(=O)c2coc(C3CCCC3)n2)c1[O-] ZINC000556893046 435037257 /nfs/dbraw/zinc/03/72/57/435037257.db2.gz QHCMBLPLQWVMFV-UHFFFAOYSA-N -1 3 314.341 3.493 10 0 DGAEHM [O-]c1cc(I)c(F)cc1OC(F)(F)F ZINC000575707042 435049416 /nfs/dbraw/zinc/04/94/16/435049416.db2.gz HOOBUINIHOPPGJ-UHFFFAOYSA-N -1 3 321.995 3.035 10 0 DGAEHM COc1cccc(C[C@H]2CCCN2C(=O)c2cccc([O-])c2)c1 ZINC000540961946 435629230 /nfs/dbraw/zinc/62/92/30/435629230.db2.gz JHGBJYOMPSQDEH-MRXNPFEDSA-N -1 3 311.381 3.248 10 0 DGAEHM C[C@@H]1C[C@@H]1CNC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000548362010 435684886 /nfs/dbraw/zinc/68/48/86/435684886.db2.gz PVGLVPHTESZFED-MLGOLLRUSA-N -1 3 309.365 3.009 10 0 DGAEHM O=C(Nc1ccc(Cl)cc1[O-])[C@@H]1CCCN1c1nccs1 ZINC000179638247 312811782 /nfs/dbraw/zinc/81/17/82/312811782.db2.gz LJOOHSKFXZAPLE-NSHDSACASA-N -1 3 323.805 3.110 10 0 DGAEHM O=C(c1cc([O-])c2ccccc2c1)N1CC[C@@H]2OCCC[C@@H]2C1 ZINC000376431489 312948338 /nfs/dbraw/zinc/94/83/38/312948338.db2.gz BIOXQZDFQCYDCM-KDOFPFPSSA-N -1 3 311.381 3.187 10 0 DGAEHM O=C(NCCC1=CCCC1)c1cc([O-])cc(Br)c1 ZINC000528895843 313107833 /nfs/dbraw/zinc/10/78/33/313107833.db2.gz YGIODGMFZCESMU-UHFFFAOYSA-N -1 3 310.191 3.385 10 0 DGAEHM CC(=O)c1cccc(NC(=O)[C@H]2CC(C)(C)OC2(C)C)c1[O-] ZINC000529388509 313184584 /nfs/dbraw/zinc/18/45/84/313184584.db2.gz PDIICSFHIRKBAW-GFCCVEGCSA-N -1 3 305.374 3.127 10 0 DGAEHM CSc1nc([O-])c(C(=O)Nc2cccc3cc[nH]c32)cc1C#N ZINC000547497517 314373410 /nfs/dbraw/zinc/37/34/10/314373410.db2.gz UUNOMXSLIZULEL-UHFFFAOYSA-N -1 3 324.365 3.114 10 0 DGAEHM c1csc([C@@H](CN=c2[n-]c(C3CCC3)no2)N2CCCC2)c1 ZINC000566837228 315377026 /nfs/dbraw/zinc/37/70/26/315377026.db2.gz LAVXMXSQHDALLQ-CYBMUJFWSA-N -1 3 318.446 3.070 10 0 DGAEHM CC(=O)c1cccc(NC(=O)CC2(C(F)(F)F)CC2)c1[O-] ZINC000571286053 315710544 /nfs/dbraw/zinc/71/05/44/315710544.db2.gz KZGHJVRBPRCZIX-UHFFFAOYSA-N -1 3 301.264 3.266 10 0 DGAEHM Cc1[nH]c2ccc(C(=O)N=c3cc([C@@H]4CCCO4)[n-][nH]3)cc2c1C ZINC000575849614 316068269 /nfs/dbraw/zinc/06/82/69/316068269.db2.gz IPMYZUAHSUCNIE-INIZCTEOSA-N -1 3 324.384 3.034 10 0 DGAEHM Cc1[nH]c2ccc(C(=O)N=c3cc([C@H]4CCCO4)[n-][nH]3)cc2c1C ZINC000575849615 316068519 /nfs/dbraw/zinc/06/85/19/316068519.db2.gz IPMYZUAHSUCNIE-MRXNPFEDSA-N -1 3 324.384 3.034 10 0 DGAEHM CC(=O)c1c(C)cc(C)c(CN2CC[C@@H](C)[C@H](C(=O)[O-])C2)c1C ZINC000580893381 324050318 /nfs/dbraw/zinc/05/03/18/324050318.db2.gz XBUHIZYCDYDOOE-PIGZYNQJSA-N -1 3 317.429 3.357 10 0 DGAEHM CCN(C(=O)NCc1ccc([O-])c(F)c1)[C@@H](C)c1cccnc1 ZINC000163656522 519971435 /nfs/dbraw/zinc/97/14/35/519971435.db2.gz XXRWOJBXUWQAMV-LBPRGKRZSA-N -1 3 317.364 3.219 10 0 DGAEHM CCc1ccc([O-])c(C(=O)N2CCO[C@@H](c3ccsc3)C2)c1 ZINC000163402416 523998283 /nfs/dbraw/zinc/99/82/83/523998283.db2.gz LPABLAKGMLAJPA-MRXNPFEDSA-N -1 3 317.410 3.230 10 0 DGAEHM CC(C)(C)C[C@@H]1CCCN1C(=O)c1cc(F)cc2[n-]nnc21 ZINC000328655681 527697827 /nfs/dbraw/zinc/69/78/27/527697827.db2.gz NBBMCCCBDFMMDA-NSHDSACASA-N -1 3 304.369 3.138 10 0 DGAEHM CC(C)(C)C[C@@H]1CCCN1C(=O)c1cc(F)cc2nn[n-]c21 ZINC000328655681 527697831 /nfs/dbraw/zinc/69/78/31/527697831.db2.gz NBBMCCCBDFMMDA-NSHDSACASA-N -1 3 304.369 3.138 10 0 DGAEHM CC(C)(C)C[C@@H]1CCCN1C(=O)c1cc(F)cc2n[n-]nc21 ZINC000328655681 527697832 /nfs/dbraw/zinc/69/78/32/527697832.db2.gz NBBMCCCBDFMMDA-NSHDSACASA-N -1 3 304.369 3.138 10 0 DGAEHM COCc1csc(NC(=O)c2ccc3c(c2[O-])CCCC3)n1 ZINC000186411630 546194317 /nfs/dbraw/zinc/19/43/17/546194317.db2.gz JRIUWMIOEXEIMF-UHFFFAOYSA-N -1 3 318.398 3.126 10 0 DGAEHM COc1ccc(NC(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)c([O-])c1 ZINC000443558658 546834976 /nfs/dbraw/zinc/83/49/76/546834976.db2.gz MOWMZSNTDHZKDD-AAEUAGOBSA-N -1 3 319.307 3.421 10 0 DGAEHM COc1ccc(NC(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)c([O-])c1 ZINC000443558665 546835515 /nfs/dbraw/zinc/83/55/15/546835515.db2.gz MOWMZSNTDHZKDD-WCQYABFASA-N -1 3 319.307 3.421 10 0 DGAEHM CO[C@]1(C)C[C@H](NC(=O)c2cc([O-])c3ccccc3c2)C1(C)C ZINC000527467342 546970942 /nfs/dbraw/zinc/97/09/42/546970942.db2.gz NRHKQPQCDJJZEQ-QFBILLFUSA-N -1 3 313.397 3.479 10 0 DGAEHM Cc1ccc2[nH]cc(CCC(=O)[N-]OCc3cccnc3)c2c1 ZINC000152384273 620503530 /nfs/dbraw/zinc/50/35/30/620503530.db2.gz JERUBKSVRITQAQ-UHFFFAOYSA-N -1 3 309.369 3.052 10 0 DGAEHM O=c1cc(C2CCC2)nc(-c2ccc(Br)cc2)[n-]1 ZINC000536959029 658652020 /nfs/dbraw/zinc/65/20/20/658652020.db2.gz NAKOVPGWVXMRMR-UHFFFAOYSA-N -1 3 305.175 3.467 10 0 DGAEHM C[C@@H]1CCC[C@@H](CC[N-]S(=O)(=O)c2cccnc2Cl)C1 ZINC000070548355 660065424 /nfs/dbraw/zinc/06/54/24/660065424.db2.gz QJYKHYDCEXQFEX-NEPJUHHUSA-N -1 3 316.854 3.230 10 0 DGAEHM CCN(Cc1cocn1)Cc1cc(Br)ccc1[O-] ZINC000191949059 662084471 /nfs/dbraw/zinc/08/44/71/662084471.db2.gz MDOLDFHTSJPZAG-UHFFFAOYSA-N -1 3 311.179 3.165 10 0 DGAEHM COc1ccc(/C(C)=C\C(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000255540556 1203846629 /nfs/dbraw/zinc/84/66/29/1203846629.db2.gz CCIGMWAYRNYAAL-XFXZXTDPSA-N -1 3 315.344 3.260 10 0 DGAEHM O=C([O-])CC[C@@H](Cc1ccccc1)[NH2+]Cc1cc([O-])cc(F)c1 ZINC000263469312 1204336219 /nfs/dbraw/zinc/33/62/19/1204336219.db2.gz DFEFPJHDANOKJQ-INIZCTEOSA-N -1 3 317.360 3.097 10 0 DGAEHM CCc1[n-][nH]c(=NC(=O)C2CCC(C(F)(F)F)CC2)c1C ZINC000444798509 529460382 /nfs/dbraw/zinc/46/03/82/529460382.db2.gz GEHZFZSQIHYRJF-UHFFFAOYSA-N -1 3 303.328 3.010 10 0 DGAEHM O=S(=O)([N-]C[C@@H]1C[C@@H]1c1ccccc1)c1cc(F)cc(F)c1 ZINC000111358650 185587911 /nfs/dbraw/zinc/58/79/11/185587911.db2.gz USWGDJMPJUQOEE-BLLLJJGKSA-N -1 3 323.364 3.047 10 0 DGAEHM COc1cccc(C(=O)Nc2cccc(OC(F)F)c2)c1[O-] ZINC000130184572 432016984 /nfs/dbraw/zinc/01/69/84/432016984.db2.gz KGKILVJWHSDZGQ-UHFFFAOYSA-N -1 3 309.268 3.255 10 0 DGAEHM CN(C)[C@@H](Cc1ccccc1)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000106910395 432025282 /nfs/dbraw/zinc/02/52/82/432025282.db2.gz AMBPPZDLRTUCFC-HNNXBMFYSA-N -1 3 318.804 3.157 10 0 DGAEHM C[C@]1(C(=O)NCc2ccc([O-])c(F)c2)CCCc2ccccc21 ZINC000132673183 432052728 /nfs/dbraw/zinc/05/27/28/432052728.db2.gz FJYUTNUQMCASGF-IBGZPJMESA-N -1 3 313.372 3.442 10 0 DGAEHM COc1cc(C)cc(C(=O)Nc2ccnn2[C@@H](C)C2CC2)c1[O-] ZINC000179521397 199049048 /nfs/dbraw/zinc/04/90/48/199049048.db2.gz FJTFZXMBMYSTRS-NSHDSACASA-N -1 3 315.373 3.129 10 0 DGAEHM COc1cc(C)cc(C(=O)Nc2ccnn2[C@H](C)C2CC2)c1[O-] ZINC000179521402 199049477 /nfs/dbraw/zinc/04/94/77/199049477.db2.gz FJTFZXMBMYSTRS-LLVKDONJSA-N -1 3 315.373 3.129 10 0 DGAEHM O=C(C[C@H]1CCCc2ccccc21)Nc1nnc(C(F)(F)F)[n-]1 ZINC000170978779 432091362 /nfs/dbraw/zinc/09/13/62/432091362.db2.gz MQCKYBQFKLZJTC-SNVBAGLBSA-N -1 3 324.306 3.272 10 0 DGAEHM O=C(C[C@H]1CCCc2ccccc21)Nc1nc(C(F)(F)F)n[n-]1 ZINC000170978779 432091366 /nfs/dbraw/zinc/09/13/66/432091366.db2.gz MQCKYBQFKLZJTC-SNVBAGLBSA-N -1 3 324.306 3.272 10 0 DGAEHM Cn1cc(C(=O)NCc2ccc([O-])c(F)c2)c2cc(F)ccc21 ZINC000435761977 238348641 /nfs/dbraw/zinc/34/86/41/238348641.db2.gz REVUHWCHFJYHMR-UHFFFAOYSA-N -1 3 316.307 3.092 10 0 DGAEHM Cc1ccc([O-])c(C(=O)N2CC3(CCCC3)OC(C)(C)C2)c1 ZINC000189944159 432106225 /nfs/dbraw/zinc/10/62/25/432106225.db2.gz PYKNJOWOFZEGRP-UHFFFAOYSA-N -1 3 303.402 3.264 10 0 DGAEHM COc1ccc(C(=O)N(C)[C@@H](C)Cc2ccc(C)cc2)c([O-])c1 ZINC000128807390 284387878 /nfs/dbraw/zinc/38/78/78/284387878.db2.gz UHLCHNFLNHAPHP-AWEZNQCLSA-N -1 3 313.397 3.412 10 0 DGAEHM COc1ccc([O-])c(C(=O)N(C)[C@H](C)Cc2ccc(C)cc2)c1 ZINC000129059789 284396241 /nfs/dbraw/zinc/39/62/41/284396241.db2.gz VPHGOOASYLXLTO-CQSZACIVSA-N -1 3 313.397 3.412 10 0 DGAEHM Cc1cc2cc(C[N-]c3nc(-c4nccn4C)no3)oc2cc1C ZINC000181532417 432134654 /nfs/dbraw/zinc/13/46/54/432134654.db2.gz OATSGRLLRTVEAV-UHFFFAOYSA-N -1 3 323.356 3.445 10 0 DGAEHM COc1ccc(Oc2ncnc([N-]c3nccs3)c2N)cc1 ZINC000040780992 183133230 /nfs/dbraw/zinc/13/32/30/183133230.db2.gz GPIFPNBUTIDWKZ-UHFFFAOYSA-N -1 3 315.358 3.060 10 0 DGAEHM CCc1ccccc1NC(=O)c1c[n-]c2c(F)cccc2c1=O ZINC000041055678 183160306 /nfs/dbraw/zinc/16/03/06/183160306.db2.gz GDGFVLCADXNPDF-UHFFFAOYSA-N -1 3 310.328 3.482 10 0 DGAEHM CCc1ccccc1NC(=O)c1cnc2c(F)cccc2c1[O-] ZINC000041055678 183160307 /nfs/dbraw/zinc/16/03/07/183160307.db2.gz GDGFVLCADXNPDF-UHFFFAOYSA-N -1 3 310.328 3.482 10 0 DGAEHM Cc1cccc(C(=O)NCc2ncc(-c3ccccc3)cn2)c1[O-] ZINC000183874470 284741392 /nfs/dbraw/zinc/74/13/92/284741392.db2.gz HMTSVNMGLKIQLX-UHFFFAOYSA-N -1 3 319.364 3.088 10 0 DGAEHM Cc1cc(F)cc2c(=O)c(C(=O)NCCC3=CCCC3)c[n-]c12 ZINC000158022430 197235897 /nfs/dbraw/zinc/23/58/97/197235897.db2.gz CLAXRRKGEMSFRO-UHFFFAOYSA-N -1 3 314.360 3.206 10 0 DGAEHM O=C(/C=C\c1cncc([O-])c1)N[C@H]1CCc2cc(Cl)ccc21 ZINC000255772817 285179652 /nfs/dbraw/zinc/17/96/52/285179652.db2.gz NAPPIDQKOCUEKI-ZHHWYLJYSA-N -1 3 314.772 3.258 10 0 DGAEHM CC(=O)c1ccc(C(=O)[N-]c2ncnc3oc(C)c(C)c32)s1 ZINC000344887593 254313475 /nfs/dbraw/zinc/31/34/75/254313475.db2.gz RJRPHDJZTDRFQN-UHFFFAOYSA-N -1 3 315.354 3.356 10 0 DGAEHM CC(=O)Nc1ccc([O-])c(C(=O)N2[C@H](C)C[C@H]3CCCC[C@H]32)c1 ZINC000270032674 285206070 /nfs/dbraw/zinc/20/60/70/285206070.db2.gz HQLKTGYUEAPDOA-AXAPSJFSSA-N -1 3 316.401 3.144 10 0 DGAEHM Cc1cc(=O)[n-]c([C@@H](C)N2CCc3[nH]c4ccccc4c3C2)n1 ZINC000192666047 291971866 /nfs/dbraw/zinc/97/18/66/291971866.db2.gz HUNNMEZNOVAWCF-GFCCVEGCSA-N -1 3 308.385 3.091 10 0 DGAEHM C=C/C(C)=C\CC(=O)Nc1cc(Cl)cc(C(=O)OC)c1[O-] ZINC000588096264 400188945 /nfs/dbraw/zinc/18/89/45/400188945.db2.gz WBRCKTFHUHQUGD-UITAMQMPSA-N -1 3 309.749 3.293 10 0 DGAEHM CCOC(=O)c1[n-]c(C)nc1NC(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000610231215 400226146 /nfs/dbraw/zinc/22/61/46/400226146.db2.gz DADUJBHLUARFFW-OLZOCXBDSA-N -1 3 319.405 3.050 10 0 DGAEHM CCOC(=O)c1nc(C)[n-]c1NC(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000610231215 400226153 /nfs/dbraw/zinc/22/61/53/400226153.db2.gz DADUJBHLUARFFW-OLZOCXBDSA-N -1 3 319.405 3.050 10 0 DGAEHM CCOC(=O)c1[n-]c(C)nc1NC(=O)CC1CCC(C)CC1 ZINC000610231350 400226521 /nfs/dbraw/zinc/22/65/21/400226521.db2.gz NSXCFTLBNCMHMB-UHFFFAOYSA-N -1 3 307.394 3.050 10 0 DGAEHM CCOC(=O)c1nc(C)[n-]c1NC(=O)CC1CCC(C)CC1 ZINC000610231350 400226524 /nfs/dbraw/zinc/22/65/24/400226524.db2.gz NSXCFTLBNCMHMB-UHFFFAOYSA-N -1 3 307.394 3.050 10 0 DGAEHM CCCc1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)cc1N ZINC000113735299 400381404 /nfs/dbraw/zinc/38/14/04/400381404.db2.gz SYANLUXORNMLEW-UHFFFAOYSA-N -1 3 321.380 3.315 10 0 DGAEHM CCCc1ccc(NC(=O)c2cnc3ccccc3c2[O-])cc1N ZINC000113735299 400381405 /nfs/dbraw/zinc/38/14/05/400381405.db2.gz SYANLUXORNMLEW-UHFFFAOYSA-N -1 3 321.380 3.315 10 0 DGAEHM O=S(=O)(Cc1ccccc1Cl)[N-]Cc1ccc(Cl)o1 ZINC000074852678 400542863 /nfs/dbraw/zinc/54/28/63/400542863.db2.gz WIVBXEUMACIPRR-UHFFFAOYSA-N -1 3 320.197 3.206 10 0 DGAEHM Cc1cc(NCc2ccc([O-])c(F)c2)nc(-c2ccncc2)n1 ZINC000078020273 400761580 /nfs/dbraw/zinc/76/15/80/400761580.db2.gz SYYZKYYELGFVLT-UHFFFAOYSA-N -1 3 310.332 3.304 10 0 DGAEHM CCN(Cc1ccc(Br)c(F)c1F)[C@@H](C)C(=O)[O-] ZINC000629489162 400940234 /nfs/dbraw/zinc/94/02/34/400940234.db2.gz CWRHGXKXZQMDLX-ZETCQYMHSA-N -1 3 322.149 3.022 10 0 DGAEHM C[C@H](C(=O)[O-])N(Cc1ccc(Br)cc1F)C1CC1 ZINC000263367380 289388235 /nfs/dbraw/zinc/38/82/35/289388235.db2.gz WOQNWOOCNGAIRC-MRVPVSSYSA-N -1 3 316.170 3.026 10 0 DGAEHM CC(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@]3(CC[C@@H](C)C3)C2)c1 ZINC000408409731 165957070 /nfs/dbraw/zinc/95/70/70/165957070.db2.gz CDSQQQOLMCLNAH-KZULUSFZSA-N -1 3 316.401 3.003 10 0 DGAEHM O=C(NC[C@H]1CCCN(c2ccccc2)C1)c1cccc([O-])c1 ZINC000364186404 286997129 /nfs/dbraw/zinc/99/71/29/286997129.db2.gz IJTYTHOGOMFOGL-OAHLLOKOSA-N -1 3 310.397 3.039 10 0 DGAEHM CC(C)N(Cc1cccs1)S(=O)(=O)c1ccc([O-])cc1 ZINC000049039253 164555114 /nfs/dbraw/zinc/55/51/14/164555114.db2.gz QKBHUCDSDWNYEF-UHFFFAOYSA-N -1 3 311.428 3.053 10 0 DGAEHM COc1ccc(C(=O)N2Cc3ccccc3C3(CC3)C2)c([O-])c1 ZINC000187289493 165083400 /nfs/dbraw/zinc/08/34/00/165083400.db2.gz XWWXBXZNHKHZJF-UHFFFAOYSA-N -1 3 309.365 3.088 10 0 DGAEHM CCc1ccc(C(=O)N2CCO[C@H](c3ccc(C)o3)C2)c([O-])c1 ZINC000188555549 165127411 /nfs/dbraw/zinc/12/74/11/165127411.db2.gz PPGTVDUSLWQJGG-KRWDZBQOSA-N -1 3 315.369 3.070 10 0 DGAEHM CC(C)(C)c1nnsc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000189208932 165154413 /nfs/dbraw/zinc/15/44/13/165154413.db2.gz QOYRCCYOPHSHLN-UHFFFAOYSA-N -1 3 311.794 3.447 10 0 DGAEHM CC(C)c1n[nH]cc1C(=O)Nc1cc(Br)ccc1[O-] ZINC000189479256 165163075 /nfs/dbraw/zinc/16/30/75/165163075.db2.gz JIUGBNVMXFGLHO-UHFFFAOYSA-N -1 3 324.178 3.254 10 0 DGAEHM CC(C)c1[nH]ncc1C(=O)Nc1cc(Br)ccc1[O-] ZINC000189479256 165163076 /nfs/dbraw/zinc/16/30/76/165163076.db2.gz JIUGBNVMXFGLHO-UHFFFAOYSA-N -1 3 324.178 3.254 10 0 DGAEHM CCc1ccc(C(=O)N2CCC[C@H](c3nccs3)C2)c([O-])c1 ZINC000191031541 165227038 /nfs/dbraw/zinc/22/70/38/165227038.db2.gz YUGPEILYOYPNBZ-ZDUSSCGKSA-N -1 3 316.426 3.431 10 0 DGAEHM Cc1ccc([C@H]2CCCCN2C(=O)c2ccc3n[n-]nc3c2)o1 ZINC000129209648 196029913 /nfs/dbraw/zinc/02/99/13/196029913.db2.gz KOXWELNQPURDKQ-OAHLLOKOSA-N -1 3 310.357 3.227 10 0 DGAEHM Cc1cc(C)cc([C@@H]2CCN(C(=O)c3ccc4n[n-]nc4c3)C2)c1 ZINC000181956247 432152217 /nfs/dbraw/zinc/15/22/17/432152217.db2.gz SFFBNAPQBDBCNN-OAHLLOKOSA-N -1 3 320.396 3.204 10 0 DGAEHM O=C(c1ccc2ccccc2c1[O-])N1CCCC[C@H]1c1nnc[nH]1 ZINC000182108109 432157839 /nfs/dbraw/zinc/15/78/39/432157839.db2.gz AGCLFICTNCALBH-HNNXBMFYSA-N -1 3 322.368 3.031 10 0 DGAEHM CCOC(=O)c1ccc(NC(=O)Cc2ccc(C)s2)c([O-])c1 ZINC000129596550 196060771 /nfs/dbraw/zinc/06/07/71/196060771.db2.gz NGGLPGBDYUQODM-UHFFFAOYSA-N -1 3 319.382 3.120 10 0 DGAEHM CC1(C)CN(C(=O)c2ccccc2[O-])CC[C@H]1C(F)(F)F ZINC000190727711 432185628 /nfs/dbraw/zinc/18/56/28/432185628.db2.gz JRSFWWFIVWZRCF-GFCCVEGCSA-N -1 3 301.308 3.443 10 0 DGAEHM COc1cccc(C(=O)Nc2cccc(OCCF)c2)c1[O-] ZINC000150922900 432202959 /nfs/dbraw/zinc/20/29/59/432202959.db2.gz MCXHKKWPRKSKCK-UHFFFAOYSA-N -1 3 305.305 3.001 10 0 DGAEHM COc1ccc2[nH]c(C(=O)Nc3cc(F)ccc3[O-])cc2c1 ZINC000188648861 263698279 /nfs/dbraw/zinc/69/82/79/263698279.db2.gz UQYUBIISTCSVLZ-UHFFFAOYSA-N -1 3 300.289 3.274 10 0 DGAEHM COc1ccc([C@H](C)N[C@H](C)c2nc(C)cc(=O)[n-]2)cc1F ZINC000192723330 263783587 /nfs/dbraw/zinc/78/35/87/263783587.db2.gz PBIDMDBGLRYPKF-WDEREUQCSA-N -1 3 305.353 3.050 10 0 DGAEHM C[C@@H]1C[C@H](C(=O)Nc2nc(C(F)(F)F)n[n-]2)CC(C)(C)C1 ZINC000183082852 432256308 /nfs/dbraw/zinc/25/63/08/432256308.db2.gz GBKIJRLPWVXZEJ-SFYZADRCSA-N -1 3 304.316 3.224 10 0 DGAEHM C[C@@H]1C[C@H](C(=O)Nc2nnc(C(F)(F)F)[n-]2)CC(C)(C)C1 ZINC000183082852 432256305 /nfs/dbraw/zinc/25/63/05/432256305.db2.gz GBKIJRLPWVXZEJ-SFYZADRCSA-N -1 3 304.316 3.224 10 0 DGAEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C[C@H]3C=CCC3)cc2)n1 ZINC000068225119 431119716 /nfs/dbraw/zinc/11/97/16/431119716.db2.gz LIMLXRKUXPTJHT-ZDUSSCGKSA-N -1 3 309.369 3.040 10 0 DGAEHM Cn1cc(-c2ncc(C(=O)[N-]c3c(F)cccc3F)s2)cn1 ZINC000112161716 431250571 /nfs/dbraw/zinc/25/05/71/431250571.db2.gz RKZSIJPCKQPIIY-UHFFFAOYSA-N -1 3 320.324 3.074 10 0 DGAEHM Cc1cc(C)c2[n-]cc(C(=O)N3C[C@H]4CCCC[C@@H]4C3)c(=O)c2c1 ZINC000483336922 280401734 /nfs/dbraw/zinc/40/17/34/280401734.db2.gz NFQHEJLCZBHQRA-HUUCEWRRSA-N -1 3 324.424 3.407 10 0 DGAEHM O=C(/C=C/c1ccc(Br)o1)[N-]OCc1ccccc1 ZINC000025282661 431651464 /nfs/dbraw/zinc/65/14/64/431651464.db2.gz SQMQEHKYVQVZRK-VQHVLOKHSA-N -1 3 322.158 3.303 10 0 DGAEHM O=C([O-])CN(Cc1cc(Cl)ccc1OC(F)F)CC1CC1 ZINC000036885810 431842143 /nfs/dbraw/zinc/84/21/43/431842143.db2.gz HVHQRVWUJVNYOV-UHFFFAOYSA-N -1 3 319.735 3.238 10 0 DGAEHM CC(=O)c1cnc([N-]C(=O)c2nc3ccccc3s2)s1 ZINC000123346868 431862440 /nfs/dbraw/zinc/86/24/40/431862440.db2.gz XDIHXSJVLHJFIP-UHFFFAOYSA-N -1 3 303.368 3.208 10 0 DGAEHM CC[C@H](C(=O)[O-])N(C)Cc1cc(Cl)ccc1OC(F)F ZINC000044621482 431876415 /nfs/dbraw/zinc/87/64/15/431876415.db2.gz HYJFSCCQVOFHEB-SNVBAGLBSA-N -1 3 307.724 3.236 10 0 DGAEHM O=C(C[C@H]1CCOc2ccccc21)Nc1ccc([O-])cc1F ZINC000183239791 432272549 /nfs/dbraw/zinc/27/25/49/432272549.db2.gz WOBFMVDJPLEACA-LLVKDONJSA-N -1 3 301.317 3.426 10 0 DGAEHM CO[C@@H](C)c1nc(C)c(C(=O)Nc2ccc([O-])cc2F)s1 ZINC000183252001 432273569 /nfs/dbraw/zinc/27/35/69/432273569.db2.gz FKJRSGLDYFRMTN-QMMMGPOBSA-N -1 3 310.350 3.256 10 0 DGAEHM CCOc1c(F)cccc1C(=O)[N-]c1nnc(C(F)F)s1 ZINC000173817108 432301775 /nfs/dbraw/zinc/30/17/75/432301775.db2.gz SRHICTQIKUQDOY-UHFFFAOYSA-N -1 3 317.292 3.266 10 0 DGAEHM COC(=O)c1coc(C(=O)[N-]c2nc3c(s2)CCCCC3)c1 ZINC000183911243 432333251 /nfs/dbraw/zinc/33/32/51/432333251.db2.gz OWMDVHRWXPEUQP-UHFFFAOYSA-N -1 3 320.370 3.044 10 0 DGAEHM CC(C)c1ccc(C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c([O-])c1 ZINC000271429731 432394262 /nfs/dbraw/zinc/39/42/62/432394262.db2.gz PUXNJIFLGJBJEL-KXBFYZLASA-N -1 3 317.429 3.283 10 0 DGAEHM Cc1cc(Cl)cc(NC(=O)c2cnccc2N(C)C)c1[O-] ZINC000184181990 432364129 /nfs/dbraw/zinc/36/41/29/432364129.db2.gz GZWJIIICPFFZAJ-UHFFFAOYSA-N -1 3 305.765 3.067 10 0 DGAEHM C[C@H]1C[C@@H](C(=O)Nc2cc(-c3nccn3C)[n-]n2)CC(C)(C)C1 ZINC000184239495 432369495 /nfs/dbraw/zinc/36/94/95/432369495.db2.gz VVJVACXEDZKGLF-NWDGAFQWSA-N -1 3 315.421 3.211 10 0 DGAEHM C[C@H]1C[C@@H](C(=O)Nc2cc(-c3nccn3C)n[n-]2)CC(C)(C)C1 ZINC000184239495 432369497 /nfs/dbraw/zinc/36/94/97/432369497.db2.gz VVJVACXEDZKGLF-NWDGAFQWSA-N -1 3 315.421 3.211 10 0 DGAEHM C[C@@H]1C[C@@H](C(=O)Nc2cc(-c3nccn3C)[n-]n2)CC(C)(C)C1 ZINC000184239480 432370285 /nfs/dbraw/zinc/37/02/85/432370285.db2.gz VVJVACXEDZKGLF-VXGBXAGGSA-N -1 3 315.421 3.211 10 0 DGAEHM C[C@@H]1C[C@@H](C(=O)Nc2cc(-c3nccn3C)n[n-]2)CC(C)(C)C1 ZINC000184239480 432370290 /nfs/dbraw/zinc/37/02/90/432370290.db2.gz VVJVACXEDZKGLF-VXGBXAGGSA-N -1 3 315.421 3.211 10 0 DGAEHM C[C@@H]1COCC[C@@H]1C(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000192827101 432418330 /nfs/dbraw/zinc/41/83/30/432418330.db2.gz XWFQFVRKPRABAY-SCZZXKLOSA-N -1 3 303.280 3.022 10 0 DGAEHM Cc1ccc(-c2cc(C(=O)N3CCOc4ccccc43)n[n-]2)o1 ZINC000193801023 432499683 /nfs/dbraw/zinc/49/96/83/432499683.db2.gz RFQVODPMYDBNJW-UHFFFAOYSA-N -1 3 309.325 3.017 10 0 DGAEHM Cc1ccc(-c2cc(C(=O)N3CCOc4ccccc43)[n-]n2)o1 ZINC000193801023 432499686 /nfs/dbraw/zinc/49/96/86/432499686.db2.gz RFQVODPMYDBNJW-UHFFFAOYSA-N -1 3 309.325 3.017 10 0 DGAEHM O=C([O-])[C@@H]1CCCCN1Cc1ccc(-c2ccncc2)cc1F ZINC000263420532 432543808 /nfs/dbraw/zinc/54/38/08/432543808.db2.gz OQYBZERHNNCAFZ-KRWDZBQOSA-N -1 3 314.360 3.327 10 0 DGAEHM COc1cc(C(=O)Nc2ccc3cc[nH]c3c2)cc(OC)c1[O-] ZINC000194827414 432580028 /nfs/dbraw/zinc/58/00/28/432580028.db2.gz FQLZJPJBHHEFCL-UHFFFAOYSA-N -1 3 312.325 3.143 10 0 DGAEHM Cc1cc(F)cc2c(=O)c(C(=O)NCCC3CCCC3)c[n-]c12 ZINC000178474933 432741625 /nfs/dbraw/zinc/74/16/25/432741625.db2.gz JPXHANYBTNZFBM-UHFFFAOYSA-N -1 3 316.376 3.286 10 0 DGAEHM COc1ccc2[nH]c(C(=O)Nc3cccc([O-])c3F)cc2c1 ZINC000188758279 432743256 /nfs/dbraw/zinc/74/32/56/432743256.db2.gz GUPXMNVZNNBIRO-UHFFFAOYSA-N -1 3 300.289 3.274 10 0 DGAEHM O=C(c1cc([O-])c2ccccc2c1)N1CCOCC2(CCC2)C1 ZINC000366239531 292927593 /nfs/dbraw/zinc/92/75/93/292927593.db2.gz FIMKHCJAIWRJNU-UHFFFAOYSA-N -1 3 311.381 3.188 10 0 DGAEHM O=C(Cc1ccc([O-])c(F)c1)N1CCCC[C@H]1c1ccco1 ZINC000449878372 433847042 /nfs/dbraw/zinc/84/70/42/433847042.db2.gz AORMPNPKZXFZMD-AWEZNQCLSA-N -1 3 303.333 3.421 10 0 DGAEHM CCc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c([O-])c1 ZINC000436806622 434115569 /nfs/dbraw/zinc/11/55/69/434115569.db2.gz IGXVXTRKTSQSQE-UHFFFAOYSA-N -1 3 324.424 3.353 10 0 DGAEHM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2csc(=O)[n-]2)o1 ZINC000364191262 434258921 /nfs/dbraw/zinc/25/89/21/434258921.db2.gz RNCLPKINUGQKBD-SKDRFNHKSA-N -1 3 306.387 3.364 10 0 DGAEHM O=C([O-])[C@H]1CCC[C@H](NCc2ccsc2Br)C1 ZINC000388544457 434334248 /nfs/dbraw/zinc/33/42/48/434334248.db2.gz FFBVNYMANJYBSU-WPRPVWTQSA-N -1 3 318.236 3.244 10 0 DGAEHM c1coc(-c2nnc([N-]Cc3csc(-c4ccccc4)n3)o2)c1 ZINC000347823244 434277876 /nfs/dbraw/zinc/27/78/76/434277876.db2.gz WLOFQTXUVYZZHZ-UHFFFAOYSA-N -1 3 324.365 4.065 10 0 DGAEHM COc1cc(NC(=O)CCCc2ccc([O-])c(F)c2)ccc1O ZINC000438109928 434409204 /nfs/dbraw/zinc/40/92/04/434409204.db2.gz MTNORLXNQCHOKH-UHFFFAOYSA-N -1 3 319.332 3.207 10 0 DGAEHM O=C(N[C@H]1C[C@H](c2cccc(Cl)c2)C1)c1c([O-])cccc1O ZINC000438469129 434486317 /nfs/dbraw/zinc/48/63/17/434486317.db2.gz ZKBOQFBCBMDZDF-AULYBMBSSA-N -1 3 317.772 3.427 10 0 DGAEHM CCc1ccc([O-])c(C(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)c1 ZINC000408261555 434557146 /nfs/dbraw/zinc/55/71/46/434557146.db2.gz QQTZNXRAZYHGQH-UAGQMJEPSA-N -1 3 317.429 3.110 10 0 DGAEHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1cccc(C2CCC2)c1 ZINC000524090322 434968762 /nfs/dbraw/zinc/96/87/62/434968762.db2.gz CEBZCEAMOXKGHM-INIZCTEOSA-N -1 3 311.385 3.203 10 0 DGAEHM CCCN(Cc1nc(C(=O)[O-])co1)[C@H]1CCc2ccccc2C1 ZINC000574577762 434988913 /nfs/dbraw/zinc/98/89/13/434988913.db2.gz FWHFHKCLIFQDCU-HNNXBMFYSA-N -1 3 314.385 3.142 10 0 DGAEHM Cc1cc([N-]C(=O)c2cc(-c3cccc(Cl)c3)no2)ncn1 ZINC000525131659 435004643 /nfs/dbraw/zinc/00/46/43/435004643.db2.gz YCKQBCFHQXZYLC-UHFFFAOYSA-N -1 3 314.732 3.346 10 0 DGAEHM CCc1ccc(OC(F)F)c(I)c1[O-] ZINC000575654895 435038253 /nfs/dbraw/zinc/03/82/53/435038253.db2.gz HSJCDOVYRREMOK-UHFFFAOYSA-N -1 3 314.069 3.161 10 0 DGAEHM CC(=O)c1c([O-])cc(I)cc1C(F)F ZINC000575670017 435041682 /nfs/dbraw/zinc/04/16/82/435041682.db2.gz VJTQZKNGWBPFCH-UHFFFAOYSA-N -1 3 312.053 3.137 10 0 DGAEHM Cc1c(Br)cc([O-])cc1I ZINC000575693256 435045053 /nfs/dbraw/zinc/04/50/53/435045053.db2.gz OXZQTDYFZMAUDX-UHFFFAOYSA-N -1 3 312.932 3.068 10 0 DGAEHM C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)NCc1ccc([O-])c(F)c1 ZINC000471894080 435138868 /nfs/dbraw/zinc/13/88/68/435138868.db2.gz WPMUUOGIVITRLE-WCBMZHEXSA-N -1 3 320.286 3.014 10 0 DGAEHM CC[C@](C)([N-]S(=O)(=O)c1ccc(F)cc1C)C(F)(F)F ZINC000548474263 435696729 /nfs/dbraw/zinc/69/67/29/435696729.db2.gz JGKLHFPMQBAMGQ-NSHDSACASA-N -1 3 313.316 3.143 10 0 DGAEHM CCc1ccc([O-])c(C(=O)N2CCO[C@@H](c3cccs3)C2)c1 ZINC000134347905 312690191 /nfs/dbraw/zinc/69/01/91/312690191.db2.gz YJGDBQCXHAOTLU-OAHLLOKOSA-N -1 3 317.410 3.230 10 0 DGAEHM CC(C)[C@H]1CCN(C(=O)c2cc([O-])cc(Br)c2)C1 ZINC000528811828 313089010 /nfs/dbraw/zinc/08/90/10/313089010.db2.gz JYEVJXXLRKWLNB-JTQLQIEISA-N -1 3 312.207 3.273 10 0 DGAEHM CC(=O)c1ccc(C(=O)N[C@@H](c2ccccn2)C2CCC2)cc1[O-] ZINC000529829174 313273585 /nfs/dbraw/zinc/27/35/85/313273585.db2.gz CHSTZHQUAFJHLG-GOSISDBHSA-N -1 3 324.380 3.261 10 0 DGAEHM Cc1ccc(-c2noc(C[S@](=O)c3cccc([O-])c3)n2)cc1 ZINC000541760315 314036997 /nfs/dbraw/zinc/03/69/97/314036997.db2.gz GEYRDSQCNQCLFL-QFIPXVFZSA-N -1 3 314.366 3.058 10 0 DGAEHM CN(C)[C@H](CNC(=O)c1cccc([O-])c1)c1ccc(Cl)cc1 ZINC000541890131 314046477 /nfs/dbraw/zinc/04/64/77/314046477.db2.gz KFWALXPORHWAGG-MRXNPFEDSA-N -1 3 318.804 3.078 10 0 DGAEHM C[C@H](CCC(C)(C)C)C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000542656168 314089006 /nfs/dbraw/zinc/08/90/06/314089006.db2.gz OWBYMGCFZCVPGX-GFCCVEGCSA-N -1 3 315.421 3.191 10 0 DGAEHM C[C@H](CCC(C)(C)C)C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000542656168 314089010 /nfs/dbraw/zinc/08/90/10/314089010.db2.gz OWBYMGCFZCVPGX-GFCCVEGCSA-N -1 3 315.421 3.191 10 0 DGAEHM O=C(NC[C@H]1Cc2ccccc2O1)c1cc([O-])c2ccccc2c1 ZINC000569054107 315554236 /nfs/dbraw/zinc/55/42/36/315554236.db2.gz GJQDSIQBCPQVNV-MRXNPFEDSA-N -1 3 319.360 3.279 10 0 DGAEHM CC(=O)c1ccc(NC(=O)c2ccc3n[n-]nc3c2)cc1Cl ZINC000182797708 323312822 /nfs/dbraw/zinc/31/28/22/323312822.db2.gz KLTDTSNFWTUVKW-UHFFFAOYSA-N -1 3 314.732 3.066 10 0 DGAEHM C[C@@H]1CCN(C(=O)c2cn3ccnc3s2)c2c([O-])cccc21 ZINC000188872710 323430787 /nfs/dbraw/zinc/43/07/87/323430787.db2.gz ASEFINBVTKOMHP-SNVBAGLBSA-N -1 3 313.382 3.255 10 0 DGAEHM O=C(NCc1ccc2c(c1)CCO2)c1cc([O-])c2ccccc2c1 ZINC000578473306 323738126 /nfs/dbraw/zinc/73/81/26/323738126.db2.gz MRFBSQZXBKSKSY-UHFFFAOYSA-N -1 3 319.360 3.410 10 0 DGAEHM Clc1ccc(-c2ccc(OCCc3nnn[n-]3)cc2)cc1 ZINC000584625348 337375421 /nfs/dbraw/zinc/37/54/21/337375421.db2.gz KFVFTGCYHFUHEQ-UHFFFAOYSA-N -1 3 300.749 3.142 10 0 DGAEHM Clc1ccc(-c2ccc(OCCc3nn[n-]n3)cc2)cc1 ZINC000584625348 337375422 /nfs/dbraw/zinc/37/54/22/337375422.db2.gz KFVFTGCYHFUHEQ-UHFFFAOYSA-N -1 3 300.749 3.142 10 0 DGAEHM O=C(Nc1ncccc1[O-])C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000189064793 534473646 /nfs/dbraw/zinc/47/36/46/534473646.db2.gz ZWFWQRUEROHUHN-UHFFFAOYSA-N -1 3 322.286 3.476 10 0 DGAEHM CC(C)(C)c1ccc(CCC(=O)NCc2ncccc2[O-])cc1 ZINC000473629047 535113564 /nfs/dbraw/zinc/11/35/64/535113564.db2.gz HVLBWHWTTDKDQL-UHFFFAOYSA-N -1 3 312.413 3.334 10 0 DGAEHM [O-]c1cccc(CN[C@@H]2CCCC2(F)F)c1Br ZINC000398020980 546763646 /nfs/dbraw/zinc/76/36/46/546763646.db2.gz KCVRQSAFSIAVPG-SNVBAGLBSA-N -1 3 306.150 3.432 10 0 DGAEHM CO[C@H](CNC(=O)c1cc([O-])c2ccccc2c1)C(C)(C)C ZINC000527457751 546970642 /nfs/dbraw/zinc/97/06/42/546970642.db2.gz QUHZLRFXKSKHHG-MRXNPFEDSA-N -1 3 301.386 3.336 10 0 DGAEHM CC(=O)c1ccc(NC([O-])=NO[C@H]2CCCCO2)cc1Cl ZINC000121559172 630704006 /nfs/dbraw/zinc/70/40/06/630704006.db2.gz LQHXZLLBDFRBEK-ZDUSSCGKSA-N -1 3 312.753 3.122 10 0 DGAEHM CC(=O)c1ccc(NC(=O)[N-]O[C@H]2CCCCO2)cc1Cl ZINC000121559172 630704008 /nfs/dbraw/zinc/70/40/08/630704008.db2.gz LQHXZLLBDFRBEK-ZDUSSCGKSA-N -1 3 312.753 3.122 10 0 DGAEHM CC[C@@H]([N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)C(C)C ZINC000081673253 660193899 /nfs/dbraw/zinc/19/38/99/660193899.db2.gz UMDGTEWMEOURGP-SNVBAGLBSA-N -1 3 311.234 3.101 10 0 DGAEHM O=S(=O)(C=Cc1ccc(F)cc1)[N-]c1cccc2n[nH]cc21 ZINC000176694110 655785369 /nfs/dbraw/zinc/78/53/69/655785369.db2.gz GXVJVNRBVGHCSJ-CMDGGOBGSA-N -1 3 317.345 3.115 10 0 DGAEHM CCc1ccc(NC(=O)NN=c2ccc(Cl)n[n-]2)cc1CC ZINC000182750845 660075869 /nfs/dbraw/zinc/07/58/69/660075869.db2.gz QTNZUQGDBHKFDH-UHFFFAOYSA-N -1 3 319.796 3.403 10 0 DGAEHM O=C(CCC(=O)c1ccc(F)c(F)c1)[N-]OCc1ccccc1 ZINC000087005671 662222458 /nfs/dbraw/zinc/22/24/58/662222458.db2.gz WWMIKYZXIYXFHA-UHFFFAOYSA-N -1 3 319.307 3.176 10 0 DGAEHM [O-]c1ccc(CNCc2ccn(Cc3ccccc3)n2)cc1F ZINC000389923476 1176259722 /nfs/dbraw/zinc/25/97/22/1176259722.db2.gz ACBZLNBFIRRBIT-UHFFFAOYSA-N -1 3 311.360 3.066 10 0 DGAEHM C[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)CC1 ZINC000380528148 1176874787 /nfs/dbraw/zinc/87/47/87/1176874787.db2.gz KBAFYASNVHDDQC-UWVGGRQHSA-N -1 3 320.817 3.121 10 0 DGAEHM CCOc1nnc(NC(=O)c2sc3ccccc3c2Cl)[n-]1 ZINC000228790802 1176984742 /nfs/dbraw/zinc/98/47/42/1176984742.db2.gz IVTCMRRMCQIEIV-UHFFFAOYSA-N -1 3 322.777 3.324 10 0 DGAEHM CCOc1nc(NC(=O)c2sc3ccccc3c2Cl)n[n-]1 ZINC000228790802 1176984748 /nfs/dbraw/zinc/98/47/48/1176984748.db2.gz IVTCMRRMCQIEIV-UHFFFAOYSA-N -1 3 322.777 3.324 10 0 DGAEHM CCOc1n[n-]c(NC(=O)c2sc3ccccc3c2Cl)n1 ZINC000228790802 1176984759 /nfs/dbraw/zinc/98/47/59/1176984759.db2.gz IVTCMRRMCQIEIV-UHFFFAOYSA-N -1 3 322.777 3.324 10 0 DGAEHM O=S(=O)([N-]C1CCCCCCC1)c1cnc(Cl)c(F)c1 ZINC000384024222 1177078120 /nfs/dbraw/zinc/07/81/20/1177078120.db2.gz QEUDUMSZBYWUMB-UHFFFAOYSA-N -1 3 320.817 3.265 10 0 DGAEHM C[C@@H](Cc1ccsc1)N(C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000081497751 1197226709 /nfs/dbraw/zinc/22/67/09/1197226709.db2.gz UNBJFIFHRPBMHK-NSHDSACASA-N -1 3 322.405 3.365 10 0 DGAEHM O=S(=O)([N-]CCCC1CCCC1)c1cnc(Cl)c(F)c1 ZINC000383859402 1197706314 /nfs/dbraw/zinc/70/63/14/1197706314.db2.gz SLMNBILITUIEST-UHFFFAOYSA-N -1 3 320.817 3.123 10 0 DGAEHM Cc1ccc(C(=O)N[C@@H](C)CCOCc2ccccc2)c([O-])c1 ZINC000390392065 1197712918 /nfs/dbraw/zinc/71/29/18/1197712918.db2.gz KPODORWRRMDGCZ-HNNXBMFYSA-N -1 3 313.397 3.426 10 0 DGAEHM CC1(C)C([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)C1(C)C ZINC000092817757 1198614394 /nfs/dbraw/zinc/61/43/94/1198614394.db2.gz LNZSGIZHZGJHEM-UHFFFAOYSA-N -1 3 323.245 3.101 10 0 DGAEHM CC[C@@H](CSC)N(C)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000183952909 529528181 /nfs/dbraw/zinc/52/81/81/529528181.db2.gz DFQQMGGBAWZWNL-ZDUSSCGKSA-N -1 3 307.459 3.485 10 0 DGAEHM C[C@@H](O)C[C@@H]1CCCCN1C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000279625809 215014896 /nfs/dbraw/zinc/01/48/96/215014896.db2.gz IEGRUGXVNQLKFU-CJNGLKHVSA-N -1 3 317.429 3.037 10 0 DGAEHM CC(=O)[C@H](C)CCCCC(=O)N1CCCc2cccc([O-])c21 ZINC000272608625 210008442 /nfs/dbraw/zinc/00/84/42/210008442.db2.gz ZPZSTLWYAUPBEL-CYBMUJFWSA-N -1 3 303.402 3.457 10 0 DGAEHM O=C(NCc1ccc([O-])c(F)c1)N1CCC[C@@H]1c1ccco1 ZINC000163744235 432042218 /nfs/dbraw/zinc/04/22/18/432042218.db2.gz GTBRSKOTMPBNPE-CYBMUJFWSA-N -1 3 304.321 3.171 10 0 DGAEHM Cc1sc2[n-]c(COc3ccccc3F)nc(=O)c2c1C ZINC000005171397 181213271 /nfs/dbraw/zinc/21/32/71/181213271.db2.gz CHPIMKQOZWLLOC-UHFFFAOYSA-N -1 3 304.346 3.320 10 0 DGAEHM CCc1noc(C)c1[N-]C(=O)c1sc([C@@H](C)OC)nc1C ZINC000132918625 432056021 /nfs/dbraw/zinc/05/60/21/432056021.db2.gz YAMMSEUXEVBDRW-SECBINFHSA-N -1 3 309.391 3.270 10 0 DGAEHM Cc1ccc(C(=O)N2CCC[C@H]2c2noc(C(C)C)n2)c([O-])c1 ZINC000179646937 199069056 /nfs/dbraw/zinc/06/90/56/199069056.db2.gz QMPCSFPBCJJPFD-ZDUSSCGKSA-N -1 3 315.373 3.184 10 0 DGAEHM Cc1nc([C@H]2CCCN2C(=O)c2ccc(C)cc2[O-])cs1 ZINC000187013589 200047522 /nfs/dbraw/zinc/04/75/22/200047522.db2.gz YAGMQVKKYJEVRX-CQSZACIVSA-N -1 3 302.399 3.443 10 0 DGAEHM Cc1nc([C@@H]2CCCN2C(=O)c2cc(C)ccc2[O-])cs1 ZINC000187014408 200048056 /nfs/dbraw/zinc/04/80/56/200048056.db2.gz PPZSTMYTPQNAHL-AWEZNQCLSA-N -1 3 302.399 3.443 10 0 DGAEHM Cc1cc(=O)[n-]c([C@@H](C)Sc2nnc(C(F)(F)F)s2)n1 ZINC000188216844 200210215 /nfs/dbraw/zinc/21/02/15/200210215.db2.gz LPCNXIMKJOTKEN-RXMQYKEDSA-N -1 3 322.337 3.214 10 0 DGAEHM Cc1cc(=O)[n-]c([C@H](C)Sc2nnc(C(F)(F)F)s2)n1 ZINC000188216869 200210874 /nfs/dbraw/zinc/21/08/74/200210874.db2.gz LPCNXIMKJOTKEN-YFKPBYRVSA-N -1 3 322.337 3.214 10 0 DGAEHM Cc1ccc([O-])c(C(=O)N2CCC[C@@H](c3nccs3)C2)c1 ZINC000170891027 432086721 /nfs/dbraw/zinc/08/67/21/432086721.db2.gz VXQURJTWIOQNSS-GFCCVEGCSA-N -1 3 302.399 3.177 10 0 DGAEHM CCc1cc(C)c(C(=O)[N-]c2nnc(C(F)(F)F)s2)o1 ZINC000134890628 432087930 /nfs/dbraw/zinc/08/79/30/432087930.db2.gz PBTXXUFCBVSHIU-UHFFFAOYSA-N -1 3 305.281 3.273 10 0 DGAEHM O=C(C[C@@H]1CCCc2ccccc21)Nc1nnc(C(F)(F)F)[n-]1 ZINC000170978781 432090939 /nfs/dbraw/zinc/09/09/39/432090939.db2.gz MQCKYBQFKLZJTC-JTQLQIEISA-N -1 3 324.306 3.272 10 0 DGAEHM O=C(C[C@@H]1CCCc2ccccc21)Nc1nc(C(F)(F)F)n[n-]1 ZINC000170978781 432090944 /nfs/dbraw/zinc/09/09/44/432090944.db2.gz MQCKYBQFKLZJTC-JTQLQIEISA-N -1 3 324.306 3.272 10 0 DGAEHM Cc1ccc([O-])c(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000268527274 432100434 /nfs/dbraw/zinc/10/04/34/432100434.db2.gz HYOJTQDFQCZVNW-KRWDZBQOSA-N -1 3 324.424 3.047 10 0 DGAEHM Cc1csc([C@@H](C)[N-]S(=O)(=O)c2sccc2Cl)n1 ZINC000451160321 241025331 /nfs/dbraw/zinc/02/53/31/241025331.db2.gz DSHLVXXZNISDFM-SSDOTTSWSA-N -1 3 322.864 3.206 10 0 DGAEHM CC(C)CC(CC(C)C)C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000451333425 241085452 /nfs/dbraw/zinc/08/54/52/241085452.db2.gz YFZSCWRHIUQYOT-OAHLLOKOSA-N -1 3 307.438 3.330 10 0 DGAEHM Cc1ccc(NCc2nc(C(F)(F)F)cc(=O)[n-]2)c(Cl)c1 ZINC000090371049 283985312 /nfs/dbraw/zinc/98/53/12/283985312.db2.gz LKWZFNWNMQNYFG-UHFFFAOYSA-N -1 3 317.698 3.363 10 0 DGAEHM Cc1cccc(Cl)c1NCc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000092216062 284005573 /nfs/dbraw/zinc/00/55/73/284005573.db2.gz MAGBUIPJIAIRDM-UHFFFAOYSA-N -1 3 317.698 3.363 10 0 DGAEHM CN(Cc1ccc(F)cc1Cl)C(=O)c1ccc(O)cc1[O-] ZINC000107158691 284052311 /nfs/dbraw/zinc/05/23/11/284052311.db2.gz GFASZGNNKIMGDT-UHFFFAOYSA-N -1 3 309.724 3.163 10 0 DGAEHM Cc1[nH]nc2cc([N-]S(=O)(=O)c3ccc(C)c(C)c3)ccc12 ZINC000093909393 193327813 /nfs/dbraw/zinc/32/78/13/193327813.db2.gz CSMVQUVZIYBGDK-UHFFFAOYSA-N -1 3 315.398 3.289 10 0 DGAEHM COc1ccc(F)c([N-]S(=O)(=O)c2cc(C)sc2C)c1 ZINC000123677919 284243476 /nfs/dbraw/zinc/24/34/76/284243476.db2.gz YEJYWABJUJAZOP-UHFFFAOYSA-N -1 3 315.391 3.313 10 0 DGAEHM Cc1cc(C)nc(NC(=O)c2c[n-]nc2-c2ccc(F)cc2)c1 ZINC000126370559 284302410 /nfs/dbraw/zinc/30/24/10/284302410.db2.gz JFTWKXVIMDGOFL-UHFFFAOYSA-N -1 3 310.332 3.480 10 0 DGAEHM O=S(=O)([N-]c1ccccc1Cl)c1ccnc(Cl)c1 ZINC000038008410 182961048 /nfs/dbraw/zinc/96/10/48/182961048.db2.gz FUTBDZNJYPWZRB-UHFFFAOYSA-N -1 3 303.170 3.189 10 0 DGAEHM COc1ccccc1C(=O)Nc1c2ccccc2oc1C(=O)[O-] ZINC000040166177 183042669 /nfs/dbraw/zinc/04/26/69/183042669.db2.gz RMSWZYLBSXBBMS-UHFFFAOYSA-N -1 3 311.293 3.392 10 0 DGAEHM O=c1[n-]c(NCc2ccc(F)cc2Cl)nc2c1CCCC2 ZINC000057343176 184034436 /nfs/dbraw/zinc/03/44/36/184034436.db2.gz PFXIKBIQBMKLPS-UHFFFAOYSA-N -1 3 307.756 3.053 10 0 DGAEHM O=c1cc(-c2ccccc2)nc(NCc2cc(F)cc(F)c2)[n-]1 ZINC000057341579 184034475 /nfs/dbraw/zinc/03/44/75/184034475.db2.gz HBRVLOHQPADSAK-UHFFFAOYSA-N -1 3 313.307 3.327 10 0 DGAEHM COc1ccc(CNCc2ccc([O-])c(Br)c2)cc1 ZINC000057901547 184061527 /nfs/dbraw/zinc/06/15/27/184061527.db2.gz PPBURIRSEJOKII-UHFFFAOYSA-N -1 3 322.202 3.453 10 0 DGAEHM COc1cccc(C(=O)Nc2ccc(-c3ncco3)cc2)c1[O-] ZINC000156843433 533419671 /nfs/dbraw/zinc/41/96/71/533419671.db2.gz IBRKELAKLKVGGH-UHFFFAOYSA-N -1 3 310.309 3.308 10 0 DGAEHM O=C([O-])c1ccc([C@H]2CN(Cc3ccccc3)CCCO2)cc1 ZINC000616651704 400192776 /nfs/dbraw/zinc/19/27/76/400192776.db2.gz QPBTUXZAEISIOU-GOSISDBHSA-N -1 3 311.381 3.348 10 0 DGAEHM O=C([O-])c1ccccc1[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000616653470 400194293 /nfs/dbraw/zinc/19/42/93/400194293.db2.gz WWIUXYWAPIHYKN-SFHVURJKSA-N -1 3 311.381 3.348 10 0 DGAEHM CN(C(=O)n1cnc(-c2ccc(F)c([O-])c2)c1)C1CCCC1 ZINC000113805201 400382244 /nfs/dbraw/zinc/38/22/44/400382244.db2.gz WEDSFLOYCGMMGP-UHFFFAOYSA-N -1 3 303.337 3.237 10 0 DGAEHM O=C(N/N=C/c1c([O-])cccc1Cl)c1ccc(Cl)cc1 ZINC000114338710 400386394 /nfs/dbraw/zinc/38/63/94/400386394.db2.gz SJWSIFHZECKMJP-CAOOACKPSA-N -1 3 309.152 3.463 10 0 DGAEHM CCOC(=O)[C@]([O-])(c1ccc(C(F)(F)F)cc1)C(F)(F)F ZINC000043465310 400467771 /nfs/dbraw/zinc/46/77/71/400467771.db2.gz QSLRHSURSZVGCY-SNVBAGLBSA-N -1 3 316.197 3.018 10 0 DGAEHM CCOC(=O)c1ccc(NC(=O)c2oc(CC)cc2C)c([O-])c1 ZINC000126263161 400490547 /nfs/dbraw/zinc/49/05/47/400490547.db2.gz INVOHGMYFNVZRU-UHFFFAOYSA-N -1 3 317.341 3.285 10 0 DGAEHM COc1cccc(C(=O)N2CCC[C@@H]2c2csc(C)n2)c1[O-] ZINC000187079547 165075358 /nfs/dbraw/zinc/07/53/58/165075358.db2.gz YMGGATOFZZZLSD-CYBMUJFWSA-N -1 3 318.398 3.143 10 0 DGAEHM COc1ccccc1C[C@@H]1CCCN1C(=O)c1cccc([O-])c1 ZINC000182254296 432172233 /nfs/dbraw/zinc/17/22/33/432172233.db2.gz GEGWQRGRTGGDKU-INIZCTEOSA-N -1 3 311.381 3.248 10 0 DGAEHM Cc1c(C(=O)[N-]c2nnc(C(C)(C)C)s2)sc2nccn12 ZINC000269890332 432218280 /nfs/dbraw/zinc/21/82/80/432218280.db2.gz LKFKPYNDNPLZAF-UHFFFAOYSA-N -1 3 321.431 3.106 10 0 DGAEHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1CCCN1c1nccs1 ZINC000179458708 228351555 /nfs/dbraw/zinc/35/15/55/228351555.db2.gz YREWXADKEPPDAN-NSHDSACASA-N -1 3 323.805 3.110 10 0 DGAEHM CC(C)(C)C(=O)CSCc1noc(-c2ccccc2[O-])n1 ZINC000370234591 271347293 /nfs/dbraw/zinc/34/72/93/271347293.db2.gz CQESTXDYQOKNKV-UHFFFAOYSA-N -1 3 306.387 3.291 10 0 DGAEHM Cc1cccc(-c2noc(C[S@@](=O)c3ccc([O-])cc3)n2)c1 ZINC000108083314 431119755 /nfs/dbraw/zinc/11/97/55/431119755.db2.gz MUKWMIPJFHSPTG-QFIPXVFZSA-N -1 3 314.366 3.058 10 0 DGAEHM C[C@H](C[N-]C(=O)C(F)(F)F)c1ccc(N2CCCCC2)cc1 ZINC000002007730 431241492 /nfs/dbraw/zinc/24/14/92/431241492.db2.gz FNHREEMAUFSJRN-GFCCVEGCSA-N -1 3 314.351 3.459 10 0 DGAEHM Cc1ccc([O-])c(CNCc2cccc(Br)c2)n1 ZINC000112716902 431300813 /nfs/dbraw/zinc/30/08/13/431300813.db2.gz OMWPEYWTZBYSDZ-UHFFFAOYSA-N -1 3 307.191 3.148 10 0 DGAEHM Cc1cccc(C(=O)N2CCC[C@@H](c3nccs3)C2)c1[O-] ZINC000114630723 431401383 /nfs/dbraw/zinc/40/13/83/431401383.db2.gz YYQXKUQBJLRPIC-GFCCVEGCSA-N -1 3 302.399 3.177 10 0 DGAEHM O=C(c1ccccc1[O-])N1CCC(Nc2ccccc2F)CC1 ZINC000075805831 431501599 /nfs/dbraw/zinc/50/15/99/431501599.db2.gz GFPWPHPOWVNMAI-UHFFFAOYSA-N -1 3 314.360 3.248 10 0 DGAEHM COc1ccc2c(c1)[C@@H](CCC[N-]C(=O)C(F)(F)F)CC2 ZINC000013491256 431556738 /nfs/dbraw/zinc/55/67/38/431556738.db2.gz HVUJGNBKHDFTFK-JTQLQIEISA-N -1 3 301.308 3.184 10 0 DGAEHM COc1ccc([C@H](C)NC(=O)c2cccc(OC)c2[O-])cc1F ZINC000078441724 431670528 /nfs/dbraw/zinc/67/05/28/431670528.db2.gz DZIZNBWHMSZMEQ-JTQLQIEISA-N -1 3 319.332 3.040 10 0 DGAEHM C[C@@H](NCc1nc(=O)c2sccc2[n-]1)c1cccc(Cl)c1 ZINC000037975725 431852701 /nfs/dbraw/zinc/85/27/01/431852701.db2.gz JVXOWHYKJYTNQS-SECBINFHSA-N -1 3 319.817 3.489 10 0 DGAEHM Cc1cccc(C(=O)NCc2cccc(Br)c2)c1[O-] ZINC000042354815 431863852 /nfs/dbraw/zinc/86/38/52/431863852.db2.gz LMHNBIHOMIDGNG-UHFFFAOYSA-N -1 3 320.186 3.393 10 0 DGAEHM CCOc1c(F)cccc1C(=O)[N-]c1nc(SC)ns1 ZINC000084628990 431829855 /nfs/dbraw/zinc/82/98/55/431829855.db2.gz FMRFRMOJLMBAFS-UHFFFAOYSA-N -1 3 313.379 3.050 10 0 DGAEHM CCCCc1nnc([N-]C(=O)c2cccc(OC)c2F)s1 ZINC000090371581 431891279 /nfs/dbraw/zinc/89/12/79/431891279.db2.gz KOORGLIOYCBAQE-UHFFFAOYSA-N -1 3 309.366 3.281 10 0 DGAEHM Cc1ccc([O-])c(C(=O)N2CC3(CCOCC3)c3ccccc32)c1 ZINC000189814898 280918399 /nfs/dbraw/zinc/91/83/99/280918399.db2.gz KZOULPAKJKWVGI-UHFFFAOYSA-N -1 3 323.392 3.409 10 0 DGAEHM CCc1cc(=O)[n-]c(CS[C@@H](C)c2nc(C(C)(C)C)no2)n1 ZINC000125516963 431928282 /nfs/dbraw/zinc/92/82/82/431928282.db2.gz AFGBKCPIFWDSRV-VIFPVBQESA-N -1 3 322.434 3.420 10 0 DGAEHM Cc1ccc([C@@H]2CCCCN2C(=O)c2ccc(O)cc2[O-])o1 ZINC000127820469 431981731 /nfs/dbraw/zinc/98/17/31/431981731.db2.gz LXPYWJXEZGMBPH-AWEZNQCLSA-N -1 3 301.342 3.367 10 0 DGAEHM Cc1cccc(-c2noc(C[S@](=O)c3cccc([O-])c3)n2)c1 ZINC000184063694 432350723 /nfs/dbraw/zinc/35/07/23/432350723.db2.gz MYKCIMDCGTYSFL-QFIPXVFZSA-N -1 3 314.366 3.058 10 0 DGAEHM O=C(Nc1ccccc1[O-])c1ccn(-c2c(F)cccc2F)n1 ZINC000175008219 432389348 /nfs/dbraw/zinc/38/93/48/432389348.db2.gz PAUVARFQMPDWIO-UHFFFAOYSA-N -1 3 315.279 3.108 10 0 DGAEHM CC(C)(C)c1nnsc1C(=O)[N-]c1nc(C2CC2)cs1 ZINC000189040348 432761007 /nfs/dbraw/zinc/76/10/07/432761007.db2.gz FQCIGTGPYAZLCZ-UHFFFAOYSA-N -1 3 308.432 3.422 10 0 DGAEHM CCc1ccc(C(=O)N(C)CCc2ncc(C)s2)c([O-])c1 ZINC000188546318 432731208 /nfs/dbraw/zinc/73/12/08/432731208.db2.gz ACJLSGSMWMOPIM-UHFFFAOYSA-N -1 3 304.415 3.034 10 0 DGAEHM CC(C)c1noc([N-]Cc2nnc(-c3ccccc3)s2)n1 ZINC000301633036 433649762 /nfs/dbraw/zinc/64/97/62/433649762.db2.gz JTYGRBDOQBDMQY-UHFFFAOYSA-N -1 3 301.375 3.324 10 0 DGAEHM CCCN(C(=O)c1cccc([O-])c1)[C@H]1C[C@H](OCC)C1(C)C ZINC000357312350 433946558 /nfs/dbraw/zinc/94/65/58/433946558.db2.gz PCWQUKZUYOWKEU-HOTGVXAUSA-N -1 3 305.418 3.448 10 0 DGAEHM COc1cc(C)c(-c2nc(-c3ccc([O-])cc3)no2)cc1OC ZINC000436535790 433999873 /nfs/dbraw/zinc/99/98/73/433999873.db2.gz SUTHOMRIUDEYTG-UHFFFAOYSA-N -1 3 312.325 3.435 10 0 DGAEHM Cc1cccc(C(=O)Nc2cncc(Br)c2)c1[O-] ZINC000305392916 434076165 /nfs/dbraw/zinc/07/61/65/434076165.db2.gz YKABYMOKKBZRRQ-UHFFFAOYSA-N -1 3 307.147 3.110 10 0 DGAEHM Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2csc(=O)[n-]2)o1 ZINC000364191259 434257483 /nfs/dbraw/zinc/25/74/83/434257483.db2.gz RNCLPKINUGQKBD-BXKDBHETSA-N -1 3 306.387 3.364 10 0 DGAEHM C[C@H](C1CC1)N(Cc1oncc1C(=O)[O-])Cc1ccccc1 ZINC000385208162 434298493 /nfs/dbraw/zinc/29/84/93/434298493.db2.gz VOLJGADKBGFCHV-GFCCVEGCSA-N -1 3 300.358 3.174 10 0 DGAEHM C[C@@H]1CCN(C(=O)C[C@@H]2CCCCNC2=O)c2c([O-])cccc21 ZINC000329810538 434484604 /nfs/dbraw/zinc/48/46/04/434484604.db2.gz BOTUOEWVOSAZEW-OLZOCXBDSA-N -1 3 316.401 3.379 10 0 DGAEHM O=C(c1ccc2c(n1)CCCC2)N1CCCc2cccc([O-])c21 ZINC000408145249 304540171 /nfs/dbraw/zinc/54/01/71/304540171.db2.gz QWVZDZDGAXFXGO-UHFFFAOYSA-N -1 3 308.381 3.259 10 0 DGAEHM Cc1c([O-])ccc(I)c1Br ZINC000575693424 435045751 /nfs/dbraw/zinc/04/57/51/435045751.db2.gz UKUPYACXILTHBT-UHFFFAOYSA-N -1 3 312.932 3.068 10 0 DGAEHM Cc1cccc2c(=O)c(C(=O)N(C)C[C@H]3CC=CCC3)c[n-]c12 ZINC000547863072 435654570 /nfs/dbraw/zinc/65/45/70/435654570.db2.gz XFEUIXUQGYGFNL-AWEZNQCLSA-N -1 3 310.397 3.265 10 0 DGAEHM O=C(Nc1cc(F)ccc1[O-])c1cnc(-c2ccncc2)s1 ZINC000174881312 312766997 /nfs/dbraw/zinc/76/69/97/312766997.db2.gz IEYSAVKXMYLHDH-UHFFFAOYSA-N -1 3 315.329 3.302 10 0 DGAEHM Cc1cc(C)n([C@@H](C)C(=O)Nc2cc(Cl)cc(C)c2[O-])n1 ZINC000179804670 312817560 /nfs/dbraw/zinc/81/75/60/312817560.db2.gz DVHOYYMKXQJVIZ-NSHDSACASA-N -1 3 307.781 3.367 10 0 DGAEHM C[C@@H]1CCN(C(=O)N=c2cc3ccccn3[n-]2)[C@H](c2ccco2)C1 ZINC000554416278 314679963 /nfs/dbraw/zinc/67/99/63/314679963.db2.gz LELSVOIEMRUWQB-HIFRSBDPSA-N -1 3 324.384 3.354 10 0 DGAEHM CC(=O)c1cccc(NC(=O)c2coc(Br)c2)c1[O-] ZINC000564355428 315172165 /nfs/dbraw/zinc/17/21/65/315172165.db2.gz SOZZJDFORTXWQE-UHFFFAOYSA-N -1 3 324.130 3.203 10 0 DGAEHM CC(C)CCn1cccc1C[N-]c1nnc([C@@H]2CCCO2)o1 ZINC000181798581 323269888 /nfs/dbraw/zinc/26/98/88/323269888.db2.gz WMCRYKYXRIDDEZ-AWEZNQCLSA-N -1 3 304.394 3.381 10 0 DGAEHM CC(=O)c1cccc(NC(=O)c2scnc2C2CC2)c1[O-] ZINC000582477559 324234266 /nfs/dbraw/zinc/23/42/66/324234266.db2.gz KVFOSEHXNYAPAL-UHFFFAOYSA-N -1 3 302.355 3.181 10 0 DGAEHM c1ccc([C@H](CN2CCCC2)N=c2[n-]c(C3CCC3)no2)cc1 ZINC000582886161 324287040 /nfs/dbraw/zinc/28/70/40/324287040.db2.gz BBYWAAKERGNVNC-INIZCTEOSA-N -1 3 312.417 3.008 10 0 DGAEHM Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)c1cc(C)ccc1[O-] ZINC000156198528 527583259 /nfs/dbraw/zinc/58/32/59/527583259.db2.gz WZJNGIXLUKPAOR-GFCCVEGCSA-N -1 3 315.417 3.452 10 0 DGAEHM C[C@H](NC(=O)c1cnc(C2CC2)[n-]c1=O)c1cccc(Cl)c1 ZINC000899961892 619385325 /nfs/dbraw/zinc/38/53/25/619385325.db2.gz CMLOKLCLVSGHIA-VIFPVBQESA-N -1 3 317.776 3.204 10 0 DGAEHM CC(C)(C)n1cc([N-]S(=O)(=O)/C=C\c2ccc(F)cc2)cn1 ZINC000255394472 655728657 /nfs/dbraw/zinc/72/86/57/655728657.db2.gz IKEQYIHZNMXWDD-HJWRWDBZSA-N -1 3 323.393 3.190 10 0 DGAEHM CCCC[C@@H](CCC)[N-]S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000176930529 655870026 /nfs/dbraw/zinc/87/00/26/655870026.db2.gz QSGHHXRLHOGDSM-LLVKDONJSA-N -1 3 321.874 3.019 10 0 DGAEHM O=C([O-])[C@@H]1CN([C@H]2CCc3ccc(F)cc32)C[C@H]1C(F)(F)F ZINC000262734026 657983389 /nfs/dbraw/zinc/98/33/89/657983389.db2.gz BXOXHZHYCHEYAV-UPJWGTAASA-N -1 3 317.282 3.008 10 0 DGAEHM C[C@H](c1ccc(Br)cc1)N1CC[C@H]2[C@@H](C1)[C@H]2C(=O)[O-] ZINC000721214140 658685769 /nfs/dbraw/zinc/68/57/69/658685769.db2.gz XZJCAPSJYSXHNQ-PCDDKUFXSA-N -1 3 324.218 3.163 10 0 DGAEHM COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1cccc(Cl)c1[O-] ZINC000183387214 660109929 /nfs/dbraw/zinc/10/99/29/660109929.db2.gz JKVDQHVYHQISBL-UGFHNGPFSA-N -1 3 323.820 3.352 10 0 DGAEHM C[C@@]1(C(=O)[O-])CCCN1Cc1cccc(F)c1Br ZINC000156973062 661865649 /nfs/dbraw/zinc/86/56/49/661865649.db2.gz KEOGWYQSYDUISI-ZDUSSCGKSA-N -1 3 316.170 3.027 10 0 DGAEHM COc1cc(/C=C(/C#N)C(=O)c2cccc(C#N)c2)ccc1[O-] ZINC000092852193 662336942 /nfs/dbraw/zinc/33/69/42/662336942.db2.gz SSCGNCYQPMFPDE-CHHVJCJISA-N -1 3 304.305 3.062 10 0 DGAEHM C[C@@]1([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)CC=CCC1 ZINC000398245574 1177017175 /nfs/dbraw/zinc/01/71/75/1177017175.db2.gz IUAIYJLWIXWTLT-GFCCVEGCSA-N -1 3 321.229 3.166 10 0 DGAEHM CC[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)C1 ZINC000383900609 1177072103 /nfs/dbraw/zinc/07/21/03/1177072103.db2.gz MKBMQUYNXJBJIH-VHSXEESVSA-N -1 3 320.817 3.121 10 0 DGAEHM CCCc1sc(C(=O)Nc2nnc(OCC)[n-]2)cc1CC ZINC000228785837 1202594913 /nfs/dbraw/zinc/59/49/13/1202594913.db2.gz QUEOLFHNSWHLKB-UHFFFAOYSA-N -1 3 308.407 3.032 10 0 DGAEHM CCCc1sc(C(=O)Nc2n[n-]c(OCC)n2)cc1CC ZINC000228785837 1202594914 /nfs/dbraw/zinc/59/49/14/1202594914.db2.gz QUEOLFHNSWHLKB-UHFFFAOYSA-N -1 3 308.407 3.032 10 0 DGAEHM CCCc1sc(C(=O)Nc2nc(OCC)n[n-]2)cc1CC ZINC000228785837 1202594915 /nfs/dbraw/zinc/59/49/15/1202594915.db2.gz QUEOLFHNSWHLKB-UHFFFAOYSA-N -1 3 308.407 3.032 10 0 DGAEHM CC(C)(C)C(C)(C)C[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000313176917 1094996477 /nfs/dbraw/zinc/99/64/77/1094996477.db2.gz KADAXNBKGUELGG-UHFFFAOYSA-N -1 3 322.833 3.225 10 0 DGAEHM O=C(N=C([O-])Nc1ccccc1)c1c(Cl)nsc1Cl ZINC000090635920 185307740 /nfs/dbraw/zinc/30/77/40/185307740.db2.gz SUNJDDWQVMZYET-UHFFFAOYSA-N -1 3 316.169 3.412 10 0 DGAEHM O=C([N-]C(=O)c1c(Cl)nsc1Cl)Nc1ccccc1 ZINC000090635920 185307741 /nfs/dbraw/zinc/30/77/41/185307741.db2.gz SUNJDDWQVMZYET-UHFFFAOYSA-N -1 3 316.169 3.412 10 0 DGAEHM C[C@@H](O)C[C@@H]1CCCCN1C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000279762019 215125214 /nfs/dbraw/zinc/12/52/14/215125214.db2.gz MAPMDOSZBXDSSR-HIFRSBDPSA-N -1 3 317.429 3.037 10 0 DGAEHM O=C([N-]c1nc2ccccn2n1)c1ccc(-c2ccc(F)cc2)o1 ZINC000132709281 432052971 /nfs/dbraw/zinc/05/29/71/432052971.db2.gz KTMVECKFJJAZPS-UHFFFAOYSA-N -1 3 322.299 3.381 10 0 DGAEHM CCO[C@@H]1C[C@H](N(C)C(=O)c2ccccc2[O-])C12CCCC2 ZINC000134120949 432074175 /nfs/dbraw/zinc/07/41/75/432074175.db2.gz QOHSBKZYGGEASG-JKSUJKDBSA-N -1 3 303.402 3.202 10 0 DGAEHM COc1ccc(C(=O)N2CCC[C@@H]2c2csc(C)n2)c([O-])c1 ZINC000187128436 200065603 /nfs/dbraw/zinc/06/56/03/200065603.db2.gz TUNNYQSMKXDLBK-CQSZACIVSA-N -1 3 318.398 3.143 10 0 DGAEHM Cc1ccc(C(=O)NCC2CCN(c3ccccc3)CC2)c([O-])c1 ZINC000436797196 238540756 /nfs/dbraw/zinc/54/07/56/238540756.db2.gz YTUGHADDTJQBLK-UHFFFAOYSA-N -1 3 324.424 3.347 10 0 DGAEHM O=C([O-])[C@@H]1CCC[C@@H]1CNCc1ccccc1Br ZINC000089442142 304117462 /nfs/dbraw/zinc/11/74/62/304117462.db2.gz IQNVVOQYWZEUFW-ZYHUDNBSSA-N -1 3 312.207 3.040 10 0 DGAEHM Cc1cccc(C(=O)N2C[C@@H](c3ccccc3)OC[C@@H]2C)c1[O-] ZINC000171209406 432113557 /nfs/dbraw/zinc/11/35/57/432113557.db2.gz KNVAIWAVRDPIOH-YOEHRIQHSA-N -1 3 311.381 3.303 10 0 DGAEHM C[C@@H]1C[C@@H](CC(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)CC(C)(C)C1 ZINC000473853031 244351992 /nfs/dbraw/zinc/35/19/92/244351992.db2.gz CSRLFFPMUNSBPI-IPYPFGDCSA-N -1 3 319.449 3.474 10 0 DGAEHM COc1ccc2nc(C(=O)Nc3cccc([O-])c3F)ccc2c1 ZINC000129685726 284420105 /nfs/dbraw/zinc/42/01/05/284420105.db2.gz XLSLKCNABICEDI-UHFFFAOYSA-N -1 3 312.300 3.340 10 0 DGAEHM C[C@@H](c1ccccc1Cl)N1CCN(CCCCC(=O)[O-])CC1 ZINC000181582137 296238646 /nfs/dbraw/zinc/23/86/46/296238646.db2.gz WSMPJHZPDVKDOD-AWEZNQCLSA-N -1 3 324.852 3.274 10 0 DGAEHM CC[C@](C(=O)[O-])(c1ccc(Br)cc1)N1CCCC1 ZINC000037359655 182883460 /nfs/dbraw/zinc/88/34/60/182883460.db2.gz KBAVQUPSMJISOS-CQSZACIVSA-N -1 3 312.207 3.235 10 0 DGAEHM CC(C)(C(=O)NCc1ccc([O-])c(F)c1)c1ccccc1F ZINC000152990457 284652153 /nfs/dbraw/zinc/65/21/53/284652153.db2.gz BXQLXVKRPGSHLO-UHFFFAOYSA-N -1 3 305.324 3.264 10 0 DGAEHM Cc1cccnc1NC(=O)c1c[n-]c2cc(Cl)ccc2c1=O ZINC000041056061 183160073 /nfs/dbraw/zinc/16/00/73/183160073.db2.gz GHXCLWYWJZAZPO-UHFFFAOYSA-N -1 3 313.744 3.137 10 0 DGAEHM Cc1cccnc1NC(=O)c1cnc2cc(Cl)ccc2c1[O-] ZINC000041056061 183160076 /nfs/dbraw/zinc/16/00/76/183160076.db2.gz GHXCLWYWJZAZPO-UHFFFAOYSA-N -1 3 313.744 3.137 10 0 DGAEHM Cc1cc(Nc2nc3c(c(=O)[n-]2)CCC3)ccc1Br ZINC000041599864 183207878 /nfs/dbraw/zinc/20/78/78/183207878.db2.gz CAIOPNWZCDDFCZ-UHFFFAOYSA-N -1 3 320.190 3.073 10 0 DGAEHM Cc1ccc(-c2cc(=O)[n-]c(NCc3ccc(F)cc3)n2)cc1 ZINC000057342081 184034102 /nfs/dbraw/zinc/03/41/02/184034102.db2.gz KMOVZQBSVCMCID-UHFFFAOYSA-N -1 3 309.344 3.497 10 0 DGAEHM CCN(CC)[C@H](CC(=O)[O-])c1ccccc1Br ZINC000057629322 184042539 /nfs/dbraw/zinc/04/25/39/184042539.db2.gz RHPCHXNOHUBFOD-GFCCVEGCSA-N -1 3 300.196 3.307 10 0 DGAEHM C[C@@H](NCc1ccc([O-])c(Br)c1)c1ccncc1 ZINC000057987323 184064637 /nfs/dbraw/zinc/06/46/37/184064637.db2.gz WALKJFKZZNEWEA-SNVBAGLBSA-N -1 3 307.191 3.401 10 0 DGAEHM Cc1cccc(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)c1 ZINC000064342928 184294746 /nfs/dbraw/zinc/29/47/46/184294746.db2.gz FSWJHGLCXUVCRP-UHFFFAOYSA-N -1 3 319.364 3.306 10 0 DGAEHM CC(C)[C@H](C(=O)Nc1cc(-c2nccn2C)[n-]n1)c1ccccc1 ZINC000119618477 195004199 /nfs/dbraw/zinc/00/41/99/195004199.db2.gz MRDGZKQAKZUBTD-INIZCTEOSA-N -1 3 323.400 3.189 10 0 DGAEHM CC(C)[C@H](C(=O)Nc1cc(-c2nccn2C)n[n-]1)c1ccccc1 ZINC000119618477 195004202 /nfs/dbraw/zinc/00/42/02/195004202.db2.gz MRDGZKQAKZUBTD-INIZCTEOSA-N -1 3 323.400 3.189 10 0 DGAEHM CC(C)c1ccc(N)cc1NC(=O)c1c[n-]c2ccccc2c1=O ZINC000113739833 400381420 /nfs/dbraw/zinc/38/14/20/400381420.db2.gz WHWORLMSSBJITE-UHFFFAOYSA-N -1 3 321.380 3.486 10 0 DGAEHM CC(C)c1ccc(N)cc1NC(=O)c1cnc2ccccc2c1[O-] ZINC000113739833 400381423 /nfs/dbraw/zinc/38/14/23/400381423.db2.gz WHWORLMSSBJITE-UHFFFAOYSA-N -1 3 321.380 3.486 10 0 DGAEHM O=C([O-])[C@@H]1CCC[C@@H](NCc2sccc2Br)C1 ZINC000070557655 400353162 /nfs/dbraw/zinc/35/31/62/400353162.db2.gz QIPTUSQFOMNAHD-RKDXNWHRSA-N -1 3 318.236 3.244 10 0 DGAEHM CCOC(=O)c1ncc(NC(=O)CC/C=C\c2ccccc2)[n-]1 ZINC000617873533 400470368 /nfs/dbraw/zinc/47/03/68/400470368.db2.gz AZGMWYODLLEZAT-POHAHGRESA-N -1 3 313.357 3.019 10 0 DGAEHM CCOC(=O)c1nc(NC(=O)CC/C=C\c2ccccc2)c[n-]1 ZINC000617873533 400470370 /nfs/dbraw/zinc/47/03/70/400470370.db2.gz AZGMWYODLLEZAT-POHAHGRESA-N -1 3 313.357 3.019 10 0 DGAEHM COc1ccc([C@@H](C)NC(=O)c2cc(C)ccc2[O-])cc1OC ZINC000045382029 400520227 /nfs/dbraw/zinc/52/02/27/400520227.db2.gz MOUAHNCRQBFKGJ-GFCCVEGCSA-N -1 3 315.369 3.209 10 0 DGAEHM CC(=O)c1ccc(C(=O)N[C@@H](C)C2CCC(F)CC2)cc1[O-] ZINC000619955302 400937528 /nfs/dbraw/zinc/93/75/28/400937528.db2.gz ZIFYMKHJLWSWNY-JKDOVBDQSA-N -1 3 307.365 3.241 10 0 DGAEHM O=C([N-]N=Cc1ccc(Cl)cc1)c1ccccc1[N+](=O)[O-] ZINC000257353049 401109631 /nfs/dbraw/zinc/10/96/31/401109631.db2.gz PBMVHAPHQJSMNQ-UHFFFAOYSA-N -1 3 303.705 3.012 10 0 DGAEHM CC(C)c1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)cc1N ZINC000059082860 401089571 /nfs/dbraw/zinc/08/95/71/401089571.db2.gz OLMOUBNQUSAERW-UHFFFAOYSA-N -1 3 321.380 3.486 10 0 DGAEHM CC(C)c1ccc(NC(=O)c2cnc3ccccc3c2[O-])cc1N ZINC000059082860 401089574 /nfs/dbraw/zinc/08/95/74/401089574.db2.gz OLMOUBNQUSAERW-UHFFFAOYSA-N -1 3 321.380 3.486 10 0 DGAEHM Cc1ccc(NC(=O)c2cccc([O-])c2)cc1NC(=O)N(C)C ZINC000358437157 286062658 /nfs/dbraw/zinc/06/26/58/286062658.db2.gz AUDQCWZBDQBBPK-UHFFFAOYSA-N -1 3 313.357 3.046 10 0 DGAEHM CCC(F)(F)CNCc1cc(Br)c([O-])c(OC)c1 ZINC000623680603 401567849 /nfs/dbraw/zinc/56/78/49/401567849.db2.gz RHTUSQBLGVJIDD-UHFFFAOYSA-N -1 3 324.165 3.298 10 0 DGAEHM CC[C@H](NC(=O)c1cc([O-])cc(Br)c1)C(C)C ZINC000624593933 401673898 /nfs/dbraw/zinc/67/38/98/401673898.db2.gz IPFPAMYQDHKUJT-LBPRGKRZSA-N -1 3 300.196 3.319 10 0 DGAEHM CC(=O)c1cnc([N-]C(=O)c2c(F)c(F)cc(F)c2F)s1 ZINC000360113411 286426126 /nfs/dbraw/zinc/42/61/26/286426126.db2.gz CDPXWYBCDWMOMW-UHFFFAOYSA-N -1 3 318.251 3.154 10 0 DGAEHM O=[S@](Cc1ccn(-c2ccc(F)cc2)n1)c1cccc([O-])c1 ZINC000184066798 164967400 /nfs/dbraw/zinc/96/74/00/164967400.db2.gz TZJGGGNMORLMKE-JOCHJYFZSA-N -1 3 316.357 3.025 10 0 DGAEHM COc1cccc(C(=O)N2Cc3ccccc3C3(CC3)C2)c1[O-] ZINC000187296415 165085952 /nfs/dbraw/zinc/08/59/52/165085952.db2.gz CNVKEUAULCYOJN-UHFFFAOYSA-N -1 3 309.365 3.088 10 0 DGAEHM O=C(NCc1ccc(C2CC2)cc1)c1c[n-]c2ccccc2c1=O ZINC000191309560 165242089 /nfs/dbraw/zinc/24/20/89/165242089.db2.gz SBFLNHPUXZTEKF-UHFFFAOYSA-N -1 3 318.376 3.336 10 0 DGAEHM O=C(N[C@H](c1ccccc1)c1ccncc1)c1ccc(O)cc1[O-] ZINC000194106194 165337356 /nfs/dbraw/zinc/33/73/56/165337356.db2.gz MACKKUZREDKVSN-GOSISDBHSA-N -1 3 320.348 3.012 10 0 DGAEHM O=C(c1ccc2ccccc2c1[O-])N1CCCC[C@@H]1c1nnc[nH]1 ZINC000182108089 432158332 /nfs/dbraw/zinc/15/83/32/432158332.db2.gz AGCLFICTNCALBH-OAHLLOKOSA-N -1 3 322.368 3.031 10 0 DGAEHM Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)c1cccc([O-])c1 ZINC000137321263 432175651 /nfs/dbraw/zinc/17/56/51/432175651.db2.gz QNBZBASEXJEFFS-NSHDSACASA-N -1 3 301.390 3.143 10 0 DGAEHM Cc1csc(C2CCN(C(=O)c3cccc([O-])c3)CC2)n1 ZINC000182298423 432175843 /nfs/dbraw/zinc/17/58/43/432175843.db2.gz PLQQPAXNNLTIKJ-UHFFFAOYSA-N -1 3 302.399 3.177 10 0 DGAEHM O=C(c1cc([O-])c2ccccc2c1)N1CCO[C@H](c2ccco2)C1 ZINC000370049325 271337258 /nfs/dbraw/zinc/33/72/58/271337258.db2.gz HXZNOFYJSRBGPH-SFHVURJKSA-N -1 3 323.348 3.352 10 0 DGAEHM CCOC(=O)[C@@H](CC)SCc1noc(-c2ccccc2[O-])n1 ZINC000370607835 271373920 /nfs/dbraw/zinc/37/39/20/271373920.db2.gz ZIWHSPLRPQZTLQ-GFCCVEGCSA-N -1 3 322.386 3.017 10 0 DGAEHM COC(=O)c1coc(C(=O)[N-]c2nc3ccc(C)cc3s2)c1 ZINC000183681104 277171139 /nfs/dbraw/zinc/17/11/39/277171139.db2.gz NBHIBRNEZJNGOD-UHFFFAOYSA-N -1 3 316.338 3.237 10 0 DGAEHM CC1(C)C[C@@H](NC(=O)/C=C/c2cncc([O-])c2)c2ccccc2O1 ZINC000182110891 278360670 /nfs/dbraw/zinc/36/06/70/278360670.db2.gz VSGPTVQVMHMGAX-KXPUMZMLSA-N -1 3 324.380 3.219 10 0 DGAEHM CC(C)C[C@H](CN[C@@H]1CCc2cc(F)c(F)c(F)c21)C(=O)[O-] ZINC000263093269 279164448 /nfs/dbraw/zinc/16/44/48/279164448.db2.gz USDBCJRBMYVKCG-ZYHUDNBSSA-N -1 3 315.335 3.428 10 0 DGAEHM O=S(=O)([N-]C[C@@H]1C[C@H]1c1ccccc1)c1ccc(F)c(F)c1 ZINC000111358160 431215486 /nfs/dbraw/zinc/21/54/86/431215486.db2.gz UMMODPOWXRQITL-JSGCOSHPSA-N -1 3 323.364 3.047 10 0 DGAEHM CCN(C(=O)c1cc(OC)ccc1[O-])[C@@H](C)c1cccnc1 ZINC000115223043 431440084 /nfs/dbraw/zinc/44/00/84/431440084.db2.gz WQYDTVWTSWTLST-LBPRGKRZSA-N -1 3 300.358 3.019 10 0 DGAEHM O=C(Nc1cc(F)ccc1[O-])c1csc(C(F)(F)F)n1 ZINC000189476792 280010194 /nfs/dbraw/zinc/01/01/94/280010194.db2.gz PSJAHMYMDLNTCZ-UHFFFAOYSA-N -1 3 306.240 3.259 10 0 DGAEHM O=C([O-])[C@@H]1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21 ZINC000091690873 280071894 /nfs/dbraw/zinc/07/18/94/280071894.db2.gz LCJVHOYFWSVEOW-GOSISDBHSA-N -1 3 323.392 3.334 10 0 DGAEHM Cc1cc([N-]C(=O)[C@H](C)N2CC=C(c3cccs3)CC2)on1 ZINC000117896191 431582048 /nfs/dbraw/zinc/58/20/48/431582048.db2.gz VUPRMZKPKOBNJP-LBPRGKRZSA-N -1 3 317.414 3.161 10 0 DGAEHM COc1cccc(C(=O)N2CCC(c3ccccc3)CC2)c1[O-] ZINC000123464644 431865880 /nfs/dbraw/zinc/86/58/80/431865880.db2.gz CQUMRQFPYIZHAU-UHFFFAOYSA-N -1 3 311.381 3.421 10 0 DGAEHM CCC1=C[C@@H]2CN3CCc4c5ccccc5[nH]c4[C@@](C(=O)[O-])(C2)[C@@H]13 ZINC000035636694 431832530 /nfs/dbraw/zinc/83/25/30/431832530.db2.gz QTHYWTOIDWEUIY-UOXRKKOCSA-N -1 3 322.408 3.087 10 0 in-vitro DGAEHM Cc1ccc([C@@H](C)[N-]S(=O)(=O)c2ccc(F)cc2Cl)o1 ZINC000044303341 431872956 /nfs/dbraw/zinc/87/29/56/431872956.db2.gz WOHGEDVIZTVANC-SECBINFHSA-N -1 3 317.769 3.420 10 0 DGAEHM CN(Cc1ccc(F)cc1Cl)C(=O)c1c([O-])cccc1O ZINC000092121353 431907725 /nfs/dbraw/zinc/90/77/25/431907725.db2.gz RWECVUUIQKNVNM-UHFFFAOYSA-N -1 3 309.724 3.163 10 0 DGAEHM O=C([N-]c1nc(-c2ccccn2)cs1)c1ncc(F)cc1F ZINC000192061763 432328736 /nfs/dbraw/zinc/32/87/36/432328736.db2.gz NQFILRQIHWKYSE-UHFFFAOYSA-N -1 3 318.308 3.131 10 0 DGAEHM C[C@H]1CCN(C(=O)c2ccc3n[n-]nc3c2)[C@H]1c1cccc(F)c1 ZINC000174434839 432346803 /nfs/dbraw/zinc/34/68/03/432346803.db2.gz DSKCXXQYEUIADE-APPDUMDISA-N -1 3 324.359 3.320 10 0 DGAEHM Cc1cc(=O)[n-]c([C@@H](C)N(C)Cc2nc3c(s2)CCCC3)n1 ZINC000192610196 432391791 /nfs/dbraw/zinc/39/17/91/432391791.db2.gz ZBRIRIQEEXPKTR-LLVKDONJSA-N -1 3 318.446 3.019 10 0 DGAEHM Cc1nc(C(=O)[N-]c2n[nH]c(C3CCC3)n2)c(-c2ccccc2)o1 ZINC000184547384 432405072 /nfs/dbraw/zinc/40/50/72/432405072.db2.gz ZSHZWUHKWWXJCL-UHFFFAOYSA-N -1 3 323.356 3.288 10 0 DGAEHM CC[C@H]([N-]S(=O)(=O)c1c(C)cccc1F)c1nccs1 ZINC000184818906 432436785 /nfs/dbraw/zinc/43/67/85/432436785.db2.gz IEAIDDMAKXCLQJ-NSHDSACASA-N -1 3 314.407 3.020 10 0 DGAEHM CC[C@@H]([N-]S(=O)(=O)c1c(C)cccc1F)c1nccs1 ZINC000184818926 432437152 /nfs/dbraw/zinc/43/71/52/432437152.db2.gz IEAIDDMAKXCLQJ-LLVKDONJSA-N -1 3 314.407 3.020 10 0 DGAEHM Cc1cc(=O)[n-]c([C@H](C)N[C@@H](C)c2cccc(-n3ccnc3)c2)n1 ZINC000192774763 432413185 /nfs/dbraw/zinc/41/31/85/432413185.db2.gz PCTPTMMUTALUSQ-KBPBESRZSA-N -1 3 323.400 3.088 10 0 DGAEHM O=C([N-]N=Cc1ccccc1Cl)c1ccccc1[N+](=O)[O-] ZINC000257351171 432427466 /nfs/dbraw/zinc/42/74/66/432427466.db2.gz CLCLTFOLFHJXNZ-UHFFFAOYSA-N -1 3 303.705 3.012 10 0 DGAEHM C[C@H](C(=O)N1CC[C@H](C)c2cccc([O-])c21)C1CCOCC1 ZINC000186321844 432581612 /nfs/dbraw/zinc/58/16/12/432581612.db2.gz UOTKTVGTDRFDKL-STQMWFEESA-N -1 3 303.402 3.295 10 0 DGAEHM CCOC[C@H]1CCCN(C(=O)c2ccc3c(c2[O-])CCCC3)C1 ZINC000186366414 432587863 /nfs/dbraw/zinc/58/78/63/432587863.db2.gz GWVULQIIHGURKO-AWEZNQCLSA-N -1 3 317.429 3.160 10 0 DGAEHM CCc1ccccc1S(=O)(=O)[N-]c1ccc2c(C)[nH]nc2c1 ZINC000187605475 432672196 /nfs/dbraw/zinc/67/21/96/432672196.db2.gz GCXZMBCYADCQKS-UHFFFAOYSA-N -1 3 315.398 3.235 10 0 DGAEHM COc1ccc2[nH]c(C(=O)Nc3ccc([O-])cc3F)cc2c1 ZINC000189355672 432781610 /nfs/dbraw/zinc/78/16/10/432781610.db2.gz ZBJIHJQZLKNNKK-UHFFFAOYSA-N -1 3 300.289 3.274 10 0 DGAEHM Cc1cc(C)c2[n-]cc(C(=O)N(CC3CC3)CC3CC3)c(=O)c2c1 ZINC000361444085 433175003 /nfs/dbraw/zinc/17/50/03/433175003.db2.gz HGVNDAMJURIPSQ-UHFFFAOYSA-N -1 3 324.424 3.407 10 0 DGAEHM O=S(=O)([N-][C@H]1C[C@H](c2cccc(Cl)c2)C1)c1ccco1 ZINC000366615159 292968789 /nfs/dbraw/zinc/96/87/89/292968789.db2.gz AZHPFRLRXLBXBZ-AULYBMBSSA-N -1 3 311.790 3.158 10 0 DGAEHM CCc1cc(=O)[n-]c(-c2ccc(N(C)Cc3ccc(C)o3)nc2)n1 ZINC000301747337 433702083 /nfs/dbraw/zinc/70/20/83/433702083.db2.gz ZAVFMEZXMMZCMU-UHFFFAOYSA-N -1 3 324.384 3.344 10 0 DGAEHM O=C(c1cc([O-])c2ccccc2c1)N1CC[C@@H]([C@H]2CCOC2)C1 ZINC000376239286 293630869 /nfs/dbraw/zinc/63/08/69/293630869.db2.gz KIQHHJHVFMXCPP-CABCVRRESA-N -1 3 311.381 3.044 10 0 DGAEHM CCCN(C(=O)c1cccc([O-])c1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000357312353 433946594 /nfs/dbraw/zinc/94/65/94/433946594.db2.gz PCWQUKZUYOWKEU-HZPDHXFCSA-N -1 3 305.418 3.448 10 0 DGAEHM CCCCO[C@@H]1C[C@H](N(C)C(=O)c2cccc([O-])c2)C1(C)C ZINC000357314462 433947462 /nfs/dbraw/zinc/94/74/62/433947462.db2.gz SQYHVGBCMJAGSV-JKSUJKDBSA-N -1 3 305.418 3.448 10 0 DGAEHM CCc1ccc(C(=O)Nc2ccc(N3CCCC3)nc2)c([O-])c1 ZINC000436801787 434117361 /nfs/dbraw/zinc/11/73/61/434117361.db2.gz FPQDVUWDDVLSEL-UHFFFAOYSA-N -1 3 311.385 3.202 10 0 DGAEHM O=C(Nc1cnc2c(c1)COCC2)c1cc([O-])c2ccccc2c1 ZINC000366244716 434371373 /nfs/dbraw/zinc/37/13/73/434371373.db2.gz GFEOFIQDORSAEW-UHFFFAOYSA-N -1 3 320.348 3.265 10 0 DGAEHM CC(=O)N(C)c1cccc(NCc2c(F)ccc([O-])c2F)c1 ZINC000438853514 434538080 /nfs/dbraw/zinc/53/80/80/434538080.db2.gz PMTSSBRYUFPUIF-UHFFFAOYSA-N -1 3 306.312 3.265 10 0 DGAEHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000527499733 295099055 /nfs/dbraw/zinc/09/90/55/295099055.db2.gz UQZYKUYTELRYFF-KQTLUZQSSA-N -1 3 317.433 3.228 10 0 DGAEHM O=C(Cc1cccc2ccccc21)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000527500102 295099198 /nfs/dbraw/zinc/09/91/98/295099198.db2.gz VQYMNVOIZZWYPQ-KRWDZBQOSA-N -1 3 321.380 3.018 10 0 DGAEHM CC1(C)CCCC[C@H]1CC(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000527499488 295099201 /nfs/dbraw/zinc/09/92/01/295099201.db2.gz HPWALBSPVPVPGQ-JSGCOSHPSA-N -1 3 305.422 3.228 10 0 DGAEHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000527499732 295099260 /nfs/dbraw/zinc/09/92/60/295099260.db2.gz UQZYKUYTELRYFF-CTASWTNQSA-N -1 3 317.433 3.228 10 0 DGAEHM Cc1ccc([O-])c(-c2nc(-c3ccc(OC(F)F)cn3)no2)c1 ZINC000445521597 434809740 /nfs/dbraw/zinc/80/97/40/434809740.db2.gz RUQZUQKLTOXUNY-UHFFFAOYSA-N -1 3 319.267 3.414 10 0 DGAEHM CC(=O)c1cc(I)c(C(F)F)cc1[O-] ZINC000575669652 435041543 /nfs/dbraw/zinc/04/15/43/435041543.db2.gz HVWOCBUZIOTCJS-UHFFFAOYSA-N -1 3 312.053 3.137 10 0 DGAEHM [O-]c1cc(I)cc(F)c1OC(F)(F)F ZINC000575706980 435048999 /nfs/dbraw/zinc/04/89/99/435048999.db2.gz DXCPLSLGVLEYHA-UHFFFAOYSA-N -1 3 321.995 3.035 10 0 DGAEHM CC(=O)c1cccc(NC(=O)c2oc(C3CC3)nc2C)c1[O-] ZINC000515906236 435508206 /nfs/dbraw/zinc/50/82/06/435508206.db2.gz JDOAJVAUXPZDJP-UHFFFAOYSA-N -1 3 300.314 3.021 10 0 DGAEHM O=c1nc(-c2cscn2)[n-]c2sc3c(c21)CCSC3 ZINC000520704141 435767637 /nfs/dbraw/zinc/76/76/37/435767637.db2.gz HSLGQQVEHJFYMW-UHFFFAOYSA-N -1 3 307.425 3.310 10 0 DGAEHM CCc1onc(C)c1[N-]C(=O)c1cnc(-c2ccncc2)s1 ZINC000179020343 312795707 /nfs/dbraw/zinc/79/57/07/312795707.db2.gz OLTBMGCJGARENP-UHFFFAOYSA-N -1 3 314.370 3.316 10 0 DGAEHM C[C@@H](NC(=O)c1cc([O-])cc(Br)c1)C(C)(C)C ZINC000529516421 313213762 /nfs/dbraw/zinc/21/37/62/313213762.db2.gz SQUFCHHMMDQKGC-MRVPVSSYSA-N -1 3 300.196 3.319 10 0 DGAEHM O=C(NCc1ccc([O-])c(F)c1)c1c[nH]c2cc(F)ccc12 ZINC000181229213 323249616 /nfs/dbraw/zinc/24/96/16/323249616.db2.gz ILABIALCEPJQPR-UHFFFAOYSA-N -1 3 302.280 3.082 10 0 DGAEHM Cc1nnc(NC(=O)c2cc([O-])c3ccccc3c2)n1C1CC1 ZINC000357320492 546698404 /nfs/dbraw/zinc/69/84/04/546698404.db2.gz NMQSNBCDWDCNKR-UHFFFAOYSA-N -1 3 308.341 3.033 10 0 DGAEHM COCCN(CC(C)C)C(=O)c1cc([O-])c2ccccc2c1 ZINC000471702884 546901823 /nfs/dbraw/zinc/90/18/23/546901823.db2.gz QSBJJZVFTQPTCD-UHFFFAOYSA-N -1 3 301.386 3.290 10 0 DGAEHM O=C(N[C@H]1Cc2cccc(O)c2C1)c1cc([O-])c2ccccc2c1 ZINC000527470230 546970737 /nfs/dbraw/zinc/97/07/37/546970737.db2.gz AKEHFNUQCSALNK-HNNXBMFYSA-N -1 3 319.360 3.148 10 0 DGAEHM CO[C@@]1(C)C[C@@H](NC(=O)c2cc([O-])c3ccccc3c2)C1(C)C ZINC000527467340 546970897 /nfs/dbraw/zinc/97/08/97/546970897.db2.gz NRHKQPQCDJJZEQ-APWZRJJASA-N -1 3 313.397 3.479 10 0 DGAEHM Cc1cc([N-]S(=O)(=O)c2ccc(F)cc2C)ccc1N(C)C ZINC000731782678 574559056 /nfs/dbraw/zinc/55/90/56/574559056.db2.gz KHEOREDMJNCRRR-UHFFFAOYSA-N -1 3 322.405 3.309 10 0 DGAEHM CC(C)c1nc([C@H]2CCCN2Cc2ccc([O-])c(F)c2)no1 ZINC000891877639 617918454 /nfs/dbraw/zinc/91/84/54/617918454.db2.gz NKEHNUQCMXQHFS-CYBMUJFWSA-N -1 3 305.353 3.375 10 0 DGAEHM CCc1ccc([O-])c(C(=O)N(C)Cc2ccc(Cl)nc2)c1 ZINC000132468519 626720453 /nfs/dbraw/zinc/72/04/53/626720453.db2.gz NCJVJMXXHMEIAN-UHFFFAOYSA-N -1 3 304.777 3.275 10 0 DGAEHM C/C(=C\c1ccc(F)cc1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000178291635 655726921 /nfs/dbraw/zinc/72/69/21/655726921.db2.gz HBXOJBCXNHACJX-DHZHZOJOSA-N -1 3 303.308 3.390 10 0 DGAEHM CCCCc1cc([N-]S(=O)(=O)C=Cc2ccccc2)n[nH]1 ZINC000159942287 657331110 /nfs/dbraw/zinc/33/11/10/657331110.db2.gz XGUKPUCPSGCNDT-ZHACJKMWSA-N -1 3 305.403 3.165 10 0 DGAEHM CC[C@H]1CN(c2ccccc2)CCN1Cc1cccc(C(=O)[O-])c1 ZINC000263451333 658432723 /nfs/dbraw/zinc/43/27/23/658432723.db2.gz ZTKBJGWEHLBPII-SFHVURJKSA-N -1 3 324.424 3.486 10 0 DGAEHM Cc1cc(C(=O)[N-]N2Cc3ccccc3C2=O)c(Cl)cc1F ZINC000183827629 660141372 /nfs/dbraw/zinc/14/13/72/660141372.db2.gz KDDJLOKOIPUZFM-UHFFFAOYSA-N -1 3 318.735 3.088 10 0 DGAEHM COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1cccc(Cl)c1[O-] ZINC000245864201 662242861 /nfs/dbraw/zinc/24/28/61/662242861.db2.gz JKVDQHVYHQISBL-DFBGVHRSSA-N -1 3 323.820 3.352 10 0 DGAEHM CCC1([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)CCCCC1 ZINC000389540001 1176250695 /nfs/dbraw/zinc/25/06/95/1176250695.db2.gz FLDNSCJPBUAJDR-UHFFFAOYSA-N -1 3 320.817 3.265 10 0 DGAEHM CC(C)[C@@]1(C)C[C@@H]1[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000397197663 1177001083 /nfs/dbraw/zinc/00/10/83/1177001083.db2.gz SYKWWJUFELUSPC-CMPLNLGQSA-N -1 3 323.245 3.101 10 0 DGAEHM CC1(C)CCCC[C@@H]1[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000312874948 1199757460 /nfs/dbraw/zinc/75/74/60/1199757460.db2.gz ZETUVZXFNWQLBB-NSHDSACASA-N -1 3 320.817 3.121 10 0 DGAEHM C[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000230670572 1202598644 /nfs/dbraw/zinc/59/86/44/1202598644.db2.gz MJOSIBDUHZGXQT-RKDXNWHRSA-N -1 3 323.245 3.103 10 0 DGAEHM Cc1ccc([C@H](C)[N-]S(=O)(=O)c2cc(F)ccc2Cl)o1 ZINC000103152569 432004978 /nfs/dbraw/zinc/00/49/78/432004978.db2.gz PPQPXMBNBUSUCE-VIFPVBQESA-N -1 3 317.769 3.420 10 0 DGAEHM Cn1ccnc1-c1noc([N-]Cc2ccc(C(C)(C)C)s2)n1 ZINC000181533981 199312670 /nfs/dbraw/zinc/31/26/70/199312670.db2.gz RMHRIMBKVKQISG-UHFFFAOYSA-N -1 3 317.418 3.441 10 0 DGAEHM Cc1cnc([C@H](C)[N-]S(=O)(=O)c2cc(C)sc2C)s1 ZINC000175628585 186182236 /nfs/dbraw/zinc/18/22/36/186182236.db2.gz GGKBGXKPOKCDQP-VIFPVBQESA-N -1 3 316.473 3.169 10 0 DGAEHM Cc1cc(NCCc2ccncc2)c2cc(C(=O)[O-])ccc2n1 ZINC000004226431 181086020 /nfs/dbraw/zinc/08/60/20/181086020.db2.gz MNDXYMWHTQPILV-UHFFFAOYSA-N -1 3 307.353 3.291 10 0 DGAEHM Cc1cc(NCCc2ccncc2)c2ccc(C(=O)[O-])cc2n1 ZINC000004226530 181086133 /nfs/dbraw/zinc/08/61/33/181086133.db2.gz XTIVNBBBXBWHOF-UHFFFAOYSA-N -1 3 307.353 3.291 10 0 DGAEHM O=S(=O)(c1ccc(Cl)cc1)c1cnc2ccccc2c1[O-] ZINC000004903846 181170993 /nfs/dbraw/zinc/17/09/93/181170993.db2.gz HXBZBHPCRBTCCN-UHFFFAOYSA-N -1 3 319.769 3.014 10 0 DGAEHM C[C@H]1CCN(C(=O)c2ccc(O)cc2[O-])[C@H]1c1cccc(F)c1 ZINC000179532918 199051931 /nfs/dbraw/zinc/05/19/31/199051931.db2.gz JFFKKEPIRSCLGO-APPDUMDISA-N -1 3 315.344 3.460 10 0 DGAEHM Cc1csc([C@@H](C)[N-]S(=O)(=O)c2cc(C)sc2C)n1 ZINC000170788387 432081781 /nfs/dbraw/zinc/08/17/81/432081781.db2.gz ZIKIBESKJZUBDT-SECBINFHSA-N -1 3 316.473 3.169 10 0 DGAEHM Cc1nc(CC(C)C)oc1C(=O)[N-]c1nnc(CC(C)C)s1 ZINC000188275166 200220451 /nfs/dbraw/zinc/22/04/51/200220451.db2.gz FVNJKYWEAKHRGH-UHFFFAOYSA-N -1 3 322.434 3.484 10 0 DGAEHM CO[C@@H](C)CN(Cc1cccc([O-])c1Br)C(C)C ZINC000459344768 243342907 /nfs/dbraw/zinc/34/29/07/243342907.db2.gz MRHHEMYYJUVQIP-NSHDSACASA-N -1 3 316.239 3.400 10 0 DGAEHM C[C@@H](Nc1ccc2c(c1)C(=O)[N-]C2=O)c1cccc(Cl)c1 ZINC000020017759 182179047 /nfs/dbraw/zinc/17/90/47/182179047.db2.gz TUBBSAJMWGEOHK-SECBINFHSA-N -1 3 300.745 3.397 10 0 DGAEHM Cc1ccc(C(=O)Nc2ccc(Br)cn2)c([O-])c1 ZINC000020304799 182204509 /nfs/dbraw/zinc/20/45/09/182204509.db2.gz NKVFJRDJLBKWFR-UHFFFAOYSA-N -1 3 307.147 3.110 10 0 DGAEHM Nc1c([N-]c2nc3ccccc3s2)ncnc1N1CCCC1 ZINC000040724339 183125108 /nfs/dbraw/zinc/12/51/08/183125108.db2.gz SYVQKJLRUASRIV-UHFFFAOYSA-N -1 3 312.402 3.012 10 0 DGAEHM Cc1ccc([C@H](C)[N-]S(=O)(=O)c2cc(F)c(F)cc2F)o1 ZINC000105616141 194115036 /nfs/dbraw/zinc/11/50/36/194115036.db2.gz LWZYASULIVJHDA-QMMMGPOBSA-N -1 3 319.304 3.045 10 0 DGAEHM C[C@H](CCc1ccccc1)Nc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000057342479 184034250 /nfs/dbraw/zinc/03/42/50/184034250.db2.gz KLLCEUQOIATLBK-SNVBAGLBSA-N -1 3 311.307 3.222 10 0 DGAEHM Cc1cc(Cl)ccc1C(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000119603438 195000303 /nfs/dbraw/zinc/00/03/03/195000303.db2.gz FHVPSYCYSGEOCH-UHFFFAOYSA-N -1 3 315.764 3.024 10 0 DGAEHM Cc1cc(Cl)ccc1C(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000119603438 195000305 /nfs/dbraw/zinc/00/03/05/195000305.db2.gz FHVPSYCYSGEOCH-UHFFFAOYSA-N -1 3 315.764 3.024 10 0 DGAEHM Cn1ccnc1-c1cc(NC(=O)c2csc3ccccc23)n[n-]1 ZINC000119759093 195032626 /nfs/dbraw/zinc/03/26/26/195032626.db2.gz HFKAHPGCDLUBNI-UHFFFAOYSA-N -1 3 323.381 3.277 10 0 DGAEHM Cn1ccnc1-c1cc(NC(=O)c2csc3ccccc23)[n-]n1 ZINC000119759093 195032629 /nfs/dbraw/zinc/03/26/29/195032629.db2.gz HFKAHPGCDLUBNI-UHFFFAOYSA-N -1 3 323.381 3.277 10 0 DGAEHM COc1cccc(C(=O)N[C@@H](C)c2c(F)cccc2OC)c1[O-] ZINC000174473422 533414579 /nfs/dbraw/zinc/41/45/79/533414579.db2.gz XUNQHXFIQHWQCT-JTQLQIEISA-N -1 3 319.332 3.040 10 0 DGAEHM O=C(NCCc1ccccc1Br)c1cccc([O-])c1 ZINC000357335695 285721279 /nfs/dbraw/zinc/72/12/79/285721279.db2.gz KXAXNZUSCHXSHD-UHFFFAOYSA-N -1 3 320.186 3.127 10 0 DGAEHM O=C([O-])c1cccc([C@@H]2COCCCN2Cc2ccccc2)c1 ZINC000616645892 400192491 /nfs/dbraw/zinc/19/24/91/400192491.db2.gz CHDROXVLTQKZAD-SFHVURJKSA-N -1 3 311.381 3.348 10 0 DGAEHM O=C([O-])c1ccccc1[C@H]1COCCCN1Cc1ccccc1 ZINC000616648326 400192872 /nfs/dbraw/zinc/19/28/72/400192872.db2.gz STYQXPRDFXYZKC-GOSISDBHSA-N -1 3 311.381 3.348 10 0 DGAEHM Cc1ccc([O-])c(C(=O)NCCCCOCc2ccccc2)c1 ZINC000050423900 400685903 /nfs/dbraw/zinc/68/59/03/400685903.db2.gz SLARAVADSFJEPV-UHFFFAOYSA-N -1 3 313.397 3.427 10 0 DGAEHM Cc1cc(Br)cc(I)c1[O-] ZINC000166995738 400755254 /nfs/dbraw/zinc/75/52/54/400755254.db2.gz GNFJQJOMUJAQNB-UHFFFAOYSA-N -1 3 312.932 3.068 10 0 DGAEHM CO[C@H](C)c1cccc(NC(=O)c2c[n-]c3ccccc3c2=O)c1 ZINC000171055574 400784235 /nfs/dbraw/zinc/78/42/35/400784235.db2.gz IHAJMKCRAIQVNG-GFCCVEGCSA-N -1 3 322.364 3.488 10 0 DGAEHM CO[C@H](C)c1cccc(NC(=O)c2cnc3ccccc3c2[O-])c1 ZINC000171055574 400784236 /nfs/dbraw/zinc/78/42/36/400784236.db2.gz IHAJMKCRAIQVNG-GFCCVEGCSA-N -1 3 322.364 3.488 10 0 DGAEHM O=C(N[C@@H]1CCCC12CC2)c1cc([O-])cc(Br)c1 ZINC000633782843 401100805 /nfs/dbraw/zinc/10/08/05/401100805.db2.gz RLWJVQPXGOVXNI-GFCCVEGCSA-N -1 3 310.191 3.217 10 0 DGAEHM CCCc1csc([N-]C(=O)c2snnc2C(C)(C)C)n1 ZINC000189373940 165161110 /nfs/dbraw/zinc/16/11/10/165161110.db2.gz PIAKXLLECBDEKK-UHFFFAOYSA-N -1 3 310.448 3.497 10 0 DGAEHM Cc1ccc([C@@H]2CCCCN2C(=O)/C=C/c2cncc([O-])c2)o1 ZINC000182046219 432156638 /nfs/dbraw/zinc/15/66/38/432156638.db2.gz YPWFNQNVSHRCHX-BVBGJJFLSA-N -1 3 312.369 3.456 10 0 DGAEHM Cc1csc([C@H]2CCCN(C(=O)c3cccc([O-])c3)C2)n1 ZINC000182522761 432198761 /nfs/dbraw/zinc/19/87/61/432198761.db2.gz ARCGYVYZPWSCPJ-ZDUSSCGKSA-N -1 3 302.399 3.177 10 0 DGAEHM Cc1ccc(C(=O)N(CCc2nccs2)C(C)C)c([O-])c1 ZINC000163306615 228261802 /nfs/dbraw/zinc/26/18/02/228261802.db2.gz JEAQLUKYAIWJPN-UHFFFAOYSA-N -1 3 304.415 3.250 10 0 DGAEHM C[C@H]1COCC[C@H]1C(=O)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000192827140 278460141 /nfs/dbraw/zinc/46/01/41/278460141.db2.gz XWFQFVRKPRABAY-WCBMZHEXSA-N -1 3 303.280 3.022 10 0 DGAEHM O=[S@@](Cc1coc(-c2ccc(F)cc2)n1)c1ccc([O-])cc1 ZINC000108084379 431120063 /nfs/dbraw/zinc/12/00/63/431120063.db2.gz BTNVAKVORRFJEQ-JOCHJYFZSA-N -1 3 317.341 3.494 10 0 DGAEHM Cc1ccc([O-])c(CNCc2ccccc2Br)n1 ZINC000112716911 431299887 /nfs/dbraw/zinc/29/98/87/431299887.db2.gz MRTKIRXLHUYWHG-UHFFFAOYSA-N -1 3 307.191 3.148 10 0 DGAEHM CCOc1cc(C(=O)Nc2nnc(-c3ccco3)[n-]2)ccc1C ZINC000113169513 431330868 /nfs/dbraw/zinc/33/08/68/431330868.db2.gz JEWNOMGFVMJOAT-UHFFFAOYSA-N -1 3 312.329 3.024 10 0 DGAEHM CCOc1cc(C(=O)Nc2nc(-c3ccco3)n[n-]2)ccc1C ZINC000113169513 431330875 /nfs/dbraw/zinc/33/08/75/431330875.db2.gz JEWNOMGFVMJOAT-UHFFFAOYSA-N -1 3 312.329 3.024 10 0 DGAEHM CCOc1cc(C(=O)Nc2n[n-]c(-c3ccco3)n2)ccc1C ZINC000113169513 431330880 /nfs/dbraw/zinc/33/08/80/431330880.db2.gz JEWNOMGFVMJOAT-UHFFFAOYSA-N -1 3 312.329 3.024 10 0 DGAEHM Cc1[nH]c2c(C(=O)[O-])cccc2c(=O)c1CN1CCC[C@@H](C)C1 ZINC000008713920 431404691 /nfs/dbraw/zinc/40/46/91/431404691.db2.gz USFBKVVMSNSACW-LLVKDONJSA-N -1 3 314.385 3.179 10 0 DGAEHM CCCCN(C)Cc1c(C)[nH]c2ccc(C(=O)[O-])cc2c1=O ZINC000008713937 431406499 /nfs/dbraw/zinc/40/64/99/431406499.db2.gz HYAAXKLZSNCSDI-UHFFFAOYSA-N -1 3 302.374 3.179 10 0 DGAEHM O=C(c1ccccc1[O-])N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000025529137 431659402 /nfs/dbraw/zinc/65/94/02/431659402.db2.gz WTVCVKKGRIXPCL-UHFFFAOYSA-N -1 3 310.328 3.211 10 0 DGAEHM Cc1ccc(C(=O)Nc2cc(-c3nccn3C)[n-]n2)cc1Cl ZINC000119299641 431672914 /nfs/dbraw/zinc/67/29/14/431672914.db2.gz UDQWPOSHXVPRFJ-UHFFFAOYSA-N -1 3 315.764 3.024 10 0 DGAEHM Cc1ccc(C(=O)Nc2cc(-c3nccn3C)n[n-]2)cc1Cl ZINC000119299641 431672918 /nfs/dbraw/zinc/67/29/18/431672918.db2.gz UDQWPOSHXVPRFJ-UHFFFAOYSA-N -1 3 315.764 3.024 10 0 DGAEHM Cc1ccc([C@@H](C)[N-]S(=O)(=O)c2cc(C)c(F)cc2F)o1 ZINC000084656317 431831487 /nfs/dbraw/zinc/83/14/87/431831487.db2.gz LDEKWOTZVKJTAA-SNVBAGLBSA-N -1 3 315.341 3.214 10 0 DGAEHM O=S(=O)([N-][C@@H](c1ccco1)c1ccccc1)c1cccs1 ZINC000052782352 431958523 /nfs/dbraw/zinc/95/85/23/431958523.db2.gz BKNQZHTURFUXTN-OAHLLOKOSA-N -1 3 319.407 3.409 10 0 DGAEHM Cc1csc([C@H]2CCCN(C(=O)c3cc(C)ccc3[O-])C2)n1 ZINC000173752001 432297592 /nfs/dbraw/zinc/29/75/92/432297592.db2.gz ALZAHZFAFBMWED-ZDUSSCGKSA-N -1 3 316.426 3.485 10 0 DGAEHM Cc1csc([C@H]2CCCN(C(=O)c3cccc(C)c3[O-])C2)n1 ZINC000173752137 432298471 /nfs/dbraw/zinc/29/84/71/432298471.db2.gz LLGZGHWXZOOIDO-ZDUSSCGKSA-N -1 3 316.426 3.485 10 0 DGAEHM O=C(C[C@H]1CCOc2ccccc21)Nc1cc(F)ccc1[O-] ZINC000174886596 432377299 /nfs/dbraw/zinc/37/72/99/432377299.db2.gz LAAMZGNXGQSIHT-LLVKDONJSA-N -1 3 301.317 3.426 10 0 DGAEHM CC(C)(C)c1noc(CCC(=O)Nc2ccc(Cl)cc2[O-])n1 ZINC000153493334 432412726 /nfs/dbraw/zinc/41/27/26/432412726.db2.gz WRQHZHVUYYOUCA-UHFFFAOYSA-N -1 3 323.780 3.297 10 0 DGAEHM COc1ccsc1S(=O)(=O)[N-][C@@H](C)c1ccccc1C ZINC000153966433 432461546 /nfs/dbraw/zinc/46/15/46/432461546.db2.gz FROCYBQSKBORNO-NSHDSACASA-N -1 3 311.428 3.105 10 0 DGAEHM O=C([O-])[C@@H]1CN(C/C=C/c2ccc(F)cc2)C[C@H]1C(F)(F)F ZINC000263497181 432550434 /nfs/dbraw/zinc/55/04/34/432550434.db2.gz JXQRTPWTMFYSJA-DKZVVXNFSA-N -1 3 317.282 3.034 10 0 DGAEHM CCC1(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)CCC1 ZINC000176900321 432562703 /nfs/dbraw/zinc/56/27/03/432562703.db2.gz CQYBKVHTPXUXLX-UHFFFAOYSA-N -1 3 311.385 3.264 10 0 DGAEHM CN1CCC[C@H](NCc2ccc(C(=O)[O-])cc2)c2ccccc21 ZINC000263450492 432544586 /nfs/dbraw/zinc/54/45/86/432544586.db2.gz ZILKLVBHJUMFAG-KRWDZBQOSA-N -1 3 310.397 3.446 10 0 DGAEHM Cc1nc(C2CC2)oc1C(=O)[N-]c1nnc(C(C)(C)C)s1 ZINC000273459494 432600080 /nfs/dbraw/zinc/60/00/80/432600080.db2.gz GIWJBXVUEANJOZ-UHFFFAOYSA-N -1 3 306.391 3.262 10 0 DGAEHM COc1cccc([C@@H]2C[C@@H]2C(=O)Nc2cc(F)ccc2[O-])c1 ZINC000178327079 432722767 /nfs/dbraw/zinc/72/27/67/432722767.db2.gz QRULXLGRXYVVGI-KBPBESRZSA-N -1 3 301.317 3.282 10 0 DGAEHM Cc1ccc(-c2cc(C(=O)Nc3ncccc3[O-])n[nH]2)c(C)c1 ZINC000187877819 432690383 /nfs/dbraw/zinc/69/03/83/432690383.db2.gz CFCVIEOOFAXLHF-UHFFFAOYSA-N -1 3 308.341 3.046 10 0 DGAEHM O=C(Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1)c1cccc([O-])c1 ZINC000357346812 433966038 /nfs/dbraw/zinc/96/60/38/433966038.db2.gz MWWKTZCOCVJOPM-INIZCTEOSA-N -1 3 323.352 3.372 10 0 DGAEHM Cc1ccccc1-c1cc(NC(=O)c2cccc([O-])c2)n(C)n1 ZINC000357368001 433971673 /nfs/dbraw/zinc/97/16/73/433971673.db2.gz IKNUKTICGQKHHM-UHFFFAOYSA-N -1 3 307.353 3.353 10 0 DGAEHM CC(C)c1ccc(C(=O)NC[C@@H](CO)c2ccccc2)c([O-])c1 ZINC000436588404 434028016 /nfs/dbraw/zinc/02/80/16/434028016.db2.gz SWJVJOPGVDSYJM-INIZCTEOSA-N -1 3 313.397 3.022 10 0 DGAEHM CC(=O)N(C)c1ccccc1NC(=O)c1ccc(C)c(C)c1[O-] ZINC000436538897 434001433 /nfs/dbraw/zinc/00/14/33/434001433.db2.gz RSPLOTFCATUZHQ-UHFFFAOYSA-N -1 3 312.369 3.244 10 0 DGAEHM CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)c1cccc([O-])c1 ZINC000357506581 434051221 /nfs/dbraw/zinc/05/12/21/434051221.db2.gz ZBBZNAZTRVBGED-BZNIZROVSA-N -1 3 303.333 3.037 10 0 DGAEHM CO[C@@H](C)[C@H](C)NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436864680 434140660 /nfs/dbraw/zinc/14/06/60/434140660.db2.gz NSUXEQBXJRTNRW-STQMWFEESA-N -1 3 315.369 3.338 10 0 DGAEHM Cc1cccc(C(=O)NCCCCOCc2ccccc2)c1[O-] ZINC000379437811 434254529 /nfs/dbraw/zinc/25/45/29/434254529.db2.gz IGXGZSNLCRJYHK-UHFFFAOYSA-N -1 3 313.397 3.427 10 0 DGAEHM O=C(NCc1ccc(OC(F)F)c(F)c1)c1cccc([O-])c1 ZINC000358106236 434332578 /nfs/dbraw/zinc/33/25/78/434332578.db2.gz PYWMTLAXVHEZAZ-UHFFFAOYSA-N -1 3 311.259 3.063 10 0 DGAEHM C[C@H]1CCN(C(=O)C[C@H]2CCCCNC2=O)c2c([O-])cccc21 ZINC000329810539 434481545 /nfs/dbraw/zinc/48/15/45/434481545.db2.gz BOTUOEWVOSAZEW-QWHCGFSZSA-N -1 3 316.401 3.379 10 0 DGAEHM CC(C)c1cc([N-]C(=O)c2nscc2Br)on1 ZINC000404717853 434520175 /nfs/dbraw/zinc/52/01/75/434520175.db2.gz BOEISVPZMPKDKH-UHFFFAOYSA-N -1 3 316.180 3.269 10 0 DGAEHM CCCC[C@H](NC(=O)c1cc([O-])c2ccccc2c1)C(=O)OC ZINC000527173279 295081708 /nfs/dbraw/zinc/08/17/08/295081708.db2.gz ZYKPESWXTJJUKV-HNNXBMFYSA-N -1 3 315.369 3.007 10 0 DGAEHM Cc1ccc(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)c(F)c1Cl ZINC000527209166 295083468 /nfs/dbraw/zinc/08/34/68/295083468.db2.gz GBSQIAISKZMXON-NSHDSACASA-N -1 3 323.755 3.036 10 0 DGAEHM [O-]c1c(Br)cc(OC(F)F)cc1OC(F)F ZINC000575677043 435043384 /nfs/dbraw/zinc/04/33/84/435043384.db2.gz QTEPNJOGSRFSTP-UHFFFAOYSA-N -1 3 305.021 3.358 10 0 DGAEHM Cc1c(Br)ccc([O-])c1I ZINC000575693431 435045182 /nfs/dbraw/zinc/04/51/82/435045182.db2.gz UVVFTMMZDUIYKW-UHFFFAOYSA-N -1 3 312.932 3.068 10 0 DGAEHM Cc1c([O-])cc(Br)cc1I ZINC000575693404 435045724 /nfs/dbraw/zinc/04/57/24/435045724.db2.gz SYGFJOIXQXPFIN-UHFFFAOYSA-N -1 3 312.932 3.068 10 0 DGAEHM CCOC(=O)c1c([O-])cc(Br)cc1C(F)(F)F ZINC000575700275 435047466 /nfs/dbraw/zinc/04/74/66/435047466.db2.gz SNEAVLIZHHLPPO-UHFFFAOYSA-N -1 3 313.069 3.350 10 0 DGAEHM CCOC(=O)c1cc(C(F)(F)F)c(Br)cc1[O-] ZINC000575700694 435047627 /nfs/dbraw/zinc/04/76/27/435047627.db2.gz XFGUQIZXGFTXHZ-UHFFFAOYSA-N -1 3 313.069 3.350 10 0 DGAEHM [O-]c1c(F)cc(I)cc1OC(F)(F)F ZINC000575707295 435048831 /nfs/dbraw/zinc/04/88/31/435048831.db2.gz UHWJEDFFAFAKMA-UHFFFAOYSA-N -1 3 321.995 3.035 10 0 DGAEHM CC(=O)c1ccc(C(=O)N[C@H](c2ccccn2)C2CCC2)cc1[O-] ZINC000529829175 313273230 /nfs/dbraw/zinc/27/32/30/313273230.db2.gz CHSTZHQUAFJHLG-SFHVURJKSA-N -1 3 324.380 3.261 10 0 DGAEHM C[C@@H]1CCN(C(=O)N=c2cc3ccccn3[n-]2)[C@@H](c2ccco2)C1 ZINC000554416279 314680016 /nfs/dbraw/zinc/68/00/16/314680016.db2.gz LELSVOIEMRUWQB-UKRRQHHQSA-N -1 3 324.384 3.354 10 0 DGAEHM O=C1NC(=O)C(c2ccc([C@H]3CCCc4ccccc43)cc2)=C1[O-] ZINC000584619699 337370565 /nfs/dbraw/zinc/37/05/65/337370565.db2.gz KZUSXWIZWNEUQZ-MRXNPFEDSA-N -1 3 319.360 3.080 10 0 DGAEHM Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)c1cccc(C)c1[O-] ZINC000156212944 527583412 /nfs/dbraw/zinc/58/34/12/527583412.db2.gz QJQOFPHABUFGAM-GFCCVEGCSA-N -1 3 315.417 3.452 10 0 DGAEHM CCc1cc(=O)[n-]c(CN[C@H](C)c2ccc(F)c(Cl)c2)n1 ZINC000180724978 546147490 /nfs/dbraw/zinc/14/74/90/546147490.db2.gz MZHIYOGAVBLOPX-SECBINFHSA-N -1 3 309.772 3.388 10 0 DGAEHM [O-]c1cccc(CN[C@H]2CCCC2(F)F)c1Br ZINC000398020976 546763792 /nfs/dbraw/zinc/76/37/92/546763792.db2.gz KCVRQSAFSIAVPG-JTQLQIEISA-N -1 3 306.150 3.432 10 0 DGAEHM CN(C)c1ncccc1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000471797100 546901861 /nfs/dbraw/zinc/90/18/61/546901861.db2.gz HOOVQAHQGYXQFD-UHFFFAOYSA-N -1 3 307.353 3.259 10 0 DGAEHM CCCCCCOCC(=O)Nc1n[n-]c(-c2cccs2)n1 ZINC000730833158 574536938 /nfs/dbraw/zinc/53/69/38/574536938.db2.gz UDESKJIESCWSNM-UHFFFAOYSA-N -1 3 308.407 3.069 10 0 DGAEHM CCCCCCOCC(=O)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000731809632 574559894 /nfs/dbraw/zinc/55/98/94/574559894.db2.gz OESXJALSMTYOBE-UHFFFAOYSA-N -1 3 320.368 3.146 10 0 DGAEHM O=C(NOCc1ccc(F)cc1)c1ccc2c(c1[O-])CCCC2 ZINC000186469122 660446342 /nfs/dbraw/zinc/44/63/42/660446342.db2.gz BMFCRCAMXJEPFW-UHFFFAOYSA-N -1 3 315.344 3.272 10 0 DGAEHM O=C(NC[C@]12C[C@H]1CCC2)c1cc([O-])cc(Br)c1 ZINC000700886586 660643837 /nfs/dbraw/zinc/64/38/37/660643837.db2.gz PLZJIAYRELOWLH-YGRLFVJLSA-N -1 3 310.191 3.075 10 0 DGAEHM Cc1ccc([C@@H](C)N/C=C2\C(=O)[N-]C(=O)c3ccccc32)cc1F ZINC000255893898 655958828 /nfs/dbraw/zinc/95/88/28/655958828.db2.gz SCYYCVQTODVIQY-YUSFRKCESA-N -1 3 324.355 3.096 10 0 DGAEHM C[C@H](NCc1cccc([O-])c1Br)c1ccns1 ZINC000715899644 661215611 /nfs/dbraw/zinc/21/56/11/661215611.db2.gz OIPYGEUEZAIELE-QMMMGPOBSA-N -1 3 313.220 3.462 10 0 DGAEHM O=C([O-])[C@@H]1CN(Cc2ccc3occc3c2)C[C@H]1C(F)(F)F ZINC000263498816 658254437 /nfs/dbraw/zinc/25/44/37/658254437.db2.gz KHHTYBHOZHJPHU-VXGBXAGGSA-N -1 3 313.275 3.128 10 0 DGAEHM Cc1nc(CC(C)C)oc1C(=O)[N-]c1cc([N+](=O)[O-])ccc1F ZINC000188356483 661927047 /nfs/dbraw/zinc/92/70/47/661927047.db2.gz LFZSBOPWNYMLKC-UHFFFAOYSA-N -1 3 321.308 3.481 10 0 DGAEHM CC(=Cc1ccc(C)cc1)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000588399374 1082140434 /nfs/dbraw/zinc/14/04/34/1082140434.db2.gz YUJYNBFRGZHHFH-CLFYSBASSA-N -1 3 310.279 3.174 10 0 DGAEHM CC(=Cc1ccc(C)cc1)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000588399374 1082140442 /nfs/dbraw/zinc/14/04/42/1082140442.db2.gz YUJYNBFRGZHHFH-CLFYSBASSA-N -1 3 310.279 3.174 10 0 DGAEHM O=C([N-]c1cc(F)ccc1F)c1nscc1Br ZINC000404786499 1094269420 /nfs/dbraw/zinc/26/94/20/1094269420.db2.gz FOJHIVLCOSXQAM-UHFFFAOYSA-N -1 3 319.130 3.436 10 0 DGAEHM COc1cc(/C=C\c2noc(-c3ccccc3[O-])n2)ccc1O ZINC000096803800 185388914 /nfs/dbraw/zinc/38/89/14/185388914.db2.gz RAWVTZFTGGXMBI-CLFYSBASSA-N -1 3 310.309 3.327 10 0 DGAEHM [O-]c1nc(NCc2ccccc2)sc1Cc1ccc(F)cc1 ZINC000090558295 185303185 /nfs/dbraw/zinc/30/31/85/185303185.db2.gz IAWDAYHLBQUENH-HNNXBMFYSA-N -1 3 314.385 3.156 10 0 DGAEHM Cc1cc(N(C)CCc2ccncc2)c2cccc(C(=O)[O-])c2n1 ZINC000004226577 181086001 /nfs/dbraw/zinc/08/60/01/181086001.db2.gz BMGOEUIXIGUOFN-UHFFFAOYSA-N -1 3 321.380 3.315 10 0 DGAEHM C[C@H](c1ccc(Br)cc1)N1CCCC[C@@H]1C(=O)[O-] ZINC000006176247 181318007 /nfs/dbraw/zinc/31/80/07/181318007.db2.gz OCNKOILUBKEPCT-ZWNOBZJWSA-N -1 3 312.207 3.449 10 0 DGAEHM Cc1ccc(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)c([O-])c1 ZINC000268596846 432108279 /nfs/dbraw/zinc/10/82/79/432108279.db2.gz TWGXRSHGFJBKQG-KRWDZBQOSA-N -1 3 324.424 3.047 10 0 DGAEHM Cc1ccc(C(=O)Nc2cc(Br)ccc2[O-])c(C)n1 ZINC000085586424 283936323 /nfs/dbraw/zinc/93/63/23/283936323.db2.gz WNFWRVWGXGMYOH-UHFFFAOYSA-N -1 3 321.174 3.419 10 0 DGAEHM Cc1ccc(NCc2nc(C(F)(F)F)cc(=O)[n-]2)cc1Cl ZINC000090371252 283985325 /nfs/dbraw/zinc/98/53/25/283985325.db2.gz WPYMWXSBADRAGE-UHFFFAOYSA-N -1 3 317.698 3.363 10 0 DGAEHM O=C(CCCC1CCCCC1)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000473849536 244352881 /nfs/dbraw/zinc/35/28/81/244352881.db2.gz LBPOMNRCXHUXEY-OAHLLOKOSA-N -1 3 305.422 3.372 10 0 DGAEHM Cn1ccnc1-c1cc(NC(=O)CC2CCCCCC2)n[n-]1 ZINC000119609453 284146707 /nfs/dbraw/zinc/14/67/07/284146707.db2.gz NMZSTKCZHYDDLU-UHFFFAOYSA-N -1 3 301.394 3.109 10 0 DGAEHM Cn1ccnc1-c1cc(NC(=O)CC2CCCCCC2)[n-]n1 ZINC000119609453 284146709 /nfs/dbraw/zinc/14/67/09/284146709.db2.gz NMZSTKCZHYDDLU-UHFFFAOYSA-N -1 3 301.394 3.109 10 0 DGAEHM O=c1[nH]c(-c2ccc([O-])cc2)nc2cc(C(F)(F)F)ccc12 ZINC000119832609 284153271 /nfs/dbraw/zinc/15/32/71/284153271.db2.gz VLEXNWNAKNFHBU-UHFFFAOYSA-N -1 3 306.243 3.315 10 0 DGAEHM Cc1[nH]c2c(C(=O)[O-])cccc2c(=O)c1CN1CCC(C)CC1 ZINC000008713877 181576982 /nfs/dbraw/zinc/57/69/82/181576982.db2.gz YMMYPIBPOREZPG-UHFFFAOYSA-N -1 3 314.385 3.179 10 0 DGAEHM COc1cc(CNc2cccnc2)cc(Br)c1[O-] ZINC000019884133 182161004 /nfs/dbraw/zinc/16/10/04/182161004.db2.gz POBBAMVYCBSJHS-UHFFFAOYSA-N -1 3 309.163 3.170 10 0 DGAEHM c1ccc(N=c2[n-]nc(SCCN3CCCCC3)s2)cc1 ZINC000494297178 246133002 /nfs/dbraw/zinc/13/30/02/246133002.db2.gz BYVQZPMUOJTXID-UHFFFAOYSA-N -1 3 320.487 3.282 10 0 DGAEHM CCc1cc(C)c(C(=O)[N-]c2nnc(-c3ccccn3)s2)o1 ZINC000135122183 284462157 /nfs/dbraw/zinc/46/21/57/284462157.db2.gz FKAPBMNRCZMVEN-UHFFFAOYSA-N -1 3 314.370 3.316 10 0 DGAEHM Cc1ccnc(NC(=O)c2c[n-]c3cc(Cl)ccc3c2=O)c1 ZINC000041056065 183159996 /nfs/dbraw/zinc/15/99/96/183159996.db2.gz UIEDLTRGZDRQFE-UHFFFAOYSA-N -1 3 313.744 3.137 10 0 DGAEHM Cc1ccnc(NC(=O)c2cnc3cc(Cl)ccc3c2[O-])c1 ZINC000041056065 183159998 /nfs/dbraw/zinc/15/99/98/183159998.db2.gz UIEDLTRGZDRQFE-UHFFFAOYSA-N -1 3 313.744 3.137 10 0 DGAEHM Cc1ccc(C(=O)N2C[C@H](c3ccccc3)OC[C@@H]2C)c([O-])c1 ZINC000110315320 194322017 /nfs/dbraw/zinc/32/20/17/194322017.db2.gz NALUFAJLCKXSFX-KBXCAEBGSA-N -1 3 311.381 3.303 10 0 DGAEHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OC)cc2)cc1C ZINC000063850526 184290022 /nfs/dbraw/zinc/29/00/22/184290022.db2.gz GXALPDFQLGNTPD-UHFFFAOYSA-N -1 3 321.398 3.203 10 0 DGAEHM CC(=O)c1cnc([N-]C(=O)c2ncsc2C(F)(F)F)s1 ZINC000338525607 253303434 /nfs/dbraw/zinc/30/34/34/253303434.db2.gz MOEZIAUMFMASKZ-UHFFFAOYSA-N -1 3 321.305 3.073 10 0 DGAEHM O=c1[n-]c(Nc2ccc(C(F)(F)F)cc2)nc2c1CCCC2 ZINC000041598830 285196970 /nfs/dbraw/zinc/19/69/70/285196970.db2.gz MGSLHCUVTKTPGF-UHFFFAOYSA-N -1 3 309.291 3.411 10 0 DGAEHM C[C@@H]1c2cc(F)cc(F)c2CCN1C(=O)c1cccc([O-])c1 ZINC000357406030 285751219 /nfs/dbraw/zinc/75/12/19/285751219.db2.gz DHZWVLQHHBUREJ-SNVBAGLBSA-N -1 3 303.308 3.430 10 0 DGAEHM O=C([O-])c1cccc([C@@H]2CCOCCN2Cc2ccccc2)c1 ZINC000616597302 400181562 /nfs/dbraw/zinc/18/15/62/400181562.db2.gz CPYJYYSKJAQUSM-SFHVURJKSA-N -1 3 311.381 3.348 10 0 DGAEHM O=C([O-])c1cccc([C@@H]2CCN(Cc3ccccc3)CCO2)c1 ZINC000616662930 400197142 /nfs/dbraw/zinc/19/71/42/400197142.db2.gz FEFCOOHWCQIDOA-SFHVURJKSA-N -1 3 311.381 3.348 10 0 DGAEHM Cc1cc(I)c(Br)cc1[O-] ZINC000225961487 400960061 /nfs/dbraw/zinc/96/00/61/400960061.db2.gz DUVYPFPNOZMRAS-UHFFFAOYSA-N -1 3 312.932 3.068 10 0 DGAEHM CC(C)c1cc(C(=O)N2CC[C@@H](C)[C@@H](O)C2)c([O-])c(C(C)C)c1 ZINC000089427008 401222045 /nfs/dbraw/zinc/22/20/45/401222045.db2.gz OBKWVUKYJNGSTL-DYVFJYSZSA-N -1 3 319.445 3.482 10 0 DGAEHM Cc1cccc2c1N(C1CC1)CCN2C(=O)c1cccc([O-])c1 ZINC000358490410 286076362 /nfs/dbraw/zinc/07/63/62/286076362.db2.gz ARNKNMHNSNTEIG-UHFFFAOYSA-N -1 3 308.381 3.330 10 0 DGAEHM CCc1cc(C(=O)N(C)[C@H](C)Cc2ccc(O)cc2)ccc1[O-] ZINC000362921517 286876613 /nfs/dbraw/zinc/87/66/13/286876613.db2.gz FSSCGPFJQOYWCL-CYBMUJFWSA-N -1 3 313.397 3.363 10 0 DGAEHM CCCOc1nc(C)ccc1C(=O)Nc1ccc([O-])cc1F ZINC000190082311 165187599 /nfs/dbraw/zinc/18/75/99/165187599.db2.gz NIUVNLRTPMWRQU-UHFFFAOYSA-N -1 3 304.321 3.276 10 0 DGAEHM O=C(c1cc([O-])ccc1Cl)N1CCC[C@@H]1c1nccs1 ZINC000365652377 287158409 /nfs/dbraw/zinc/15/84/09/287158409.db2.gz VGZPHCQBAMQIEH-GFCCVEGCSA-N -1 3 308.790 3.479 10 0 DGAEHM C[C@H](NC(=O)c1cccc([O-])c1)c1cccc(-n2ccnc2)c1 ZINC000182526992 432200718 /nfs/dbraw/zinc/20/07/18/432200718.db2.gz VLDSBGKAUBABTG-ZDUSSCGKSA-N -1 3 307.353 3.069 10 0 DGAEHM CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1c(C)cccc1[O-] ZINC000183030860 432251249 /nfs/dbraw/zinc/25/12/49/432251249.db2.gz MQJNFNDQJYDEQA-LBPRGKRZSA-N -1 3 322.405 3.333 10 0 DGAEHM CC(C)CCc1nc(CN2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)cs1 ZINC000262237963 277367799 /nfs/dbraw/zinc/36/77/99/277367799.db2.gz XPUPXNYMTHZSJE-SUMWQHHRSA-N -1 3 322.474 3.418 10 0 DGAEHM CC1(C)CO[C@@H](c2ccccc2)CN1C(=O)c1ccccc1[O-] ZINC000171306409 278357023 /nfs/dbraw/zinc/35/70/23/278357023.db2.gz XVIQQNKEBBYDFL-QGZVFWFLSA-N -1 3 311.381 3.385 10 0 DGAEHM C[C@@H](NC(=O)c1ccccc1[O-])c1cccc(-n2ccnc2)c1 ZINC000075263457 431466491 /nfs/dbraw/zinc/46/64/91/431466491.db2.gz PMAIEVCNVBMYDK-CYBMUJFWSA-N -1 3 307.353 3.069 10 0 DGAEHM COc1cc(/C=C/c2ccc(OC)c(O)c2)cc(OC)c1[O-] ZINC000013645667 431564710 /nfs/dbraw/zinc/56/47/10/431564710.db2.gz XZHPYKNNKMKNIB-SNAWJCMRSA-N -1 3 302.326 3.294 10 0 DGAEHM Cc1cc(C(=O)N2CC3(CCOCC3)c3ccccc32)ccc1[O-] ZINC000481425237 280321752 /nfs/dbraw/zinc/32/17/52/280321752.db2.gz QMJWETYNJBGEDS-UHFFFAOYSA-N -1 3 323.392 3.409 10 0 DGAEHM COc1cc(C)cc(C(=O)Nc2ccc3c(C)n[nH]c3c2)c1[O-] ZINC000091826028 431905403 /nfs/dbraw/zinc/90/54/03/431905403.db2.gz SXDCVZHQAYLXFV-UHFFFAOYSA-N -1 3 311.341 3.146 10 0 DGAEHM O=C(c1ccc(O)cc1[O-])N(Cc1ccco1)C1CCCC1 ZINC000193326351 432467046 /nfs/dbraw/zinc/46/70/46/432467046.db2.gz GBKVUXYIMZMRDD-UHFFFAOYSA-N -1 3 301.342 3.276 10 0 DGAEHM CC(C)(C)c1cc(CN2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)no1 ZINC000263580556 432558754 /nfs/dbraw/zinc/55/87/54/432558754.db2.gz WCAQZLXLLVSGFU-XBFCOCLRSA-N -1 3 306.406 3.190 10 0 DGAEHM CC(C)c1csc(NC(=O)c2n[n-]nc2-c2ccccc2)n1 ZINC000194171088 432529842 /nfs/dbraw/zinc/52/98/42/432529842.db2.gz BWVHDBNGMFTAPU-UHFFFAOYSA-N -1 3 313.386 3.304 10 0 DGAEHM Cc1ccc(C(=O)NCc2nc3ccccc3n2C2CC2)c([O-])c1 ZINC000186265464 432576742 /nfs/dbraw/zinc/57/67/42/432576742.db2.gz APTBDGXQFXVLHM-UHFFFAOYSA-N -1 3 321.380 3.315 10 0 DGAEHM O=C(C/C=C/c1ccc(F)cc1)NCc1ccc([O-])c(F)c1 ZINC000177169844 432593645 /nfs/dbraw/zinc/59/36/45/432593645.db2.gz QNNBHXAGJPEJCT-OWOJBTEDSA-N -1 3 303.308 3.390 10 0 DGAEHM O=C(c1cc(F)cc2[n-]nnc21)N1CCC[C@]2(CC=CCC2)C1 ZINC000333019943 433029457 /nfs/dbraw/zinc/02/94/57/433029457.db2.gz ILCJSAQVNSGIBN-QGZVFWFLSA-N -1 3 314.364 3.060 10 0 DGAEHM O=C(c1cc(F)cc2nn[n-]c21)N1CCC[C@]2(CC=CCC2)C1 ZINC000333019943 433029462 /nfs/dbraw/zinc/02/94/62/433029462.db2.gz ILCJSAQVNSGIBN-QGZVFWFLSA-N -1 3 314.364 3.060 10 0 DGAEHM O=C(c1cc(F)cc2n[n-]nc21)N1CCC[C@]2(CC=CCC2)C1 ZINC000333019943 433029467 /nfs/dbraw/zinc/02/94/67/433029467.db2.gz ILCJSAQVNSGIBN-QGZVFWFLSA-N -1 3 314.364 3.060 10 0 DGAEHM CCNC(=O)Nc1cccc(NC(=O)c2cccc([O-])c2)c1C ZINC000447655212 433254961 /nfs/dbraw/zinc/25/49/61/433254961.db2.gz YSLNPZGPCTYGFZ-UHFFFAOYSA-N -1 3 313.357 3.094 10 0 DGAEHM O=C(c1cc([O-])c2ccccc2c1)N1CCC(c2cn[nH]c2)CC1 ZINC000366228821 292926433 /nfs/dbraw/zinc/92/64/33/292926433.db2.gz HJOOEIBVDQFSLL-UHFFFAOYSA-N -1 3 321.380 3.288 10 0 DGAEHM Cc1c(NC(=O)c2cccc([O-])c2)cnn1-c1ccccc1F ZINC000370358718 293169523 /nfs/dbraw/zinc/16/95/23/293169523.db2.gz ITNAZRZRDOFOLL-UHFFFAOYSA-N -1 3 311.316 3.278 10 0 DGAEHM O=C(Cc1ccc([O-])c(F)c1)N1CCCC[C@@H]1c1ccco1 ZINC000449878373 433849821 /nfs/dbraw/zinc/84/98/21/433849821.db2.gz AORMPNPKZXFZMD-CQSZACIVSA-N -1 3 303.333 3.421 10 0 DGAEHM CCCCO[C@@H]1C[C@@H](N(C)C(=O)c2cccc([O-])c2)C1(C)C ZINC000357314461 433947582 /nfs/dbraw/zinc/94/75/82/433947582.db2.gz SQYHVGBCMJAGSV-HZPDHXFCSA-N -1 3 305.418 3.448 10 0 DGAEHM COC(=O)c1ccc(NC(=O)c2cccc([O-])c2)cc1Cl ZINC000357283389 433939856 /nfs/dbraw/zinc/93/98/56/433939856.db2.gz AXOPREACYVITCR-UHFFFAOYSA-N -1 3 305.717 3.085 10 0 DGAEHM Cc1cccnc1[C@@H](NCc1cc(=O)[n-]c(C2CC2)n1)C(C)C ZINC000459376690 293968609 /nfs/dbraw/zinc/96/86/09/293968609.db2.gz LPGHQNBSRWCXMI-INIZCTEOSA-N -1 3 312.417 3.250 10 0 DGAEHM CCc1ccc(C(=O)N[C@@H](COC)c2ccc(F)cc2)c([O-])c1 ZINC000436834627 434127017 /nfs/dbraw/zinc/12/70/17/434127017.db2.gz PZOXPBULOCHVOJ-INIZCTEOSA-N -1 3 317.360 3.211 10 0 DGAEHM CCc1ccc(C(=O)N2CC[C@H](C(F)(F)F)[C@@H]2C)c([O-])c1 ZINC000436988069 434194503 /nfs/dbraw/zinc/19/45/03/434194503.db2.gz JNZNIBXPMHVJIO-CABZTGNLSA-N -1 3 301.308 3.368 10 0 DGAEHM Cc1ccc(C(=O)N2CC[C@@H](C(F)(F)F)[C@@H]2C)c([O-])c1C ZINC000436992865 434199008 /nfs/dbraw/zinc/19/90/08/434199008.db2.gz XEMPPMWXPSTOCV-CMPLNLGQSA-N -1 3 301.308 3.422 10 0 DGAEHM COC[C@H](C)Nc1ccccc1NC(=O)c1cccc([O-])c1 ZINC000437586377 434295041 /nfs/dbraw/zinc/29/50/41/434295041.db2.gz CWNPVNBZROOKMH-LBPRGKRZSA-N -1 3 300.358 3.091 10 0 DGAEHM CC(=O)c1cccc(NC(=O)CCCC[C@H](C)C(C)=O)c1[O-] ZINC000516883306 294637490 /nfs/dbraw/zinc/63/74/90/294637490.db2.gz WDISLRVGCDGYIW-NSHDSACASA-N -1 3 305.374 3.319 10 0 DGAEHM C[C@H](NCc1cc(Cl)ccc1Br)[C@H](C)C(=O)[O-] ZINC000417607289 434460756 /nfs/dbraw/zinc/46/07/56/434460756.db2.gz GVVFBRIPRZEXBQ-YUMQZZPRSA-N -1 3 320.614 3.301 10 0 DGAEHM CCCC[C@@H](NC(=O)c1cc([O-])c2ccccc2c1)C(=O)OC ZINC000527173280 295081715 /nfs/dbraw/zinc/08/17/15/295081715.db2.gz ZYKPESWXTJJUKV-OAHLLOKOSA-N -1 3 315.369 3.007 10 0 DGAEHM CCOc1cc(CN2CC(C)(CCOC)C2)cc(Cl)c1[O-] ZINC000459626660 434636819 /nfs/dbraw/zinc/63/68/19/434636819.db2.gz AAIYGIXFSFDOOJ-UHFFFAOYSA-N -1 3 313.825 3.303 10 0 DGAEHM COc1cc2c(cc1Cl)CN(C(=O)c1cccc([O-])c1)CC2 ZINC000361072237 434785861 /nfs/dbraw/zinc/78/58/61/434785861.db2.gz GCFQCSBLUCKMSP-UHFFFAOYSA-N -1 3 317.772 3.253 10 0 DGAEHM [O-]c1ccccc1-c1nc(-c2ccc(OC(F)F)cn2)no1 ZINC000445523526 434809380 /nfs/dbraw/zinc/80/93/80/434809380.db2.gz HNAOXBSQTYUFRK-UHFFFAOYSA-N -1 3 305.240 3.106 10 0 DGAEHM CC(=O)c1ccc(C(=O)N[C@@H]2c3ccccc3C[C@@H]2C)cc1[O-] ZINC000412105229 434865541 /nfs/dbraw/zinc/86/55/41/434865541.db2.gz CNMAYAJLUCDLCQ-VOJFVSQTSA-N -1 3 309.365 3.258 10 0 DGAEHM CCCN(Cc1nc(C(=O)[O-])co1)[C@@H]1CCc2ccccc2C1 ZINC000574577763 434988855 /nfs/dbraw/zinc/98/88/55/434988855.db2.gz FWHFHKCLIFQDCU-OAHLLOKOSA-N -1 3 314.385 3.142 10 0 DGAEHM [O-]c1cc(OC(F)F)c(Br)c(OC(F)F)c1 ZINC000575676088 435042907 /nfs/dbraw/zinc/04/29/07/435042907.db2.gz MRPYVJMEBIWMLJ-UHFFFAOYSA-N -1 3 305.021 3.358 10 0 DGAEHM Cc1ccc([O-])c(I)c1Br ZINC000575692736 435045446 /nfs/dbraw/zinc/04/54/46/435045446.db2.gz GOHWUTANKKPIBC-UHFFFAOYSA-N -1 3 312.932 3.068 10 0 DGAEHM Cc1c([O-])ccc(Br)c1I ZINC000575693456 435045581 /nfs/dbraw/zinc/04/55/81/435045581.db2.gz VWZBYZPDUUBKRD-UHFFFAOYSA-N -1 3 312.932 3.068 10 0 DGAEHM C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)NCc1ccc([O-])c(F)c1 ZINC000471894078 435138130 /nfs/dbraw/zinc/13/81/30/435138130.db2.gz WPMUUOGIVITRLE-PSASIEDQSA-N -1 3 320.286 3.014 10 0 DGAEHM Cc1ccc([C@H](C)C[N-]S(=O)(=O)c2cncc(Cl)c2)cc1 ZINC000533176781 435215039 /nfs/dbraw/zinc/21/50/39/435215039.db2.gz YLPSHRXTSWJLLU-GFCCVEGCSA-N -1 3 324.833 3.125 10 0 DGAEHM C[C@@H]1CC[C@H](C)CN1C(=O)c1cc([O-])cc(Br)c1 ZINC000528709484 313063770 /nfs/dbraw/zinc/06/37/70/313063770.db2.gz XLRXKCVSXVAKJY-VHSXEESVSA-N -1 3 312.207 3.415 10 0 DGAEHM CCc1[n-][nH]c(=NC(=O)c2ccccc2COC(C)(C)C)c1C ZINC000538112394 313847215 /nfs/dbraw/zinc/84/72/15/313847215.db2.gz MGKFAAPWLPUCEE-UHFFFAOYSA-N -1 3 315.417 3.270 10 0 DGAEHM CC(=O)c1ccc(C(=O)NC[C@@H]2C[C@H]2c2ccccc2)cc1[O-] ZINC000412366200 527255332 /nfs/dbraw/zinc/25/53/32/527255332.db2.gz QPEXDJGCJKTCGZ-RDJZCZTQSA-N -1 3 309.365 3.128 10 0 DGAEHM CC1(C)CN(C(=O)c2ccc(O)cc2[O-])CC[C@H]1C(F)(F)F ZINC000190734785 529104943 /nfs/dbraw/zinc/10/49/43/529104943.db2.gz JSLBGIZQJHFTLG-GFCCVEGCSA-N -1 3 317.307 3.148 10 0 DGAEHM C[C@H](NCc1cscn1)c1ccc(Br)cc1[O-] ZINC000185246694 660211539 /nfs/dbraw/zinc/21/15/39/660211539.db2.gz VEVJWNJUPGSPKU-QMMMGPOBSA-N -1 3 313.220 3.462 10 0 DGAEHM C[C@@H]1C[C@H](C(=O)[O-])CN(Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000263113203 658140329 /nfs/dbraw/zinc/14/03/29/658140329.db2.gz BVZLYLFBJLCMJT-YPMHNXCESA-N -1 3 318.348 3.023 10 0 DGAEHM C[C@@H](c1ccc(Br)cc1)N1CC[C@H]2[C@@H](C1)[C@H]2C(=O)[O-] ZINC000721214142 658685679 /nfs/dbraw/zinc/68/56/79/658685679.db2.gz XZJCAPSJYSXHNQ-WTDIUWLJSA-N -1 3 324.218 3.163 10 0 DGAEHM CC(C=C1SC(=S)NC1=O)=C1SC(=S)[N-]C1=O ZINC000056635582 658976322 /nfs/dbraw/zinc/97/63/22/658976322.db2.gz HEPBZCBUVKBSJE-HZDAAVBUSA-N -1 3 302.427 3.121 10 0 DGAEHM C#Cc1cccc(N(C)C(=O)c2ccc3c(c2[O-])OC(C)(C)C3)c1 ZINC000094106403 662363265 /nfs/dbraw/zinc/36/32/65/662363265.db2.gz NNAVSCOTNGZREJ-UHFFFAOYSA-N -1 3 321.376 3.364 10 0 DGAEHM C[S@@](=O)(=NC(=O)c1cc([O-])ccc1Cl)c1ccccc1 ZINC000395922874 1176790828 /nfs/dbraw/zinc/79/08/28/1176790828.db2.gz DOTDGENAIUZJTE-FQEVSTJZSA-N -1 3 309.774 3.343 10 0 DGAEHM O=S(=O)([N-]CC1=CCCCC1)c1cnc(Cl)c(Cl)c1 ZINC000379756600 1176819466 /nfs/dbraw/zinc/81/94/66/1176819466.db2.gz WHQVYIWXXNENGM-UHFFFAOYSA-N -1 3 321.229 3.167 10 0 DGAEHM C[C@H]1CCC[C@H]1C[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000230670580 1202598544 /nfs/dbraw/zinc/59/85/44/1202598544.db2.gz MJOSIBDUHZGXQT-IUCAKERBSA-N -1 3 323.245 3.103 10 0 DGAEHM COc1ccc(C(C)=CC(=O)Nc2n[n-]c(-c3ccco3)n2)cc1 ZINC000255587673 1203850147 /nfs/dbraw/zinc/85/01/47/1203850147.db2.gz BKAAQMCUBASYHT-KHPPLWFESA-N -1 3 324.340 3.115 10 0 DGAEHM CC(=Cc1ccc(F)cc1)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000176125141 1203925224 /nfs/dbraw/zinc/92/52/24/1203925224.db2.gz RMQSVDMUAKNIEA-VOTSOKGWSA-N -1 3 314.242 3.005 10 0 DGAEHM CC(=Cc1ccc(F)cc1)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000176125141 1203925226 /nfs/dbraw/zinc/92/52/26/1203925226.db2.gz RMQSVDMUAKNIEA-VOTSOKGWSA-N -1 3 314.242 3.005 10 0 DGAEHM O=C([O-])CN(Cc1ccccc1)Cc1ccccc1OC(F)F ZINC000692437745 976476547 /nfs/dbraw/zinc/47/65/47/976476547.db2.gz WPNZBCNAZMSAAT-UHFFFAOYSA-N -1 3 321.323 3.375 10 0 DGAEHM O=c1[n-]c(CSc2nncs2)nc2c3ccccc3oc21 ZINC000078988688 185141610 /nfs/dbraw/zinc/14/16/10/185141610.db2.gz RMSNUZQOMZHFIT-UHFFFAOYSA-N -1 3 316.367 3.225 10 0 DGAEHM Cc1ccc(C(=O)N2CCC[C@H](c3nccs3)C2)c([O-])c1 ZINC000104117481 432014291 /nfs/dbraw/zinc/01/42/91/432014291.db2.gz GZLQWLUGMFLISN-LBPRGKRZSA-N -1 3 302.399 3.177 10 0 DGAEHM COc1ccc([O-])c(C(=O)N2CCCC[C@H]2c2nccs2)c1 ZINC000173381111 198208220 /nfs/dbraw/zinc/20/82/20/198208220.db2.gz CRLVOPFKCOZTCI-ZDUSSCGKSA-N -1 3 318.398 3.225 10 0 DGAEHM O=C([O-])c1ccc2nc3c(c(NCc4cccnc4)c2c1)CCC3 ZINC000004226641 181086061 /nfs/dbraw/zinc/08/60/61/181086061.db2.gz UWYABSZLQOJWHJ-UHFFFAOYSA-N -1 3 319.364 3.429 10 0 DGAEHM O=C(c1cc2ccccc2cc1[O-])N1CCC[C@@H]1Cn1ccnc1 ZINC000179746520 199074902 /nfs/dbraw/zinc/07/49/02/199074902.db2.gz GLPDPCKGTXDVQQ-MRXNPFEDSA-N -1 3 321.380 3.047 10 0 DGAEHM Cc1ccc(-c2cc(C(=O)Nc3nccn3CC(C)C)n[n-]2)o1 ZINC000171010381 432095181 /nfs/dbraw/zinc/09/51/81/432095181.db2.gz JUSBUPIAVGTQTK-UHFFFAOYSA-N -1 3 313.361 3.083 10 0 DGAEHM Cc1ccc(-c2cc(C(=O)Nc3nccn3CC(C)C)[n-]n2)o1 ZINC000171010381 432095186 /nfs/dbraw/zinc/09/51/86/432095186.db2.gz JUSBUPIAVGTQTK-UHFFFAOYSA-N -1 3 313.361 3.083 10 0 DGAEHM Cc1ccc(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)c([O-])c1 ZINC000268596848 432107735 /nfs/dbraw/zinc/10/77/35/432107735.db2.gz TWGXRSHGFJBKQG-QGZVFWFLSA-N -1 3 324.424 3.047 10 0 DGAEHM COc1cc(C)cc(C(=O)Nc2ccc3oc(C)nc3c2)c1[O-] ZINC000106455878 284046737 /nfs/dbraw/zinc/04/67/37/284046737.db2.gz YYOMAZCKXBQFCR-UHFFFAOYSA-N -1 3 312.325 3.411 10 0 DGAEHM Cc1[nH]nc2cc([N-]S(=O)(=O)c3ccc(F)c(C)c3)ccc12 ZINC000093909447 193327032 /nfs/dbraw/zinc/32/70/32/193327032.db2.gz RJYSBUCJSZSGSY-UHFFFAOYSA-N -1 3 319.361 3.120 10 0 DGAEHM CCc1ccccc1S(=O)(=O)[N-]c1ccc2c(c1)CCCO2 ZINC000488238926 245166105 /nfs/dbraw/zinc/16/61/05/245166105.db2.gz WDZSTJMLWGEAPH-UHFFFAOYSA-N -1 3 317.410 3.375 10 0 DGAEHM Cc1cc(C(=O)Nc2nnc(-c3ccco3)[n-]2)c(Cl)cc1F ZINC000126983490 284323356 /nfs/dbraw/zinc/32/33/56/284323356.db2.gz XHROMZYYMXDMSV-UHFFFAOYSA-N -1 3 320.711 3.418 10 0 DGAEHM Cc1cc(C(=O)Nc2nc(-c3ccco3)n[n-]2)c(Cl)cc1F ZINC000126983490 284323358 /nfs/dbraw/zinc/32/33/58/284323358.db2.gz XHROMZYYMXDMSV-UHFFFAOYSA-N -1 3 320.711 3.418 10 0 DGAEHM Cc1cc(C(=O)Nc2n[n-]c(-c3ccco3)n2)c(Cl)cc1F ZINC000126983490 284323360 /nfs/dbraw/zinc/32/33/60/284323360.db2.gz XHROMZYYMXDMSV-UHFFFAOYSA-N -1 3 320.711 3.418 10 0 DGAEHM CC[C@H](c1ccncc1)N(C)C(=O)c1cccc(OC)c1[O-] ZINC000128416148 284374689 /nfs/dbraw/zinc/37/46/89/284374689.db2.gz AWHQKRKMURLOKK-CQSZACIVSA-N -1 3 300.358 3.019 10 0 DGAEHM COc1cccc(C(=O)N(C)[C@H](C)Cc2ccc(C)cc2)c1[O-] ZINC000129011132 284394873 /nfs/dbraw/zinc/39/48/73/284394873.db2.gz QMPRHTGBYWNPSU-CQSZACIVSA-N -1 3 313.397 3.412 10 0 DGAEHM CC(C)c1ccc(Oc2nc3ccccc3n3c(=O)[n-]nc23)cc1 ZINC000021730165 182287301 /nfs/dbraw/zinc/28/73/01/182287301.db2.gz KQSWPORPFAFSEY-UHFFFAOYSA-N -1 3 320.352 3.487 10 0 DGAEHM Nc1c([N-]c2nccs2)ncnc1Nc1cc(F)ccc1F ZINC000040780948 183133321 /nfs/dbraw/zinc/13/33/21/183133321.db2.gz RUWJRSRKXHLXBN-UHFFFAOYSA-N -1 3 320.328 3.281 10 0 DGAEHM O=c1[n-]c(Nc2ccccc2C(F)(F)F)nc2c1CCCC2 ZINC000057343096 184034246 /nfs/dbraw/zinc/03/42/46/184034246.db2.gz JJPNQGNJGBLQNR-UHFFFAOYSA-N -1 3 309.291 3.411 10 0 DGAEHM O=c1[n-]c(NCc2ccccc2C(F)(F)F)nc2c1CCCC2 ZINC000057343161 184034452 /nfs/dbraw/zinc/03/44/52/184034452.db2.gz VGSIWWMXSISFRC-UHFFFAOYSA-N -1 3 323.318 3.280 10 0 DGAEHM O=S(=O)([N-]c1ccccc1F)c1cccc2ncccc21 ZINC000120003965 195077655 /nfs/dbraw/zinc/07/76/55/195077655.db2.gz FONPDMZHVNDDOO-UHFFFAOYSA-N -1 3 302.330 3.175 10 0 DGAEHM CSCC[C@H](C)N(C)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000182759215 533638397 /nfs/dbraw/zinc/63/83/97/533638397.db2.gz VABLGFZZOOSLHM-LBPRGKRZSA-N -1 3 307.459 3.485 10 0 DGAEHM O=C([O-])c1ccccc1[C@@H]1CCOCCN1Cc1ccccc1 ZINC000616599381 400181262 /nfs/dbraw/zinc/18/12/62/400181262.db2.gz YQBGEMKGKMECCA-SFHVURJKSA-N -1 3 311.381 3.348 10 0 DGAEHM CCOC(=O)c1[n-]nc2c1c(Br)ccc2Cl ZINC000585672641 400132077 /nfs/dbraw/zinc/13/20/77/400132077.db2.gz GCUXVIWHTPIUFH-UHFFFAOYSA-N -1 3 303.543 3.156 10 0 DGAEHM CCOC(=O)c1n[n-]c2c1c(Br)ccc2Cl ZINC000585672641 400132082 /nfs/dbraw/zinc/13/20/82/400132082.db2.gz GCUXVIWHTPIUFH-UHFFFAOYSA-N -1 3 303.543 3.156 10 0 DGAEHM COc1ccc(O[C@H](C)C(=O)Nc2ccc(C)cc2[O-])cc1 ZINC000010891051 400138020 /nfs/dbraw/zinc/13/80/20/400138020.db2.gz SLVHOAWAHPCTST-GFCCVEGCSA-N -1 3 301.342 3.115 10 0 DGAEHM O=C(c1ccc(O)cc1[O-])N1CC[C@H](c2cccc(Cl)c2)C1 ZINC000034775362 400386937 /nfs/dbraw/zinc/38/69/37/400386937.db2.gz LBOIODMPDVHWQO-LBPRGKRZSA-N -1 3 317.772 3.381 10 0 DGAEHM C[C@@H](NC(=O)NCc1ccc([O-])c(F)c1)c1ccc(F)c(F)c1 ZINC000154944333 400698418 /nfs/dbraw/zinc/69/84/18/400698418.db2.gz XDUSIJCUABTFJF-SECBINFHSA-N -1 3 324.302 3.370 10 0 DGAEHM COc1ccc(S(=O)(=O)[N-]c2cccc([C@@H](C)OC)c2)cc1 ZINC000171013751 400781406 /nfs/dbraw/zinc/78/14/06/400781406.db2.gz SJGGCSWGCSDVCU-GFCCVEGCSA-N -1 3 321.398 3.203 10 0 DGAEHM CO[C@H](C)c1cccc(N[C@@H](C)C(=O)[N-]c2cc(C)no2)c1 ZINC000171089339 400785241 /nfs/dbraw/zinc/78/52/41/400785241.db2.gz DRMRPNIHFPCSAB-NWDGAFQWSA-N -1 3 303.362 3.130 10 0 DGAEHM CC(=O)c1ccc(C(=O)N(C)C[C@H]2CCc3ccccc32)cc1[O-] ZINC000620689600 400947227 /nfs/dbraw/zinc/94/72/27/400947227.db2.gz FJHYVVAOVKAWCE-MRXNPFEDSA-N -1 3 323.392 3.397 10 0 DGAEHM O=C(NC[C@@H]1CC[C@@H]2C[C@@H]2C1)c1cc([O-])cc(Br)c1 ZINC000628288213 401568076 /nfs/dbraw/zinc/56/80/76/401568076.db2.gz DTQAIVFWFCZAGF-MXWKQRLJSA-N -1 3 324.218 3.321 10 0 DGAEHM C[C@H](C(=O)[O-])N(Cc1cc(Br)ccc1F)C1CC1 ZINC000262226087 289388205 /nfs/dbraw/zinc/38/82/05/289388205.db2.gz LIUJIMOGYUYZQT-MRVPVSSYSA-N -1 3 316.170 3.026 10 0 DGAEHM O=C([N-]c1cc2c(=O)[nH]cnc2cc1F)c1sccc1Cl ZINC000361136843 286606515 /nfs/dbraw/zinc/60/65/15/286606515.db2.gz SQYKUZNJNYQFAE-UHFFFAOYSA-N -1 3 323.736 3.442 10 0 DGAEHM O=C(NC1(C2CC2)CCOCC1)c1cc([O-])c2ccccc2c1 ZINC000365559198 287146181 /nfs/dbraw/zinc/14/61/81/287146181.db2.gz HMQWBEJFFJOCIX-UHFFFAOYSA-N -1 3 311.381 3.234 10 0 DGAEHM Cc1nccn1-c1ccc([C@H](C)NC(=O)c2cccc([O-])c2)cc1 ZINC000182568751 432204932 /nfs/dbraw/zinc/20/49/32/432204932.db2.gz NDMBJZXMYOGRKI-ZDUSSCGKSA-N -1 3 321.380 3.377 10 0 DGAEHM C[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1[O-])C1CCOCC1 ZINC000130892498 292642981 /nfs/dbraw/zinc/64/29/81/292642981.db2.gz WGXJVOOTSBWPQF-VIFPVBQESA-N -1 3 317.307 3.412 10 0 DGAEHM O=C(N[C@@H](Cc1ccccc1)C(F)(F)F)c1cccc([O-])c1 ZINC000182822539 432232970 /nfs/dbraw/zinc/23/29/70/432232970.db2.gz YSUUZXHYXCJIOB-AWEZNQCLSA-N -1 3 309.287 3.296 10 0 DGAEHM COc1nnc(NC(=O)c2ccccc2SCC=C(C)C)[n-]1 ZINC000182991344 432248851 /nfs/dbraw/zinc/24/88/51/432248851.db2.gz CRIVOLHZHNUDKS-UHFFFAOYSA-N -1 3 318.402 3.124 10 0 DGAEHM COc1nc(NC(=O)c2ccccc2SCC=C(C)C)n[n-]1 ZINC000182991344 432248854 /nfs/dbraw/zinc/24/88/54/432248854.db2.gz CRIVOLHZHNUDKS-UHFFFAOYSA-N -1 3 318.402 3.124 10 0 DGAEHM COc1n[n-]c(NC(=O)c2ccccc2SCC=C(C)C)n1 ZINC000182991344 432248862 /nfs/dbraw/zinc/24/88/62/432248862.db2.gz CRIVOLHZHNUDKS-UHFFFAOYSA-N -1 3 318.402 3.124 10 0 DGAEHM O=S(=O)([N-]C[C@H]1C[C@@H]1c1ccccc1)c1ccc(F)cc1F ZINC000111358140 431215687 /nfs/dbraw/zinc/21/56/87/431215687.db2.gz LQUTVBHZQVQQDQ-TZMCWYRMSA-N -1 3 323.364 3.047 10 0 DGAEHM C[C@H]1CCc2cc(F)ccc2N1c1nc2c(c(=O)[n-]1)CCCC2 ZINC000057343119 279769230 /nfs/dbraw/zinc/76/92/30/279769230.db2.gz IZILKZCSHRAELH-NSHDSACASA-N -1 3 313.376 3.261 10 0 DGAEHM c1ccc(-c2nc(SCc3nc4ccccc4o3)n[n-]2)nc1 ZINC000117114668 431545324 /nfs/dbraw/zinc/54/53/24/431545324.db2.gz OWPJJPVEUJCSEZ-UHFFFAOYSA-N -1 3 309.354 3.300 10 0 DGAEHM C[C@H]1C[C@H](N(C)C(=O)c2cc3ccccc3cc2[O-])CCN1C ZINC000124513795 431896261 /nfs/dbraw/zinc/89/62/61/431896261.db2.gz PPYJBEFAZNPQSC-XJKSGUPXSA-N -1 3 312.413 3.100 10 0 DGAEHM COC(=O)c1coc(C(=O)[N-]c2nc(-c3ccco3)cs2)c1 ZINC000184038858 432346909 /nfs/dbraw/zinc/34/69/09/432346909.db2.gz RJALEENPSZRLRU-UHFFFAOYSA-N -1 3 318.310 3.035 10 0 DGAEHM CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)Nc2ccccc2[O-])C1 ZINC000175085271 432395739 /nfs/dbraw/zinc/39/57/39/432395739.db2.gz GJXRUOVXBMTZOZ-NEPJUHHUSA-N -1 3 320.389 3.024 10 0 DGAEHM C/C=C\c1ccc(OCC(=O)Nc2ccccc2[O-])c(OC)c1 ZINC000255598642 432412407 /nfs/dbraw/zinc/41/24/07/432412407.db2.gz FLUZQPVBUZRCFB-UTCJRWHESA-N -1 3 313.353 3.451 10 0 DGAEHM COc1cccc(C(=O)NCc2ccc(C(F)F)cc2)c1[O-] ZINC000184620799 432412717 /nfs/dbraw/zinc/41/27/17/432412717.db2.gz FUQBEWWDLOQFCH-UHFFFAOYSA-N -1 3 307.296 3.268 10 0 DGAEHM O=C(c1ccccc1[O-])N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000155522065 432559691 /nfs/dbraw/zinc/55/96/91/432559691.db2.gz VOELCSNCBPIDBJ-AWEZNQCLSA-N -1 3 311.337 3.098 10 0 DGAEHM O=c1c(Br)c[n-]c2c(Br)cc(F)cc12 ZINC000156975221 432611797 /nfs/dbraw/zinc/61/17/97/432611797.db2.gz AEUIXYLOSXSUSF-UHFFFAOYSA-N -1 3 320.943 3.192 10 0 DGAEHM C[C@H]1CCCN(Cc2ccccc2Br)[C@@H]1C(=O)[O-] ZINC000235670786 432744204 /nfs/dbraw/zinc/74/42/04/432744204.db2.gz FFCBXNUTYBPNJT-GWCFXTLKSA-N -1 3 312.207 3.134 10 0 DGAEHM CC(C)(C)OC(=O)CSCc1noc(-c2ccccc2[O-])n1 ZINC000373232508 433137689 /nfs/dbraw/zinc/13/76/89/433137689.db2.gz VOPWYBRAQNUZLM-UHFFFAOYSA-N -1 3 322.386 3.017 10 0 DGAEHM O=C(c1cc([O-])c2ccccc2c1)N1CC[C@H]([C@H]2CCOC2)C1 ZINC000376239287 293630875 /nfs/dbraw/zinc/63/08/75/293630875.db2.gz KIQHHJHVFMXCPP-GJZGRUSLSA-N -1 3 311.381 3.044 10 0 DGAEHM O=C(NCc1csc(Br)c1)c1cccc([O-])c1 ZINC000357260235 433931551 /nfs/dbraw/zinc/93/15/51/433931551.db2.gz PXPZAEVUCDROEM-UHFFFAOYSA-N -1 3 312.188 3.146 10 0 DGAEHM c1ccc(N=c2[n-]nc(SCCCN3CCCC3)s2)cc1 ZINC000436142353 433891044 /nfs/dbraw/zinc/89/10/44/433891044.db2.gz ZQNPTCVPHOHNHQ-UHFFFAOYSA-N -1 3 320.487 3.282 10 0 DGAEHM O=C(N[C@H]1C[C@@H]1c1c(F)cccc1Cl)c1cccc([O-])c1 ZINC000357313423 433946132 /nfs/dbraw/zinc/94/61/32/433946132.db2.gz PLWPJAMPMBQTHU-FZMZJTMJSA-N -1 3 305.736 3.471 10 0 DGAEHM CCCCO[C@H]1C[C@@H](N(C)C(=O)c2cccc([O-])c2)C1(C)C ZINC000357314459 433947117 /nfs/dbraw/zinc/94/71/17/433947117.db2.gz SQYHVGBCMJAGSV-CVEARBPZSA-N -1 3 305.418 3.448 10 0 DGAEHM Cc1nc2ccccc2n1CCc1nc(-c2ccc([O-])cc2)no1 ZINC000436873202 434147489 /nfs/dbraw/zinc/14/74/89/434147489.db2.gz VLQYFWAWPIQWHY-UHFFFAOYSA-N -1 3 320.352 3.343 10 0 DGAEHM CC(=O)c1ccc2c(c1)CCN(C(=O)c1ccc([O-])c(C)c1)CC2 ZINC000436939793 434177464 /nfs/dbraw/zinc/17/74/64/434177464.db2.gz RBFYTZMVOUNYGA-UHFFFAOYSA-N -1 3 323.392 3.144 10 0 DGAEHM Cc1ccc(C(=O)N2CC[C@H](C(F)(F)F)[C@H]2C)c([O-])c1C ZINC000436992867 434196677 /nfs/dbraw/zinc/19/66/77/434196677.db2.gz XEMPPMWXPSTOCV-PWSUYJOCSA-N -1 3 301.308 3.422 10 0 DGAEHM C[C@@H]1CCN(C(=O)C[C@H]2CCCCNC2=O)c2c([O-])cccc21 ZINC000329810537 434484664 /nfs/dbraw/zinc/48/46/64/434484664.db2.gz BOTUOEWVOSAZEW-CHWSQXEVSA-N -1 3 316.401 3.379 10 0 DGAEHM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NCc1cccc([O-])c1Br ZINC000527805642 295133714 /nfs/dbraw/zinc/13/37/14/295133714.db2.gz VEPXXGQFBKXJNP-QOBXEIRBSA-N -1 3 314.223 3.056 10 0 DGAEHM Cc1cc(Br)c(I)cc1[O-] ZINC000575693451 435045658 /nfs/dbraw/zinc/04/56/58/435045658.db2.gz VPUIQRKKZGMUHV-UHFFFAOYSA-N -1 3 312.932 3.068 10 0 DGAEHM CCC(CC)(NC(=O)c1cc([O-])c2ccccc2c1)C(=O)OC ZINC000558722729 435108762 /nfs/dbraw/zinc/10/87/62/435108762.db2.gz QINCTZZINLDCOI-UHFFFAOYSA-N -1 3 315.369 3.007 10 0 DGAEHM O=C([O-])[C@@H]1CN(C/C=C\c2ccc(F)cc2)C[C@H]1C(F)(F)F ZINC000517017485 435570290 /nfs/dbraw/zinc/57/02/90/435570290.db2.gz JXQRTPWTMFYSJA-IKGCNYHESA-N -1 3 317.282 3.034 10 0 DGAEHM CCc1cccc(C(=O)N[C@H](COC)c2ccc(F)cc2)c1[O-] ZINC000539872500 435575650 /nfs/dbraw/zinc/57/56/50/435575650.db2.gz BGBURWXJGALKHP-MRXNPFEDSA-N -1 3 317.360 3.211 10 0 DGAEHM CN(C)C1(CN=c2[n-]c(-c3cccc(Cl)c3)no2)CCCC1 ZINC000518298292 435631937 /nfs/dbraw/zinc/63/19/37/435631937.db2.gz BIMGYZJENPZOKH-UHFFFAOYSA-N -1 3 320.824 3.098 10 0 DGAEHM CCc1cccc(C(=O)N2CCCC[C@H]2c2ccnn2C)c1[O-] ZINC000545991788 314282829 /nfs/dbraw/zinc/28/28/29/314282829.db2.gz BVFWVTHVXLJUFA-INIZCTEOSA-N -1 3 313.401 3.056 10 0 DGAEHM C[C@@H](NCc1cccc([O-])c1Br)c1cscn1 ZINC000563444456 315116601 /nfs/dbraw/zinc/11/66/01/315116601.db2.gz NLXZNQUPHQCGMW-MRVPVSSYSA-N -1 3 313.220 3.462 10 0 DGAEHM O=C(NCc1ncccc1[O-])c1cc2c(s1)CCCCC2 ZINC000572782974 315817412 /nfs/dbraw/zinc/81/74/12/315817412.db2.gz BRYPBWUGWZNSEE-UHFFFAOYSA-N -1 3 302.399 3.048 10 0 DGAEHM C[C@H]1CCN(C(=O)c2cccc3[n-]nnc32)[C@H]1c1cccc(F)c1 ZINC000180111195 323221405 /nfs/dbraw/zinc/22/14/05/323221405.db2.gz ZKAFJOSIPYLTNP-APPDUMDISA-N -1 3 324.359 3.320 10 0 DGAEHM C[C@H]1CCN(C(=O)c2cccc3nn[n-]c32)[C@H]1c1cccc(F)c1 ZINC000180111195 323221407 /nfs/dbraw/zinc/22/14/07/323221407.db2.gz ZKAFJOSIPYLTNP-APPDUMDISA-N -1 3 324.359 3.320 10 0 DGAEHM C[C@H]1CCN(C(=O)c2cccc3n[n-]nc32)[C@H]1c1cccc(F)c1 ZINC000180111195 323221408 /nfs/dbraw/zinc/22/14/08/323221408.db2.gz ZKAFJOSIPYLTNP-APPDUMDISA-N -1 3 324.359 3.320 10 0 DGAEHM O=C(NCc1ccc(Cl)cc1Cl)c1cccc2nn[n-]c21 ZINC000182666778 323308418 /nfs/dbraw/zinc/30/84/18/323308418.db2.gz RMQMRCRZUZCTFN-UHFFFAOYSA-N -1 3 321.167 3.195 10 0 DGAEHM O=C(NCc1ccc(Cl)cc1Cl)c1cccc2[n-]nnc21 ZINC000182666778 323308420 /nfs/dbraw/zinc/30/84/20/323308420.db2.gz RMQMRCRZUZCTFN-UHFFFAOYSA-N -1 3 321.167 3.195 10 0 DGAEHM O=C(NCc1ccc(Cl)cc1Cl)c1cccc2n[n-]nc21 ZINC000182666778 323308424 /nfs/dbraw/zinc/30/84/24/323308424.db2.gz RMQMRCRZUZCTFN-UHFFFAOYSA-N -1 3 321.167 3.195 10 0 DGAEHM CC(=O)c1cccc(NC(=O)c2ccc3nc(C)oc3c2)c1[O-] ZINC000581623389 324138103 /nfs/dbraw/zinc/13/81/03/324138103.db2.gz IDKKWBMHVMJNDP-UHFFFAOYSA-N -1 3 310.309 3.297 10 0 DGAEHM CCc1cc(N2CCC[C@@H]2c2nc(C(=O)[O-])cs2)ccn1 ZINC000582549233 324244261 /nfs/dbraw/zinc/24/42/61/324244261.db2.gz QPMIKEFAVCSFDR-CYBMUJFWSA-N -1 3 303.387 3.140 10 0 DGAEHM COc1ccc([O-])c(C(=O)Nc2cccc([C@H](C)OC)c2)c1 ZINC000170729207 534198439 /nfs/dbraw/zinc/19/84/39/534198439.db2.gz QGXDTRBNDCZSKU-NSHDSACASA-N -1 3 301.342 3.361 10 0 DGAEHM COc1ccc([O-])c(C(=O)Nc2cccc([C@@H](C)OC)c2)c1 ZINC000170729212 534198740 /nfs/dbraw/zinc/19/87/40/534198740.db2.gz QGXDTRBNDCZSKU-LLVKDONJSA-N -1 3 301.342 3.361 10 0 DGAEHM Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)c1ccc(C)cc1[O-] ZINC000156197769 527588138 /nfs/dbraw/zinc/58/81/38/527588138.db2.gz UIMSSPZRQWBBSZ-LBPRGKRZSA-N -1 3 315.417 3.452 10 0 DGAEHM CCc1cc(=O)[n-]c(CSCCc2ccc(F)c(F)c2)n1 ZINC000489559889 536154807 /nfs/dbraw/zinc/15/48/07/536154807.db2.gz HSMAPDSUGJGBRH-UHFFFAOYSA-N -1 3 310.369 3.499 10 0 DGAEHM Cc1c(C(=O)Nc2n[n-]c(-c3ccccc3Cl)n2)ccn1C ZINC000195266940 546254223 /nfs/dbraw/zinc/25/42/23/546254223.db2.gz WESQOTMWZMIMSA-UHFFFAOYSA-N -1 3 315.764 3.024 10 0 DGAEHM CC(=O)c1ccc(C(=O)[N-]c2ncc(C(F)(F)F)s2)o1 ZINC000362503938 546722170 /nfs/dbraw/zinc/72/21/70/546722170.db2.gz CBCBHIKYJWBZBI-UHFFFAOYSA-N -1 3 304.249 3.210 10 0 DGAEHM Cc1c([C@@H](C)NC(=O)c2cc([O-])c3ccccc3c2)cnn1C ZINC000471711025 546901697 /nfs/dbraw/zinc/90/16/97/546901697.db2.gz FJWYDLACDRQIEE-LLVKDONJSA-N -1 3 309.369 3.078 10 0 DGAEHM Cc1cc(=O)[n-]c(CN[C@H](C)c2ccc(Br)cc2)n1 ZINC000700462653 660627658 /nfs/dbraw/zinc/62/76/58/660627658.db2.gz MJJPPXCYSVLNEE-SNVBAGLBSA-N -1 3 322.206 3.104 10 0 DGAEHM C[C@@]1(C(F)(F)F)CCN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000709339638 660928129 /nfs/dbraw/zinc/92/81/29/660928129.db2.gz HDQBCPFKBZCSCT-GFCCVEGCSA-N -1 3 307.699 3.460 10 0 DGAEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C=Cc3ccco3)cc2)n1 ZINC000255007559 655557755 /nfs/dbraw/zinc/55/77/55/655557755.db2.gz PRUIRBYVQZZRCB-HJWRWDBZSA-N -1 3 321.336 3.403 10 0 DGAEHM C[C@@H](c1ccccc1Br)N1CC[C@H]2[C@@H](C1)[C@H]2C(=O)[O-] ZINC000721214004 658685749 /nfs/dbraw/zinc/68/57/49/658685749.db2.gz WIWZBVMWOQWNEB-ZKCLLBTKSA-N -1 3 324.218 3.163 10 0 DGAEHM [O-]c1ccc(Cl)c(F)c1CNCc1ccc(CO)c(F)c1 ZINC000190858565 662047472 /nfs/dbraw/zinc/04/74/72/662047472.db2.gz DBGQLMFQYRHXDY-UHFFFAOYSA-N -1 3 313.731 3.106 10 0 DGAEHM CC(C)[C@]1(C)C[C@H]1[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000397197665 1177000979 /nfs/dbraw/zinc/00/09/79/1177000979.db2.gz SYKWWJUFELUSPC-PWSUYJOCSA-N -1 3 323.245 3.101 10 0 DGAEHM Cc1cc(C(=O)[N-]c2nc(C)ns2)sc1Br ZINC000122076894 1200263378 /nfs/dbraw/zinc/26/33/78/1200263378.db2.gz YVYNOXXRIRRPQB-UHFFFAOYSA-N -1 3 318.221 3.231 10 0 DGAEHM C[C@H]1CC[C@H](C[N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)C1 ZINC000230415994 1202597974 /nfs/dbraw/zinc/59/79/74/1202597974.db2.gz FTYBGTVWXDITJG-IUCAKERBSA-N -1 3 323.245 3.103 10 0 DGAEHM CCc1cc2c([n-]c(COc3ccc(OC)cc3)nc2=O)s1 ZINC000063579594 432005582 /nfs/dbraw/zinc/00/55/82/432005582.db2.gz YLWWAEPJUJKPME-UHFFFAOYSA-N -1 3 316.382 3.135 10 0 DGAEHM CN(C)[C@H](Cc1ccccc1)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000106910396 432025106 /nfs/dbraw/zinc/02/51/06/432025106.db2.gz AMBPPZDLRTUCFC-OAHLLOKOSA-N -1 3 318.804 3.157 10 0 DGAEHM CC(C)Oc1ccc(F)cc1NC([O-])=NO[C@H]1CCCCO1 ZINC000155979656 186124801 /nfs/dbraw/zinc/12/48/01/186124801.db2.gz JXMYFZBUOQINID-AWEZNQCLSA-N -1 3 312.341 3.193 10 0 DGAEHM CC(C)Oc1ccc(F)cc1NC(=O)[N-]O[C@H]1CCCCO1 ZINC000155979656 186124802 /nfs/dbraw/zinc/12/48/02/186124802.db2.gz JXMYFZBUOQINID-AWEZNQCLSA-N -1 3 312.341 3.193 10 0 DGAEHM COc1cccc(C(=O)N2CC[C@H](c3ccccc3)[C@@H]2C)c1[O-] ZINC000175699062 186189534 /nfs/dbraw/zinc/18/95/34/186189534.db2.gz RQMJPJOVAFXAQC-ZFWWWQNUSA-N -1 3 311.381 3.419 10 0 DGAEHM Cc1cc(NCCc2ccncc2)c2cccc(C(=O)[O-])c2n1 ZINC000004226586 181086370 /nfs/dbraw/zinc/08/63/70/181086370.db2.gz LRDSUEQHCDJJEY-UHFFFAOYSA-N -1 3 307.353 3.291 10 0 DGAEHM C[C@H]1C[C@H](C(=O)Nc2cc(-c3nccn3C)[n-]n2)CC(C)(C)C1 ZINC000184239463 291108672 /nfs/dbraw/zinc/10/86/72/291108672.db2.gz VVJVACXEDZKGLF-RYUDHWBXSA-N -1 3 315.421 3.211 10 0 DGAEHM C[C@H]1C[C@H](C(=O)Nc2cc(-c3nccn3C)n[n-]2)CC(C)(C)C1 ZINC000184239463 291108675 /nfs/dbraw/zinc/10/86/75/291108675.db2.gz VVJVACXEDZKGLF-RYUDHWBXSA-N -1 3 315.421 3.211 10 0 DGAEHM CO[C@H](C)c1nc(C)c(C(=O)Nc2c(C)cccc2[O-])s1 ZINC000179553340 432062047 /nfs/dbraw/zinc/06/20/47/432062047.db2.gz UESPIJCODXMOIU-SNVBAGLBSA-N -1 3 306.387 3.425 10 0 DGAEHM Cc1cc(C(=O)Nc2c(C)cccc2[O-])nn1-c1ccccc1 ZINC000179565330 432063358 /nfs/dbraw/zinc/06/33/58/432063358.db2.gz LWVGSBCGENQPJU-UHFFFAOYSA-N -1 3 307.353 3.447 10 0 DGAEHM COc1ccc([O-])c(C(=O)N2CCC[C@H]2c2csc(C)n2)c1 ZINC000187037161 200050486 /nfs/dbraw/zinc/05/04/86/200050486.db2.gz SPTPSGFCNCVOJC-AWEZNQCLSA-N -1 3 318.398 3.143 10 0 DGAEHM CO[C@@H]1CC[C@H](NC(=O)CCc2ccc3ccccc3c2[O-])C1 ZINC000451109768 241009049 /nfs/dbraw/zinc/00/90/49/241009049.db2.gz OPNVZKNMYJJSID-JKSUJKDBSA-N -1 3 313.397 3.162 10 0 DGAEHM COc1ccsc1S(=O)(=O)[N-]CC1CCCCCC1 ZINC000451809608 241241240 /nfs/dbraw/zinc/24/12/40/241241240.db2.gz JETFZDLNNVRTAN-UHFFFAOYSA-N -1 3 303.449 3.005 10 0 DGAEHM CO[C@@H](C)[C@@H](C)NC(=O)CCc1ccc2ccccc2c1[O-] ZINC000451850902 241255834 /nfs/dbraw/zinc/25/58/34/241255834.db2.gz IQVBPLRIBBVRII-OLZOCXBDSA-N -1 3 301.386 3.018 10 0 DGAEHM Cc1cc(C(=O)NCC2CCN(c3ccccc3)CC2)ccc1[O-] ZINC000473304799 244329775 /nfs/dbraw/zinc/32/97/75/244329775.db2.gz BYYDHQGXHXLFDN-UHFFFAOYSA-N -1 3 324.424 3.347 10 0 DGAEHM Cc1cc(S(=O)(=O)[N-]c2cccc(O)c2F)c(C)s1 ZINC000127901601 284356927 /nfs/dbraw/zinc/35/69/27/284356927.db2.gz UBYAPXYVIKHTLO-UHFFFAOYSA-N -1 3 301.364 3.010 10 0 DGAEHM CCC(CC)C(=O)Nc1ccc2c3c1cccc3C(=O)[N-]C2=O ZINC000018051633 182091381 /nfs/dbraw/zinc/09/13/81/182091381.db2.gz GGGOWRKZGBANKT-UHFFFAOYSA-N -1 3 310.353 3.098 10 0 DGAEHM Cc1ccc([C@H](C)Nc2cccc3c(=O)[n-][nH]c(=O)c23)s1 ZINC000020009110 182177119 /nfs/dbraw/zinc/17/71/19/182177119.db2.gz JDQBLUHHEOGITO-VIFPVBQESA-N -1 3 301.371 3.172 10 0 DGAEHM Cc1cccc(C(=O)Nc2ccc(Br)cc2N)c1[O-] ZINC000020520837 182226565 /nfs/dbraw/zinc/22/65/65/182226565.db2.gz QRGSZQQLRSBLAB-UHFFFAOYSA-N -1 3 321.174 3.298 10 0 DGAEHM C[C@@H](c1ncc(C(C)(C)C)o1)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262060911 296245855 /nfs/dbraw/zinc/24/58/55/296245855.db2.gz BQPYXXLWPNKVLG-NVGCLXPQSA-N -1 3 306.406 3.220 10 0 DGAEHM [O-]c1c(I)c(O)ccc1-c1ccccc1 ZINC000039119062 183014423 /nfs/dbraw/zinc/01/44/23/183014423.db2.gz DMZHEBHJZRAJQO-UHFFFAOYSA-N -1 3 312.106 3.369 10 0 DGAEHM O=C1S/C(=C\c2cccc(O)c2)C(=O)N1c1ccc([O-])cc1 ZINC000039860417 183022405 /nfs/dbraw/zinc/02/24/05/183022405.db2.gz UUROKLCSMYFXOO-ZROIWOOFSA-N -1 3 313.334 3.339 10 0 DGAEHM COc1ccc2[n-]cc(C(=O)Nc3cccc(C)c3C)c(=O)c2c1 ZINC000039962779 183025460 /nfs/dbraw/zinc/02/54/60/183025460.db2.gz FSYADIGIALYSPV-UHFFFAOYSA-N -1 3 322.364 3.406 10 0 DGAEHM CCOc1ncnc([N-]c2nc3c(cccc3C)s2)c1N ZINC000040783491 183134103 /nfs/dbraw/zinc/13/41/03/183134103.db2.gz CDZLHGJQGFVRAX-UHFFFAOYSA-N -1 3 301.375 3.119 10 0 DGAEHM CC(=O)c1ccccc1NC(=O)c1cnc2c(F)cccc2c1[O-] ZINC000041055735 183160312 /nfs/dbraw/zinc/16/03/12/183160312.db2.gz ULFWIHYPVDJTSA-UHFFFAOYSA-N -1 3 324.311 3.122 10 0 DGAEHM Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1cc(C)ccc1[O-] ZINC000105882157 194155990 /nfs/dbraw/zinc/15/59/90/194155990.db2.gz UPGTUJGXWNSZSL-HNNXBMFYSA-N -1 3 313.401 3.028 10 0 DGAEHM CC(=O)Nc1cccc(C(=O)Nc2cc(Cl)ccc2[O-])c1 ZINC000057289357 184032173 /nfs/dbraw/zinc/03/21/73/184032173.db2.gz DVPLTOBSSMDDQW-UHFFFAOYSA-N -1 3 304.733 3.256 10 0 DGAEHM COc1ccc(-c2cc(=O)[n-]c(Nc3ccccc3F)n2)cc1 ZINC000057341754 184034397 /nfs/dbraw/zinc/03/43/97/184034397.db2.gz FJWTZDRMGNAEBF-UHFFFAOYSA-N -1 3 311.316 3.328 10 0 DGAEHM O=c1cc(-c2ccccc2)nc(NCc2ccc(F)cc2F)[n-]1 ZINC000057341575 184034512 /nfs/dbraw/zinc/03/45/12/184034512.db2.gz KTAJJMSRFHKBPL-UHFFFAOYSA-N -1 3 313.307 3.327 10 0 DGAEHM [O-]c1ccc(CNc2ccc3c(c2)OCO3)cc1Br ZINC000057997978 184066127 /nfs/dbraw/zinc/06/61/27/184066127.db2.gz BLOKMPMZEHPIKR-UHFFFAOYSA-N -1 3 322.158 3.496 10 0 DGAEHM CCc1cc(=O)[n-]c(CN(C)Cc2cc(C)c(OC)c(C)c2)n1 ZINC000119750792 195030666 /nfs/dbraw/zinc/03/06/66/195030666.db2.gz OMUHEIWKYOFSKS-UHFFFAOYSA-N -1 3 315.417 3.002 10 0 DGAEHM COc1cccc(C(=O)Nc2cccc([C@H](C)OC)c2)c1[O-] ZINC000170730609 533420824 /nfs/dbraw/zinc/42/08/24/533420824.db2.gz HCMBWJYAHSNWNF-NSHDSACASA-N -1 3 301.342 3.361 10 0 DGAEHM O=C([O-])c1ccc([C@H]2COCCN(Cc3ccccc3)C2)cc1 ZINC000616662489 400195082 /nfs/dbraw/zinc/19/50/82/400195082.db2.gz IJZKVBRJEMUAGK-GOSISDBHSA-N -1 3 311.381 3.001 10 0 DGAEHM Cc1ccc(CCCC(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000133199366 400568376 /nfs/dbraw/zinc/56/83/76/400568376.db2.gz LULQTVNMKYLEEH-UHFFFAOYSA-N -1 3 301.361 3.479 10 0 DGAEHM CC(=O)c1ccc(C(=O)NC2CCC3(CC3(F)F)CC2)cc1[O-] ZINC000619228122 400804314 /nfs/dbraw/zinc/80/43/14/400804314.db2.gz JSLYKCWXLBYUCJ-UHFFFAOYSA-N -1 3 323.339 3.293 10 0 DGAEHM O=S(=O)([N-]CCCC1CC1)c1c(Cl)cccc1Cl ZINC000605588399 400878168 /nfs/dbraw/zinc/87/81/68/400878168.db2.gz JKTIIFNPKGATPF-UHFFFAOYSA-N -1 3 308.230 3.462 10 0 DGAEHM O=C(N[C@H]1CCCC12CC2)c1cc([O-])cc(Br)c1 ZINC000633782844 401101351 /nfs/dbraw/zinc/10/13/51/401101351.db2.gz RLWJVQPXGOVXNI-LBPRGKRZSA-N -1 3 310.191 3.217 10 0 DGAEHM Cn1ccnc1-c1cc(NC(=O)c2ccc(C3CCC3)cc2)n[n-]1 ZINC000190805560 165216580 /nfs/dbraw/zinc/21/65/80/165216580.db2.gz XHGPWJUGCXVNGW-UHFFFAOYSA-N -1 3 321.384 3.330 10 0 DGAEHM Cn1ccnc1-c1cc(NC(=O)c2ccc(C3CCC3)cc2)[n-]n1 ZINC000190805560 165216583 /nfs/dbraw/zinc/21/65/83/165216583.db2.gz XHGPWJUGCXVNGW-UHFFFAOYSA-N -1 3 321.384 3.330 10 0 DGAEHM C[C@H](NC(=O)c1ccccc1[O-])c1ccccc1-n1cccn1 ZINC000150904226 432199682 /nfs/dbraw/zinc/19/96/82/432199682.db2.gz UXFCFLDAPXEMQH-ZDUSSCGKSA-N -1 3 307.353 3.069 10 0 DGAEHM COc1cccc(C(=O)N2CCC[C@@H]2c2cccc(C)n2)c1[O-] ZINC000151000207 432209557 /nfs/dbraw/zinc/20/95/57/432209557.db2.gz HSCLZPPXSMIXFX-OAHLLOKOSA-N -1 3 312.369 3.082 10 0 DGAEHM O=C([N-]c1nnc2ccccn21)Nc1cccc(C(F)(F)F)c1 ZINC000065314528 425902632 /nfs/dbraw/zinc/90/26/32/425902632.db2.gz OTGDYMMFSDVCIW-UHFFFAOYSA-N -1 3 321.262 3.392 10 0 DGAEHM O=C(c1cc([O-])c2ccccc2c1)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000369732508 271314363 /nfs/dbraw/zinc/31/43/63/271314363.db2.gz OUNXRVXJGVRQFN-CQSZACIVSA-N -1 3 321.380 3.288 10 0 DGAEHM C[C@@H]1c2cccn2CCN1C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000184968515 278110411 /nfs/dbraw/zinc/11/04/11/278110411.db2.gz IAAJLXMHMJCPQM-CYBMUJFWSA-N -1 3 310.397 3.290 10 0 DGAEHM CC1(C)CN(C(=O)c2cccc([O-])c2)CC[C@H]1C(F)(F)F ZINC000190696020 278324470 /nfs/dbraw/zinc/32/44/70/278324470.db2.gz IUEMWHLFKBKSBX-GFCCVEGCSA-N -1 3 301.308 3.443 10 0 DGAEHM O=C(Oc1ccc2c([O-])coc2c1)C(Cl)=C(Cl)Cl ZINC000002144513 431244679 /nfs/dbraw/zinc/24/46/79/431244679.db2.gz PMMNSUAEEQNIGD-UHFFFAOYSA-N -1 3 307.516 3.053 10 0 DGAEHM Cc1[nH]c2c(C(=O)[O-])cccc2c(=O)c1CN1CCCC[C@H]1C ZINC000008713928 431406203 /nfs/dbraw/zinc/40/62/03/431406203.db2.gz GFPWOKBJYFGUDE-LLVKDONJSA-N -1 3 314.385 3.321 10 0 DGAEHM CC(=O)c1csc(C(=O)[N-]c2ncnc3oc(C)c(C)c32)c1 ZINC000118199640 431590283 /nfs/dbraw/zinc/59/02/83/431590283.db2.gz YCGLDPHBSFXVPT-UHFFFAOYSA-N -1 3 315.354 3.356 10 0 DGAEHM COc1ccc([C@H]2C[C@H](C)N(C(=O)c3ccccc3[O-])C2)cc1 ZINC000078187867 431647793 /nfs/dbraw/zinc/64/77/93/431647793.db2.gz MUWFMGSAUCOXON-ZFWWWQNUSA-N -1 3 311.381 3.419 10 0 DGAEHM CCCc1ccc(C(=O)Nc2cc(-c3nccn3C)[n-]n2)cc1 ZINC000119465219 431696194 /nfs/dbraw/zinc/69/61/94/431696194.db2.gz AANAQTSOMUNGNP-UHFFFAOYSA-N -1 3 309.373 3.015 10 0 DGAEHM CCCc1ccc(C(=O)Nc2cc(-c3nccn3C)n[n-]2)cc1 ZINC000119465219 431696198 /nfs/dbraw/zinc/69/61/98/431696198.db2.gz AANAQTSOMUNGNP-UHFFFAOYSA-N -1 3 309.373 3.015 10 0 DGAEHM O=[S@@](Cc1ncc(-c2cccc(F)c2)o1)c1ccc([O-])cc1 ZINC000083079582 431807268 /nfs/dbraw/zinc/80/72/68/431807268.db2.gz OENGAYUNAOABKF-JOCHJYFZSA-N -1 3 317.341 3.494 10 0 DGAEHM C[C@H](NCc1nc(=O)c2sccc2[n-]1)c1cccc(Cl)c1 ZINC000037975724 431852133 /nfs/dbraw/zinc/85/21/33/431852133.db2.gz JVXOWHYKJYTNQS-VIFPVBQESA-N -1 3 319.817 3.489 10 0 DGAEHM COc1ccc(OCc2nc(=O)c3c(C)c(C)sc3[n-]2)cc1 ZINC000041864304 431861073 /nfs/dbraw/zinc/86/10/73/431861073.db2.gz GZGWCPNWSCUANJ-UHFFFAOYSA-N -1 3 316.382 3.189 10 0 DGAEHM COC(=O)c1coc(C(=O)[N-]c2nc3c(cccc3C)s2)c1 ZINC000183733805 432320733 /nfs/dbraw/zinc/32/07/33/432320733.db2.gz PKZXPQGSGIYCEX-UHFFFAOYSA-N -1 3 316.338 3.237 10 0 DGAEHM Cc1cc(C)cc([C@@H]2CCN(C(=O)c3ccc(O)cc3[O-])C2)c1 ZINC000183750376 432322228 /nfs/dbraw/zinc/32/22/28/432322228.db2.gz UFRQASRKWDYLAL-CQSZACIVSA-N -1 3 311.381 3.344 10 0 DGAEHM CC[C@H]1CN(c2ccccc2)CCN1C(=O)c1cccc([O-])c1 ZINC000184274257 432373308 /nfs/dbraw/zinc/37/33/08/432373308.db2.gz LZXUXTLVUGGECN-INIZCTEOSA-N -1 3 310.397 3.133 10 0 DGAEHM CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)Nc2ccccc2[O-])C1 ZINC000175085257 432396342 /nfs/dbraw/zinc/39/63/42/432396342.db2.gz GJXRUOVXBMTZOZ-VXGBXAGGSA-N -1 3 320.389 3.024 10 0 DGAEHM COc1ccc([C@@H](C)N[C@@H](C)c2nc(C)cc(=O)[n-]2)cc1F ZINC000192723370 432405515 /nfs/dbraw/zinc/40/55/15/432405515.db2.gz PBIDMDBGLRYPKF-MNOVXSKESA-N -1 3 305.353 3.050 10 0 DGAEHM Cc1cccc([O-])c1NC(=O)c1csc(C(F)(F)F)n1 ZINC000193739935 432495320 /nfs/dbraw/zinc/49/53/20/432495320.db2.gz UEFFRXMMJYFFBY-UHFFFAOYSA-N -1 3 302.277 3.428 10 0 DGAEHM Cc1cccc(C(=O)NCc2nc3ccccc3n2C2CC2)c1[O-] ZINC000186268529 432576865 /nfs/dbraw/zinc/57/68/65/432576865.db2.gz RADNRWPKWCSHPN-UHFFFAOYSA-N -1 3 321.380 3.315 10 0 DGAEHM O=C(Cc1ccccc1)NCc1ccc([O-])c(Br)c1 ZINC000178020150 432684556 /nfs/dbraw/zinc/68/45/56/432684556.db2.gz BNKDGIINKFUJOY-UHFFFAOYSA-N -1 3 320.186 3.014 10 0 DGAEHM CN(Cc1ccc(F)cc1Cl)C(=O)c1cccc2[n-]nnc21 ZINC000187808693 432687110 /nfs/dbraw/zinc/68/71/10/432687110.db2.gz RXZDETULWSASHS-UHFFFAOYSA-N -1 3 318.739 3.023 10 0 DGAEHM CN(Cc1ccc(F)cc1Cl)C(=O)c1cccc2nn[n-]c21 ZINC000187808693 432687115 /nfs/dbraw/zinc/68/71/15/432687115.db2.gz RXZDETULWSASHS-UHFFFAOYSA-N -1 3 318.739 3.023 10 0 DGAEHM CN(Cc1ccc(F)cc1Cl)C(=O)c1cccc2n[n-]nc21 ZINC000187808693 432687120 /nfs/dbraw/zinc/68/71/20/432687120.db2.gz RXZDETULWSASHS-UHFFFAOYSA-N -1 3 318.739 3.023 10 0 DGAEHM CO[C@@H](C)c1cccc(NC(=O)c2n[n-]nc2-c2ccccc2)c1 ZINC000188867048 432750773 /nfs/dbraw/zinc/75/07/73/432750773.db2.gz LOADMGFKPGIFOQ-LBPRGKRZSA-N -1 3 322.368 3.431 10 0 DGAEHM CC(F)(F)c1cccc(NC(=O)c2cccc3nn[n-]c32)c1 ZINC000188923062 432752589 /nfs/dbraw/zinc/75/25/89/432752589.db2.gz JWUUSXFVTQVADC-UHFFFAOYSA-N -1 3 302.284 3.322 10 0 DGAEHM CC(F)(F)c1cccc(NC(=O)c2cccc3[n-]nnc32)c1 ZINC000188923062 432752594 /nfs/dbraw/zinc/75/25/94/432752594.db2.gz JWUUSXFVTQVADC-UHFFFAOYSA-N -1 3 302.284 3.322 10 0 DGAEHM CC(F)(F)c1cccc(NC(=O)c2cccc3n[n-]nc32)c1 ZINC000188923062 432752597 /nfs/dbraw/zinc/75/25/97/432752597.db2.gz JWUUSXFVTQVADC-UHFFFAOYSA-N -1 3 302.284 3.322 10 0 DGAEHM C[C@@H]1CCCN(Cc2cccc(Br)c2)[C@H]1C(=O)[O-] ZINC000300272940 433392110 /nfs/dbraw/zinc/39/21/10/433392110.db2.gz OBEYFWRTPFAOMW-ZWNOBZJWSA-N -1 3 312.207 3.134 10 0 DGAEHM C[C@H]1CCCN(Cc2ccc(Br)cc2)[C@H]1C(=O)[O-] ZINC000300269797 433393037 /nfs/dbraw/zinc/39/30/37/433393037.db2.gz DYEWFHHCUUOJKQ-GXFFZTMASA-N -1 3 312.207 3.134 10 0 DGAEHM COc1ccc(C2CCN(C(=O)c3cccc([O-])c3)CC2)cc1 ZINC000376850401 433830526 /nfs/dbraw/zinc/83/05/26/433830526.db2.gz DBRMGRVXQHNAON-UHFFFAOYSA-N -1 3 311.381 3.421 10 0 DGAEHM CC(=O)c1ccc(C(=O)[N-]c2csc(-c3ccccn3)n2)o1 ZINC000362733310 433839688 /nfs/dbraw/zinc/83/96/88/433839688.db2.gz BFFSWIHZCAQEFU-UHFFFAOYSA-N -1 3 313.338 3.253 10 0 DGAEHM CCN(C(=O)c1cccc([O-])c1)c1ccc(OC)c(OC)c1 ZINC000357196388 433904230 /nfs/dbraw/zinc/90/42/30/433904230.db2.gz YPPLJQHCZQHEDS-UHFFFAOYSA-N -1 3 301.342 3.076 10 0 DGAEHM O=C(Nc1ccc(Oc2cccnc2)nc1)c1cccc([O-])c1 ZINC000357254147 433925765 /nfs/dbraw/zinc/92/57/65/433925765.db2.gz HFAORCSSILUVRR-UHFFFAOYSA-N -1 3 307.309 3.227 10 0 DGAEHM O=C(N[C@H]1CCOc2ccc(F)cc21)c1cc([O-])ccc1Cl ZINC000377924589 434037181 /nfs/dbraw/zinc/03/71/81/434037181.db2.gz XDDYDRDZSOSYHR-AWEZNQCLSA-N -1 3 321.735 3.438 10 0 DGAEHM Cc1cc(F)ccc1S(=O)(=O)[N-]C1(C(F)F)CCCCC1 ZINC000508114521 294317772 /nfs/dbraw/zinc/31/77/72/294317772.db2.gz DAAVLYWBCWIXKT-UHFFFAOYSA-N -1 3 321.364 3.380 10 0 DGAEHM CC(=O)c1ccc(C(=O)N[C@H](C)c2ccc(F)c(F)c2)cc1[O-] ZINC000436848562 434137236 /nfs/dbraw/zinc/13/72/36/434137236.db2.gz ATBLHRUSIYONRJ-SECBINFHSA-N -1 3 319.307 3.364 10 0 DGAEHM CCOc1nc2cc(C(=O)N(C)C[C@H]3CC=CCC3)ccc2[n-]1 ZINC000450559859 434267537 /nfs/dbraw/zinc/26/75/37/434267537.db2.gz QHSPSJULXCELDG-ZDUSSCGKSA-N -1 3 313.401 3.390 10 0 DGAEHM CCOc1nc2ccc(C(=O)N(C)C[C@H]3CC=CCC3)cc2[n-]1 ZINC000450559859 434267549 /nfs/dbraw/zinc/26/75/49/434267549.db2.gz QHSPSJULXCELDG-ZDUSSCGKSA-N -1 3 313.401 3.390 10 0 DGAEHM Nc1cnc(-c2nc(=O)c3c(-c4ccccc4)csc3[n-]2)cn1 ZINC000554521287 434932439 /nfs/dbraw/zinc/93/24/39/434932439.db2.gz CWRYIMIKLWKBMU-UHFFFAOYSA-N -1 3 321.365 3.103 10 0 DGAEHM CC(C)(C)CCCCC(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000557576855 435058821 /nfs/dbraw/zinc/05/88/21/435058821.db2.gz YYNWFBOKOHZCLM-UHFFFAOYSA-N -1 3 315.421 3.336 10 0 DGAEHM CC(C)(C)CCCCC(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000557576855 435058825 /nfs/dbraw/zinc/05/88/25/435058825.db2.gz YYNWFBOKOHZCLM-UHFFFAOYSA-N -1 3 315.421 3.336 10 0 DGAEHM CCc1cc(OC(F)F)cc([O-])c1I ZINC000575656987 435039454 /nfs/dbraw/zinc/03/94/54/435039454.db2.gz XWQYTQUAZKGAKW-UHFFFAOYSA-N -1 3 314.069 3.161 10 0 DGAEHM CC(=O)c1cc(C(F)F)c(I)cc1[O-] ZINC000575669893 435041746 /nfs/dbraw/zinc/04/17/46/435041746.db2.gz RQKXNNXCJKRBRZ-UHFFFAOYSA-N -1 3 312.053 3.137 10 0 DGAEHM [O-]c1c(Br)c(OC(F)F)ccc1OC(F)F ZINC000575675248 435043271 /nfs/dbraw/zinc/04/32/71/435043271.db2.gz JUJDLMDFNQTGJB-UHFFFAOYSA-N -1 3 305.021 3.358 10 0 DGAEHM CC(=O)N(C)c1ccc(-c2nc(-c3ccc([O-])cc3)no2)cc1 ZINC000350580077 312921382 /nfs/dbraw/zinc/92/13/82/312921382.db2.gz OZCCFJPXWZKVAU-UHFFFAOYSA-N -1 3 309.325 3.092 10 0 DGAEHM CC1(C2(NC(=O)c3cc([O-])cc(Br)c3)CC2)CC1 ZINC000529462599 313201170 /nfs/dbraw/zinc/20/11/70/313201170.db2.gz DCFYUWGQAQWPAL-UHFFFAOYSA-N -1 3 310.191 3.217 10 0 DGAEHM c1csc([C@H](CN=c2[n-]c(C3CCC3)no2)N2CCCC2)c1 ZINC000566837229 315377175 /nfs/dbraw/zinc/37/71/75/315377175.db2.gz LAVXMXSQHDALLQ-ZDUSSCGKSA-N -1 3 318.446 3.070 10 0 DGAEHM CC(C)CCn1cccc1C[N-]c1nnc([C@H]2CCCO2)o1 ZINC000181798599 323270374 /nfs/dbraw/zinc/27/03/74/323270374.db2.gz WMCRYKYXRIDDEZ-CQSZACIVSA-N -1 3 304.394 3.381 10 0 DGAEHM CC(=O)c1cnc([N-]C(=O)c2csc(C(F)(F)F)n2)s1 ZINC000189398315 323436028 /nfs/dbraw/zinc/43/60/28/323436028.db2.gz KUFUMBCDUMHOSE-UHFFFAOYSA-N -1 3 321.305 3.073 10 0 DGAEHM COc1cc(CNCc2ccoc2)cc(Br)c1[O-] ZINC000132163367 533886706 /nfs/dbraw/zinc/88/67/06/533886706.db2.gz NQPFUARYMGMIKR-UHFFFAOYSA-N -1 3 312.163 3.046 10 0 DGAEHM O=c1cc(CN2CCSCC2)nc(-c2ccc(Cl)cc2)[n-]1 ZINC000073637701 526331966 /nfs/dbraw/zinc/33/19/66/526331966.db2.gz MHKXXRYCHZFVBT-UHFFFAOYSA-N -1 3 321.833 3.051 10 0 DGAEHM CC(=O)Nc1ccc(NC(=O)c2ccc3c(c2[O-])CCCC3)cc1 ZINC000184779474 527012946 /nfs/dbraw/zinc/01/29/46/527012946.db2.gz QEHPXORQFWYGNP-UHFFFAOYSA-N -1 3 324.380 3.482 10 0 DGAEHM Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)c1cccc(C)c1[O-] ZINC000156212823 527587832 /nfs/dbraw/zinc/58/78/32/527587832.db2.gz QJQOFPHABUFGAM-LBPRGKRZSA-N -1 3 315.417 3.452 10 0 DGAEHM CCc1ccc([O-])c(C(=O)N2CC[C@@H](C(F)(F)F)[C@@H]2C)c1 ZINC000473385553 536190951 /nfs/dbraw/zinc/19/09/51/536190951.db2.gz FPFHRDDNGSAIOI-JOYOIKCWSA-N -1 3 301.308 3.368 10 0 DGAEHM CN(C)[C@H](Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000153559498 546011040 /nfs/dbraw/zinc/01/10/40/546011040.db2.gz OHDRSKKFPLSEBT-OAHLLOKOSA-N -1 3 318.804 3.157 10 0 DGAEHM COc1ccc(NC(=O)c2ccc(-n3cc(C)cn3)cc2)c([O-])c1 ZINC000443566656 546835950 /nfs/dbraw/zinc/83/59/50/546835950.db2.gz NBHOXKLDFPQFAV-UHFFFAOYSA-N -1 3 323.352 3.147 10 0 DGAEHM CSCCCC(=O)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000152172274 620495768 /nfs/dbraw/zinc/49/57/68/620495768.db2.gz FRAUWJGCSXOUCI-UHFFFAOYSA-N -1 3 307.337 3.396 10 0 DGAEHM CCc1ccc(O)c([N-]S(=O)(=O)/C=C\c2ccccc2)c1 ZINC000255298966 655693880 /nfs/dbraw/zinc/69/38/80/655693880.db2.gz ZSNXQEOSQSFLQK-KHPPLWFESA-N -1 3 303.383 3.367 10 0 DGAEHM CC(C)[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cccnc1Cl ZINC000096811229 657557071 /nfs/dbraw/zinc/55/70/71/657557071.db2.gz SUXGCIBWHJUREN-RYUDHWBXSA-N -1 3 316.854 3.228 10 0 DGAEHM O=S(=O)([N-]CCC1=CCCC1)c1cnc(Cl)c(Cl)c1 ZINC000229180489 659243629 /nfs/dbraw/zinc/24/36/29/659243629.db2.gz XKAOGJJKKQZYER-UHFFFAOYSA-N -1 3 321.229 3.167 10 0 DGAEHM C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc([O-])c1F ZINC000183573318 660123747 /nfs/dbraw/zinc/12/37/47/660123747.db2.gz UXXVZCNITMJIRY-MDZDMXLPSA-N -1 3 316.288 3.482 10 0 DGAEHM C[C@H](C1CC1)n1cc([N-]S(=O)(=O)/C=C/c2ccccc2)cn1 ZINC000187738821 661903021 /nfs/dbraw/zinc/90/30/21/661903021.db2.gz MFYSMGSXZKTIRS-WTNCMQEWSA-N -1 3 317.414 3.267 10 0 DGAEHM CC(C)[C@]1(C)C[C@@H]1[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000397197664 1177001105 /nfs/dbraw/zinc/00/11/05/1177001105.db2.gz SYKWWJUFELUSPC-JQWIXIFHSA-N -1 3 323.245 3.101 10 0 DGAEHM C[C@@H](CCC(C)(C)C)[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000386312537 1177402644 /nfs/dbraw/zinc/40/26/44/1177402644.db2.gz XARYAGXBJHQPTA-VIFPVBQESA-N -1 3 322.833 3.367 10 0 DGAEHM CC(C)[C@H]([N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)C1CC1 ZINC000324191855 1197692820 /nfs/dbraw/zinc/69/28/20/1197692820.db2.gz ORDGYRQXRXVQQZ-NSHDSACASA-N -1 3 323.245 3.101 10 0 DGAEHM CC(C)C[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000385638885 1197707542 /nfs/dbraw/zinc/70/75/42/1197707542.db2.gz IDFZRLMGTCFUIR-LDYMZIIASA-N -1 3 323.245 3.101 10 0 DGAEHM CC1(C[N-]S(=O)(=O)c2cnc(Cl)c(F)c2)CCCCC1 ZINC000313173617 1199760287 /nfs/dbraw/zinc/76/02/87/1199760287.db2.gz UYQMCDJKHDOUQP-UHFFFAOYSA-N -1 3 320.817 3.123 10 0 DGAEHM O=C([O-])CCN(Cc1ccccc1)Cc1cc(F)cc(F)c1 ZINC000692425260 976465050 /nfs/dbraw/zinc/46/50/50/976465050.db2.gz GCDRTKQCVFDAFA-UHFFFAOYSA-N -1 3 305.324 3.442 10 0 DGAEHM C[C@H]1CCSCCN1C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000189997526 290612911 /nfs/dbraw/zinc/61/29/11/290612911.db2.gz NALQYBBUNZJYMZ-LBPRGKRZSA-N -1 3 305.443 3.239 10 0 DGAEHM Cc1ccc(NC(=O)c2cnn(CCC(F)(F)F)c2)c([O-])c1 ZINC000181705045 199341862 /nfs/dbraw/zinc/34/18/62/199341862.db2.gz FLUQGZCHKGMHPD-UHFFFAOYSA-N -1 3 313.279 3.102 10 0 DGAEHM Cn1ccnc1-c1cc(NC(=O)c2cccc(C(F)F)c2)n[n-]1 ZINC000179052820 432036482 /nfs/dbraw/zinc/03/64/82/432036482.db2.gz KBLWOYDKROSGTJ-UHFFFAOYSA-N -1 3 317.299 3.000 10 0 DGAEHM Cn1ccnc1-c1cc(NC(=O)c2cccc(C(F)F)c2)[n-]n1 ZINC000179052820 432036486 /nfs/dbraw/zinc/03/64/86/432036486.db2.gz KBLWOYDKROSGTJ-UHFFFAOYSA-N -1 3 317.299 3.000 10 0 DGAEHM O=C(/C=C/c1cncc([O-])c1)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000179451651 432059345 /nfs/dbraw/zinc/05/93/45/432059345.db2.gz NAPPIDQKOCUEKI-FKVZDPJESA-N -1 3 314.772 3.258 10 0 DGAEHM CCc1ccc(C(=O)N2CCO[C@@H](c3ccsc3)C2)c([O-])c1 ZINC000188336175 200229743 /nfs/dbraw/zinc/22/97/43/200229743.db2.gz JXKWZSVSOPUGGZ-MRXNPFEDSA-N -1 3 317.410 3.230 10 0 DGAEHM Cc1ccc([O-])c(C(=O)N2CCC[C@H](c3nccs3)C2)c1 ZINC000170891023 432086812 /nfs/dbraw/zinc/08/68/12/432086812.db2.gz VXQURJTWIOQNSS-LBPRGKRZSA-N -1 3 302.399 3.177 10 0 DGAEHM Cc1ccc([C@@H]2CCCCN2CCC[N-]C(=O)C(F)(F)F)o1 ZINC000091581478 193075439 /nfs/dbraw/zinc/07/54/39/193075439.db2.gz DLTNPSBIKUVYSQ-LBPRGKRZSA-N -1 3 318.339 3.184 10 0 DGAEHM COc1ccc(Br)cc1NCc1nc(C)ccc1[O-] ZINC000091995091 193138607 /nfs/dbraw/zinc/13/86/07/193138607.db2.gz WGHOZJJZLYPFNW-UHFFFAOYSA-N -1 3 323.190 3.479 10 0 DGAEHM Cc1cc(C)c(NCc2nc(C(F)(F)F)cc(=O)[n-]2)c(C)c1 ZINC000092215017 193173981 /nfs/dbraw/zinc/17/39/81/193173981.db2.gz HWZIEEMTAZEDTQ-UHFFFAOYSA-N -1 3 311.307 3.326 10 0 DGAEHM COc1cccc(C(=O)NCCc2c[nH]c3cccc(C)c23)c1[O-] ZINC000103205035 284026985 /nfs/dbraw/zinc/02/69/85/284026985.db2.gz OMYBBXSBBNPXGW-UHFFFAOYSA-N -1 3 324.380 3.163 10 0 DGAEHM COc1ccc(C(=O)N(C)Cc2ccc(F)cc2Cl)c([O-])c1 ZINC000107159893 284052528 /nfs/dbraw/zinc/05/25/28/284052528.db2.gz KORIPXZYVDMJTK-UHFFFAOYSA-N -1 3 323.751 3.466 10 0 DGAEHM Cn1cccc1[C@@H]1CCCCN1Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459361603 243349266 /nfs/dbraw/zinc/34/92/66/243349266.db2.gz PKUWTFQZVWDEQR-INIZCTEOSA-N -1 3 312.417 3.125 10 0 DGAEHM Cc1csc(C2CCN(C(=O)c3cc(C)ccc3[O-])CC2)n1 ZINC000171275098 432119154 /nfs/dbraw/zinc/11/91/54/432119154.db2.gz JYDMFIPLOKFWSM-UHFFFAOYSA-N -1 3 316.426 3.485 10 0 DGAEHM C[C@H](CC(=O)Nc1cc(-c2nccn2C)[n-]n1)C1CCCCC1 ZINC000119380767 284141922 /nfs/dbraw/zinc/14/19/22/284141922.db2.gz AUWSQOUKNVFEHL-GFCCVEGCSA-N -1 3 315.421 3.355 10 0 DGAEHM C[C@H](CC(=O)Nc1cc(-c2nccn2C)n[n-]1)C1CCCCC1 ZINC000119380767 284141925 /nfs/dbraw/zinc/14/19/25/284141925.db2.gz AUWSQOUKNVFEHL-GFCCVEGCSA-N -1 3 315.421 3.355 10 0 DGAEHM CC1(C)C[C@@H](NC(=O)c2ccc(O)cc2[O-])c2ccccc2O1 ZINC000121391588 284195764 /nfs/dbraw/zinc/19/57/64/284195764.db2.gz OXGHMLZYENMDKQ-CQSZACIVSA-N -1 3 313.353 3.130 10 0 DGAEHM COc1cccc2c1[n-]cc(C(=O)Nc1cccc(C)c1C)c2=O ZINC000039962869 183025253 /nfs/dbraw/zinc/02/52/53/183025253.db2.gz APVXOYVBGMKWEV-UHFFFAOYSA-N -1 3 322.364 3.406 10 0 DGAEHM O=C(/C=C\c1ccc(Br)o1)[N-]OCc1ccccc1 ZINC000056696811 184017603 /nfs/dbraw/zinc/01/76/03/184017603.db2.gz SQMQEHKYVQVZRK-CLFYSBASSA-N -1 3 322.158 3.303 10 0 DGAEHM Cc1csc(C2(NC(=O)c3cc(C)ccc3[O-])CCC2)n1 ZINC000608556584 400084653 /nfs/dbraw/zinc/08/46/53/400084653.db2.gz UVMLWVZUXRGAPH-UHFFFAOYSA-N -1 3 302.399 3.275 10 0 DGAEHM O=C([O-])c1ccccc1[C@@H]1COCCN(Cc2ccccc2)C1 ZINC000616598919 400181323 /nfs/dbraw/zinc/18/13/23/400181323.db2.gz VOFGDJRIQMETMG-INIZCTEOSA-N -1 3 311.381 3.001 10 0 DGAEHM Cc1ccc([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2F)o1 ZINC000021188253 400191767 /nfs/dbraw/zinc/19/17/67/400191767.db2.gz SVRHBQJAHUYGGU-SECBINFHSA-N -1 3 317.769 3.420 10 0 DGAEHM Cc1ccccc1[C@H](C)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000154929291 400698220 /nfs/dbraw/zinc/69/82/20/400698220.db2.gz LGHQRVVMQANJEN-LBPRGKRZSA-N -1 3 302.349 3.400 10 0 DGAEHM CC(=O)c1ccc(C(=O)NCC(C)(C)CC(F)(F)F)cc1[O-] ZINC000621225555 401132063 /nfs/dbraw/zinc/13/20/63/401132063.db2.gz WEQUQROYNPYMJL-UHFFFAOYSA-N -1 3 317.307 3.303 10 0 DGAEHM O=C(NC[C@@H]1CC[C@H]2C[C@H]2C1)c1cc([O-])cc(Br)c1 ZINC000628288214 401568327 /nfs/dbraw/zinc/56/83/27/401568327.db2.gz DTQAIVFWFCZAGF-OUAUKWLOSA-N -1 3 324.218 3.321 10 0 DGAEHM COc1ccc([O-])c(C(=O)N2CCc3[nH]c4ccccc4c3C2)c1 ZINC000192826211 165307913 /nfs/dbraw/zinc/30/79/13/165307913.db2.gz TXMOIPJAVIYKII-UHFFFAOYSA-N -1 3 322.364 3.081 10 0 DGAEHM O=C(c1cc([O-])c2ccccc2c1)N1CCC[C@H](n2ccnc2)C1 ZINC000365546679 287144580 /nfs/dbraw/zinc/14/45/80/287144580.db2.gz MLOABMMHMYJRDQ-INIZCTEOSA-N -1 3 321.380 3.219 10 0 DGAEHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1CC(=O)Nc2ccccc21 ZINC000129456479 196050295 /nfs/dbraw/zinc/05/02/95/196050295.db2.gz POJBBIWRUIVTAO-LLVKDONJSA-N -1 3 316.744 3.110 10 0 DGAEHM C[C@@H](NC(=O)c1cccc([O-])c1)c1ccccc1-n1cccn1 ZINC000182609485 432210475 /nfs/dbraw/zinc/21/04/75/432210475.db2.gz YWAWOFOQQJWYRG-CYBMUJFWSA-N -1 3 307.353 3.069 10 0 DGAEHM C[C@H]1CN(Cc2cc([O-])ccc2Br)CCS1 ZINC000131400059 196165042 /nfs/dbraw/zinc/16/50/42/196165042.db2.gz UNPHHIAAVWTLSL-VIFPVBQESA-N -1 3 302.237 3.092 10 0 DGAEHM O=C(C[C@@H]1CCOc2ccccc21)NCc1ccc([O-])c(F)c1 ZINC000132877916 196292582 /nfs/dbraw/zinc/29/25/82/196292582.db2.gz JCHKPTHOTGUFOD-ZDUSSCGKSA-N -1 3 315.344 3.104 10 0 DGAEHM CC[C@@H]1CN(c2ccccc2)CCN1C(=O)c1ccccc1[O-] ZINC000183628811 276498563 /nfs/dbraw/zinc/49/85/63/276498563.db2.gz FORPEMDVJKNMFO-OAHLLOKOSA-N -1 3 310.397 3.133 10 0 DGAEHM Cc1cc(=O)[n-]c([C@H](C)N2CCc3[nH]c4ccccc4c3C2)n1 ZINC000192666066 278737371 /nfs/dbraw/zinc/73/73/71/278737371.db2.gz HUNNMEZNOVAWCF-LBPRGKRZSA-N -1 3 308.385 3.091 10 0 DGAEHM CC(C)C[C@H](CN[C@H]1CCc2cc(F)c(F)c(F)c21)C(=O)[O-] ZINC000263093267 279165430 /nfs/dbraw/zinc/16/54/30/279165430.db2.gz USDBCJRBMYVKCG-PWSUYJOCSA-N -1 3 315.335 3.428 10 0 DGAEHM Cc1ccc(C(=O)N2C[C@@H](c3ccccc3)OC[C@@H]2C)c([O-])c1 ZINC000110315324 431187240 /nfs/dbraw/zinc/18/72/40/431187240.db2.gz NALUFAJLCKXSFX-KSSFIOAISA-N -1 3 311.381 3.303 10 0 DGAEHM O=S(=O)([N-]C[C@@H]1C[C@H]1c1ccccc1)c1ccc(F)cc1F ZINC000111358142 431215602 /nfs/dbraw/zinc/21/56/02/431215602.db2.gz LQUTVBHZQVQQDQ-JSGCOSHPSA-N -1 3 323.364 3.047 10 0 DGAEHM CCc1csc([C@H]2CCCN(C(=O)c3ccccc3[O-])C2)n1 ZINC000113440517 431348823 /nfs/dbraw/zinc/34/88/23/431348823.db2.gz XKLFYYLNMDMEIP-LBPRGKRZSA-N -1 3 316.426 3.431 10 0 DGAEHM COc1cccc(C(=O)N2C[C@@H](c3ccccc3)C[C@H]2C)c1[O-] ZINC000115144483 431433445 /nfs/dbraw/zinc/43/34/45/431433445.db2.gz DBQJFXXOPURJPV-HIFRSBDPSA-N -1 3 311.381 3.419 10 0 DGAEHM COc1cc(NCc2nc(C)ccc2[O-])ccc1Br ZINC000118906587 431624019 /nfs/dbraw/zinc/62/40/19/431624019.db2.gz FETOUKBYAPXVHZ-UHFFFAOYSA-N -1 3 323.190 3.479 10 0 DGAEHM CC(C)Oc1cccnc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000080004039 431755581 /nfs/dbraw/zinc/75/55/81/431755581.db2.gz JPMWAYHZRJVOQR-UHFFFAOYSA-N -1 3 306.749 3.480 10 0 DGAEHM C[C@H]1CN(C(=O)c2ccccc2[O-])C[C@@H](c2ccc(F)cc2)O1 ZINC000173524895 432284888 /nfs/dbraw/zinc/28/48/88/432284888.db2.gz IVDFHVWDAWSGJV-SJCJKPOMSA-N -1 3 315.344 3.134 10 0 DGAEHM Cc1csc([C@H]2CCCN(C(=O)c3ccccc3[O-])C2)n1 ZINC000173752293 432298388 /nfs/dbraw/zinc/29/83/88/432298388.db2.gz GWPZSRBKRPLLJH-LBPRGKRZSA-N -1 3 302.399 3.177 10 0 DGAEHM O=[S@](Cc1coc(-c2ccc(F)cc2)n1)c1cccc([O-])c1 ZINC000184047699 432348790 /nfs/dbraw/zinc/34/87/90/432348790.db2.gz XHPZQVZKNRUEBD-JOCHJYFZSA-N -1 3 317.341 3.494 10 0 DGAEHM O=[S@@](Cc1ccn(-c2ccc(F)cc2)n1)c1cccc([O-])c1 ZINC000184066780 432351412 /nfs/dbraw/zinc/35/14/12/432351412.db2.gz TZJGGGNMORLMKE-QFIPXVFZSA-N -1 3 316.357 3.025 10 0 DGAEHM Cc1cc(=O)[n-]c([C@H](C)N[C@H](C)c2ccccc2-n2cccn2)n1 ZINC000192733600 432406869 /nfs/dbraw/zinc/40/68/69/432406869.db2.gz UFUCGBSGPLYXNM-KGLIPLIRSA-N -1 3 323.400 3.088 10 0 DGAEHM O=C(c1ccc2c(c1[O-])CCCC2)N(Cc1cccnc1)C1CC1 ZINC000184958465 432449813 /nfs/dbraw/zinc/44/98/13/432449813.db2.gz NSQRJLHDXGVHMV-UHFFFAOYSA-N -1 3 322.408 3.471 10 0 DGAEHM COC(=O)c1coc(C(=O)[N-]c2c(C)cccc2SC)c1 ZINC000184626339 432414566 /nfs/dbraw/zinc/41/45/66/432414566.db2.gz ANDRZGQTTKKLOA-UHFFFAOYSA-N -1 3 305.355 3.349 10 0 DGAEHM COC[C@@H]([N-]S(=O)(=O)c1cccc(C(C)C)c1)c1ccco1 ZINC000175357565 432427848 /nfs/dbraw/zinc/42/78/48/432427848.db2.gz UUTJLRLMJDYEHR-OAHLLOKOSA-N -1 3 323.414 3.069 10 0 DGAEHM Cc1cc(C)n([C@H](C)C(=O)N2CC[C@@H](C)c3cccc([O-])c32)n1 ZINC000186281277 432578360 /nfs/dbraw/zinc/57/83/60/432578360.db2.gz CCLRRYRFQMCHTN-BXUZGUMPSA-N -1 3 313.401 3.307 10 0 DGAEHM Cc1ccc([O-])c(C(=O)N(C)Cc2cnn(-c3ccccc3)c2)c1 ZINC000198518258 432636527 /nfs/dbraw/zinc/63/65/27/432636527.db2.gz DZMRXGMVWNMFBI-UHFFFAOYSA-N -1 3 321.380 3.159 10 0 DGAEHM CO[C@@H]1CN(Cc2cc([O-])ccc2Br)CC[C@@H]1C ZINC000221276428 432668209 /nfs/dbraw/zinc/66/82/09/432668209.db2.gz TUPHXDQJXXBFPN-IINYFYTJSA-N -1 3 314.223 3.012 10 0 DGAEHM C[C@H]1CCCN(Cc2ccc(Br)cc2)[C@@H]1C(=O)[O-] ZINC000235664163 432745108 /nfs/dbraw/zinc/74/51/08/432745108.db2.gz DYEWFHHCUUOJKQ-GWCFXTLKSA-N -1 3 312.207 3.134 10 0 DGAEHM CC(=O)c1ccc(C(=O)N[C@H](C)CCc2ccc(C)o2)cc1[O-] ZINC000412146146 433070500 /nfs/dbraw/zinc/07/05/00/433070500.db2.gz KFLNITBXDMFREM-LLVKDONJSA-N -1 3 315.369 3.247 10 0 DGAEHM C[C@H]1CCCN(Cc2cccc(Br)c2)[C@H]1C(=O)[O-] ZINC000300272938 433391701 /nfs/dbraw/zinc/39/17/01/433391701.db2.gz OBEYFWRTPFAOMW-GXFFZTMASA-N -1 3 312.207 3.134 10 0 DGAEHM COc1ccc(Cl)c(S(=O)(=O)[N-]CCC2=CCCC2)c1 ZINC000159083358 292783705 /nfs/dbraw/zinc/78/37/05/292783705.db2.gz VPFXJLJZIRUXCY-UHFFFAOYSA-N -1 3 315.822 3.127 10 0 DGAEHM Cc1nc(C)c(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)nc1C ZINC000186286593 293216544 /nfs/dbraw/zinc/21/65/44/293216544.db2.gz AKIDJFPNOUVMMM-SNVBAGLBSA-N -1 3 311.385 3.261 10 0 DGAEHM O=C(N[C@@H]1CCCc2c[nH]nc21)c1cc([O-])c2ccccc2c1 ZINC000376759905 433812885 /nfs/dbraw/zinc/81/28/85/433812885.db2.gz XGNQUVGLSUHRAL-OAHLLOKOSA-N -1 3 307.353 3.076 10 0 DGAEHM COC(=O)c1ccc(C[N-]c2nc(-c3ccc(C)cc3)no2)o1 ZINC000302713834 433836391 /nfs/dbraw/zinc/83/63/91/433836391.db2.gz LPRCFFVOHJJHBN-UHFFFAOYSA-N -1 3 313.313 3.037 10 0 DGAEHM COc1cccc([C@H]2C[C@H](N(C)C(=O)c3cccc([O-])c3)C2)c1 ZINC000456944071 433901503 /nfs/dbraw/zinc/90/15/03/433901503.db2.gz NNKSPKREUPFAAN-WKILWMFISA-N -1 3 311.381 3.419 10 0 DGAEHM C[C@@H]1CN(C(=O)c2cccc([O-])c2)[C@H](C)CN1Cc1ccccc1 ZINC000357250731 433927083 /nfs/dbraw/zinc/92/70/83/433927083.db2.gz BMCPUYHNJTXLPZ-HZPDHXFCSA-N -1 3 324.424 3.127 10 0 DGAEHM CCO[C@H]1C[C@@H](N(C)C(=O)c2cccc([O-])c2)C1(CC)CC ZINC000357306593 433946276 /nfs/dbraw/zinc/94/62/76/433946276.db2.gz KWNBLUGDSMOIHU-CVEARBPZSA-N -1 3 305.418 3.448 10 0 DGAEHM O=C(N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1cccc([O-])c1 ZINC000357349470 433963387 /nfs/dbraw/zinc/96/33/87/433963387.db2.gz SHGMTTCYQRTQRR-IRXDYDNUSA-N -1 3 315.344 3.181 10 0 DGAEHM COC(=O)C(C)(C)c1ccc(NC(=O)c2cccc([O-])c2)cc1 ZINC000357369507 433976162 /nfs/dbraw/zinc/97/61/62/433976162.db2.gz SIULDONPRFIRSW-UHFFFAOYSA-N -1 3 313.353 3.095 10 0 DGAEHM CCC[C@@H](CC(C)C)C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000450112878 433976693 /nfs/dbraw/zinc/97/66/93/433976693.db2.gz MZESNTFALGUVOK-AWEZNQCLSA-N -1 3 315.421 3.191 10 0 DGAEHM CCC[C@@H](CC(C)C)C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000450112878 433976697 /nfs/dbraw/zinc/97/66/97/433976697.db2.gz MZESNTFALGUVOK-AWEZNQCLSA-N -1 3 315.421 3.191 10 0 DGAEHM COC[C@@H](NC(=O)c1ccc(C)c(C)c1[O-])c1ccc(F)cc1 ZINC000436575262 434014340 /nfs/dbraw/zinc/01/43/40/434014340.db2.gz NHIKRGRINPUHHA-MRXNPFEDSA-N -1 3 317.360 3.266 10 0 DGAEHM Cc1cccnc1CCNCc1cccc([O-])c1Br ZINC000404906723 434526765 /nfs/dbraw/zinc/52/67/65/434526765.db2.gz DBEWGMWPYTUPTH-UHFFFAOYSA-N -1 3 321.218 3.190 10 0 DGAEHM C[C@@H]1CCCCCN1C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000408150194 434545381 /nfs/dbraw/zinc/54/53/81/434545381.db2.gz PEJXRBKTOUNWJU-SNVBAGLBSA-N -1 3 320.339 3.211 10 0 DGAEHM CC[C@H](CC1CCCC1)C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000527208376 295083494 /nfs/dbraw/zinc/08/34/94/295083494.db2.gz DRXBCNAYGPKICC-UKRRQHHQSA-N -1 3 305.422 3.228 10 0 DGAEHM CCSc1ccccc1C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000527209418 295083618 /nfs/dbraw/zinc/08/36/18/295083618.db2.gz SLSNIXCKMWKOTL-ZDUSSCGKSA-N -1 3 317.414 3.047 10 0 DGAEHM CCc1cc(I)c([O-])cc1OC(F)F ZINC000575654491 435038097 /nfs/dbraw/zinc/03/80/97/435038097.db2.gz FRZUKFGZPWOUEC-UHFFFAOYSA-N -1 3 314.069 3.161 10 0 DGAEHM CCc1c([O-])c(I)ccc1OC(F)F ZINC000575656211 435039669 /nfs/dbraw/zinc/03/96/69/435039669.db2.gz QDEDUGNGEMIPDT-UHFFFAOYSA-N -1 3 314.069 3.161 10 0 DGAEHM CCc1ccc([O-])c(C(=O)N[C@H](COC)c2ccc(F)cc2)c1 ZINC000560628257 435186611 /nfs/dbraw/zinc/18/66/11/435186611.db2.gz RJEQOQFVSFKVSG-MRXNPFEDSA-N -1 3 317.360 3.211 10 0 DGAEHM CC(=O)c1cccc(NC(=O)c2oc(CC(C)C)nc2C)c1[O-] ZINC000560551798 435178600 /nfs/dbraw/zinc/17/86/00/435178600.db2.gz HGMYOAKCYXNITL-UHFFFAOYSA-N -1 3 316.357 3.342 10 0 DGAEHM O=C(c1cc([O-])c2ccccc2c1)N1CC[C@H]2OCCC[C@H]2C1 ZINC000376431488 312948450 /nfs/dbraw/zinc/94/84/50/312948450.db2.gz BIOXQZDFQCYDCM-KBXCAEBGSA-N -1 3 311.381 3.187 10 0 DGAEHM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1Cc1ncc(-c2ccccc2)o1 ZINC000530180331 313335523 /nfs/dbraw/zinc/33/55/23/313335523.db2.gz XSVSFGBKWQPMBW-CHWSQXEVSA-N -1 3 314.385 3.415 10 0 DGAEHM C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1cccc2[n-]nnc21 ZINC000182703850 323309810 /nfs/dbraw/zinc/30/98/10/323309810.db2.gz HKHQFJOYRBQCMA-JTQLQIEISA-N -1 3 314.776 3.445 10 0 DGAEHM C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1cccc2nn[n-]c21 ZINC000182703850 323309812 /nfs/dbraw/zinc/30/98/12/323309812.db2.gz HKHQFJOYRBQCMA-JTQLQIEISA-N -1 3 314.776 3.445 10 0 DGAEHM C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1cccc2n[n-]nc21 ZINC000182703850 323309815 /nfs/dbraw/zinc/30/98/15/323309815.db2.gz HKHQFJOYRBQCMA-JTQLQIEISA-N -1 3 314.776 3.445 10 0 DGAEHM Cc1cccc(C(C)(C)NC(=O)c2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000579373276 323860247 /nfs/dbraw/zinc/86/02/47/323860247.db2.gz YLDPFJDPFLYTCK-UHFFFAOYSA-N -1 3 311.385 3.033 10 0 DGAEHM O=C([N-]C(=O)Oc1ccccc1)NC(=S)Cc1ccccc1 ZINC000584600837 337370851 /nfs/dbraw/zinc/37/08/51/337370851.db2.gz BHXPTXMEZTXJAW-UHFFFAOYSA-N -1 3 314.366 3.055 10 0 DGAEHM O=S(=O)([N-]c1ccncc1F)c1cccc2ccccc21 ZINC000180165780 534871637 /nfs/dbraw/zinc/87/16/37/534871637.db2.gz AXWMFECNSGUQTK-UHFFFAOYSA-N -1 3 302.330 3.175 10 0 DGAEHM CC(=O)Nc1cccc(NC(=O)c2ccc3c(c2[O-])CCCC3)c1 ZINC000184782794 527069407 /nfs/dbraw/zinc/06/94/07/527069407.db2.gz GDNUGSQWJTYOFF-UHFFFAOYSA-N -1 3 324.380 3.482 10 0 DGAEHM CC(=O)c1ccc(C(=O)NCc2ccc(C3CC3)cc2)cc1[O-] ZINC000412282429 527258294 /nfs/dbraw/zinc/25/82/94/527258294.db2.gz BFCJQWVAEOQXBE-UHFFFAOYSA-N -1 3 309.365 3.402 10 0 DGAEHM Cc1n[nH]c(C)c1[N-]S(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000209070580 622635681 /nfs/dbraw/zinc/63/56/81/622635681.db2.gz HYKXPRLDXDBJPS-FPLPWBNLSA-N -1 3 311.794 3.093 10 0 DGAEHM CC(C)[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccnc1Cl ZINC000096811231 656939118 /nfs/dbraw/zinc/93/91/18/656939118.db2.gz SUXGCIBWHJUREN-NWDGAFQWSA-N -1 3 316.854 3.228 10 0 DGAEHM CCCOc1ccc(CN2CC[C@@H](C(=O)[O-])C2)c(OCCC)c1 ZINC000263424372 658228883 /nfs/dbraw/zinc/22/88/83/658228883.db2.gz QADSEGKSBGAXHY-OAHLLOKOSA-N -1 3 321.417 3.171 10 0 DGAEHM CCc1nc(CN[C@@H](CCC(=O)[O-])Cc2ccccc2)cs1 ZINC000263505403 658258301 /nfs/dbraw/zinc/25/83/01/658258301.db2.gz LXRRLXDETDILCG-AWEZNQCLSA-N -1 3 318.442 3.271 10 0 DGAEHM C[C@H](c1ccccc1Cl)N1CCN(CCCCC(=O)[O-])CC1 ZINC000181582156 660008854 /nfs/dbraw/zinc/00/88/54/660008854.db2.gz WSMPJHZPDVKDOD-CQSZACIVSA-N -1 3 324.852 3.274 10 0 DGAEHM CCc1ccc(C(=O)Nc2cccc(N(C)C(C)=O)c2)c([O-])c1 ZINC000188181930 661919947 /nfs/dbraw/zinc/91/99/47/661919947.db2.gz SZXLKMRHNDUFJK-UHFFFAOYSA-N -1 3 312.369 3.190 10 0 DGAEHM CCCC[C@@H](CC)C[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000380694101 1177304754 /nfs/dbraw/zinc/30/47/54/1177304754.db2.gz MLGQMIIXTFGCLM-SNVBAGLBSA-N -1 3 322.833 3.369 10 0 DGAEHM COC(=O)c1cccc2[n-]c(NC(=O)C(C)=CC(C)(C)C)nc21 ZINC000588505125 1082499320 /nfs/dbraw/zinc/49/93/20/1082499320.db2.gz OBHZFCCHUUBFKQ-KTKRTIGZSA-N -1 3 315.373 3.280 10 0 DGAEHM CC1(C)CCC([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)CC1 ZINC000380485193 1108064531 /nfs/dbraw/zinc/06/45/31/1108064531.db2.gz BCEICLRKJQPSME-UHFFFAOYSA-N -1 3 320.817 3.121 10 0 DGAEHM C[C@H](O)C[C@@H]1CCCCN1C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000279762027 215124490 /nfs/dbraw/zinc/12/44/90/215124490.db2.gz MAPMDOSZBXDSSR-ZFWWWQNUSA-N -1 3 317.429 3.037 10 0 DGAEHM COc1cccc(C(=O)N2CCCC[C@@H]2c2nccs2)c1[O-] ZINC000173381404 198207921 /nfs/dbraw/zinc/20/79/21/198207921.db2.gz PMOGHCXCIOTHMB-GFCCVEGCSA-N -1 3 318.398 3.225 10 0 DGAEHM Cc1cc(N(C)CCc2ccncc2)c2ccc(C(=O)[O-])cc2n1 ZINC000004226521 181086146 /nfs/dbraw/zinc/08/61/46/181086146.db2.gz ZXRKDNFOZFIJJQ-UHFFFAOYSA-N -1 3 321.380 3.315 10 0 DGAEHM O=C(Nc1cccc([O-])c1F)c1cnc(-c2ccncc2)s1 ZINC000179148435 432046042 /nfs/dbraw/zinc/04/60/42/432046042.db2.gz YNDDHOPZDUVDCE-UHFFFAOYSA-N -1 3 315.329 3.302 10 0 DGAEHM C[C@@H]1CCN(C(=O)c2ccc(O)cc2[O-])[C@@H]1c1cccc(F)c1 ZINC000179532880 199051275 /nfs/dbraw/zinc/05/12/75/199051275.db2.gz JFFKKEPIRSCLGO-DIFFPNOSSA-N -1 3 315.344 3.460 10 0 DGAEHM CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccccc2[O-])C12CCCC2 ZINC000134121315 432074279 /nfs/dbraw/zinc/07/42/79/432074279.db2.gz QOHSBKZYGGEASG-HZPDHXFCSA-N -1 3 303.402 3.202 10 0 DGAEHM Cc1nc([C@@H]2CCCN2C(=O)c2ccc(C)cc2[O-])cs1 ZINC000187013605 200047693 /nfs/dbraw/zinc/04/76/93/200047693.db2.gz YAGMQVKKYJEVRX-AWEZNQCLSA-N -1 3 302.399 3.443 10 0 DGAEHM Cn1cc(C(=O)Nc2ccc([O-])cc2F)c2cc(F)ccc21 ZINC000435797862 238356114 /nfs/dbraw/zinc/35/61/14/238356114.db2.gz GAAIUTAHOIGMOV-UHFFFAOYSA-N -1 3 302.280 3.414 10 0 DGAEHM Cc1cccnc1C(F)(F)C(=O)[N-][C@@H]1CCOc2ccccc21 ZINC000195310104 201376725 /nfs/dbraw/zinc/37/67/25/201376725.db2.gz JWSICXVWLBNUKK-CYBMUJFWSA-N -1 3 318.323 3.122 10 0 DGAEHM Cc1cc([C@@H]2CN(C(=O)c3ccccc3[O-])CCO2)ccc1F ZINC000135268480 432108557 /nfs/dbraw/zinc/10/85/57/432108557.db2.gz YXZUXUOKBDJJRI-KRWDZBQOSA-N -1 3 315.344 3.053 10 0 DGAEHM Cc1cccc(C(=O)N2C[C@@H](c3ccccc3)OC[C@H]2C)c1[O-] ZINC000171209414 432112640 /nfs/dbraw/zinc/11/26/40/432112640.db2.gz KNVAIWAVRDPIOH-PBHICJAKSA-N -1 3 311.381 3.303 10 0 DGAEHM C[C@@H](CC(=O)Nc1cc(-c2nccn2C)[n-]n1)C1CCCCC1 ZINC000119380618 284142128 /nfs/dbraw/zinc/14/21/28/284142128.db2.gz AUWSQOUKNVFEHL-LBPRGKRZSA-N -1 3 315.421 3.355 10 0 DGAEHM C[C@@H](CC(=O)Nc1cc(-c2nccn2C)n[n-]1)C1CCCCC1 ZINC000119380618 284142133 /nfs/dbraw/zinc/14/21/33/284142133.db2.gz AUWSQOUKNVFEHL-LBPRGKRZSA-N -1 3 315.421 3.355 10 0 DGAEHM Cc1nc(-c2cccc(NC(=O)c3cccc(C)c3[O-])c2)no1 ZINC000121121525 284189142 /nfs/dbraw/zinc/18/91/42/284189142.db2.gz ORRYLUMVDYKJDY-UHFFFAOYSA-N -1 3 309.325 3.311 10 0 DGAEHM CC1(C)C[C@H](NC(=O)c2ccc(O)cc2[O-])c2ccccc2O1 ZINC000121391435 284195773 /nfs/dbraw/zinc/19/57/73/284195773.db2.gz OXGHMLZYENMDKQ-AWEZNQCLSA-N -1 3 313.353 3.130 10 0 DGAEHM O=C(Nc1ccc(F)cc1F)c1c[n-]c2c(F)cccc2c1=O ZINC000041055673 183160504 /nfs/dbraw/zinc/16/05/04/183160504.db2.gz UUOKWTQAPRNUBE-UHFFFAOYSA-N -1 3 318.254 3.198 10 0 DGAEHM O=C(Nc1ccc(F)cc1F)c1cnc2c(F)cccc2c1[O-] ZINC000041055673 183160506 /nfs/dbraw/zinc/16/05/06/183160506.db2.gz UUOKWTQAPRNUBE-UHFFFAOYSA-N -1 3 318.254 3.198 10 0 DGAEHM Cc1cc(S(=O)(=O)[N-]Cc2cccs2)c(Cl)cc1F ZINC000153798043 284692718 /nfs/dbraw/zinc/69/27/18/284692718.db2.gz ZKOQZCHBKXHPKE-UHFFFAOYSA-N -1 3 319.810 3.328 10 0 DGAEHM CCN(Cc1ccc(F)cc1Br)C(C)(C)C(=O)[O-] ZINC000061176814 184164721 /nfs/dbraw/zinc/16/47/21/184164721.db2.gz ITHUEAXLKPEHFL-UHFFFAOYSA-N -1 3 318.186 3.273 10 0 DGAEHM Cc1ccc(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)cc1 ZINC000064343078 184294910 /nfs/dbraw/zinc/29/49/10/184294910.db2.gz LCHKCVSWZPMTQH-UHFFFAOYSA-N -1 3 319.364 3.306 10 0 DGAEHM Cc1cc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)c(Cl)cc1F ZINC000119698355 195019201 /nfs/dbraw/zinc/01/92/01/195019201.db2.gz OBIJDBWIWUDXFH-UHFFFAOYSA-N -1 3 322.649 3.177 10 0 DGAEHM Cc1cc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)c(Cl)cc1F ZINC000119698355 195019203 /nfs/dbraw/zinc/01/92/03/195019203.db2.gz OBIJDBWIWUDXFH-UHFFFAOYSA-N -1 3 322.649 3.177 10 0 DGAEHM O=C(/C=C\c1cncc([O-])c1)N1CCCC[C@H]1c1nccs1 ZINC000255722182 285176627 /nfs/dbraw/zinc/17/66/27/285176627.db2.gz USJPIEFSXJCWRQ-WSNITJDQSA-N -1 3 315.398 3.011 10 0 DGAEHM CC(C)n1c(CNC(=O)c2cccc([O-])c2)nc2ccccc21 ZINC000357284827 285701645 /nfs/dbraw/zinc/70/16/45/285701645.db2.gz FBLVFOJKUDMUBN-UHFFFAOYSA-N -1 3 309.369 3.253 10 0 DGAEHM O=C([O-])c1ccccc1[C@H]1CCN(Cc2ccccc2)CCO1 ZINC000616593750 400180506 /nfs/dbraw/zinc/18/05/06/400180506.db2.gz LORPNXLGHLBPNQ-GOSISDBHSA-N -1 3 311.381 3.348 10 0 DGAEHM CCc1ccc([C@H]2CCCCN2C(=O)c2ccc3n[n-]nc3c2)o1 ZINC000129439732 400527259 /nfs/dbraw/zinc/52/72/59/400527259.db2.gz BGYQAYXLLRHPTF-MRXNPFEDSA-N -1 3 324.384 3.481 10 0 DGAEHM CC(=O)C(=C(C)[O-])c1ccc(OC(C)C)c(Br)c1 ZINC000222900671 400955573 /nfs/dbraw/zinc/95/55/73/400955573.db2.gz OFVLHLHXVMNLGD-UHFFFAOYSA-N -1 3 313.191 3.498 10 0 DGAEHM CC(=O)c1ccc(C(=O)N(CCC2CC2)CC2CC2)cc1[O-] ZINC000620632693 401159588 /nfs/dbraw/zinc/15/95/88/401159588.db2.gz YMOGMBGICJOHGN-UHFFFAOYSA-N -1 3 301.386 3.247 10 0 DGAEHM CC(C)c1cc(C(=O)N2CC[C@H](C)[C@@H](O)C2)c([O-])c(C(C)C)c1 ZINC000089427011 401222550 /nfs/dbraw/zinc/22/25/50/401222550.db2.gz OBKWVUKYJNGSTL-GUYCJALGSA-N -1 3 319.445 3.482 10 0 DGAEHM CCc1ccc(C(=O)N2CCO[C@@H](c3ccc(C)o3)C2)c([O-])c1 ZINC000188555574 165126070 /nfs/dbraw/zinc/12/60/70/165126070.db2.gz PPGTVDUSLWQJGG-QGZVFWFLSA-N -1 3 315.369 3.070 10 0 DGAEHM C[C@@H]1SCCN(C(=O)c2ccc3c(c2[O-])CCCC3)[C@H]1C ZINC000182732956 432222837 /nfs/dbraw/zinc/22/28/37/432222837.db2.gz PBSJMXWAWWJOOF-RYUDHWBXSA-N -1 3 305.443 3.237 10 0 DGAEHM C[C@@H]1CCCN(Cc2ccc(Br)cc2)[C@@H]1C(=O)[O-] ZINC000235316319 287355151 /nfs/dbraw/zinc/35/51/51/287355151.db2.gz DYEWFHHCUUOJKQ-MFKMUULPSA-N -1 3 312.207 3.134 10 0 DGAEHM Cc1cc(C(=O)Nc2ccc([O-])cc2F)nn1-c1ccccc1 ZINC000183268291 228372176 /nfs/dbraw/zinc/37/21/76/228372176.db2.gz IGFUHRBPFGWNNL-UHFFFAOYSA-N -1 3 311.316 3.278 10 0 DGAEHM O=C(N[C@H](Cc1ccccc1)C(F)(F)F)c1cccc([O-])c1 ZINC000182822556 432233382 /nfs/dbraw/zinc/23/33/82/432233382.db2.gz YSUUZXHYXCJIOB-CQSZACIVSA-N -1 3 309.287 3.296 10 0 DGAEHM O=C(c1cccc([O-])c1)N1CCCC[C@@H]1c1noc(C2CC2)n1 ZINC000367985937 271107903 /nfs/dbraw/zinc/10/79/03/271107903.db2.gz XRGWGRGSQUEJMP-CQSZACIVSA-N -1 3 313.357 3.020 10 0 DGAEHM Cc1cccc([O-])c1NC(=O)CCc1ccc2c(c1)OCCO2 ZINC000183060256 432255036 /nfs/dbraw/zinc/25/50/36/432255036.db2.gz HXWUUPGCPZSCAN-UHFFFAOYSA-N -1 3 313.353 3.043 10 0 DGAEHM O=S(=O)([N-]C[C@@H]1C[C@H]1c1ccccc1)c1cc(F)cc(F)c1 ZINC000111358649 431215674 /nfs/dbraw/zinc/21/56/74/431215674.db2.gz USWGDJMPJUQOEE-LRDDRELGSA-N -1 3 323.364 3.047 10 0 DGAEHM COc1cc(CNc2cnccc2C)cc(Br)c1[O-] ZINC000071413487 431278345 /nfs/dbraw/zinc/27/83/45/431278345.db2.gz JHSKLDNSWVMWGP-UHFFFAOYSA-N -1 3 323.190 3.479 10 0 DGAEHM O=C(c1c[n-]c2ccccc2c1=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000114434516 431387089 /nfs/dbraw/zinc/38/70/89/431387089.db2.gz KWISRQXRUQTLHL-FQEVSTJZSA-N -1 3 322.408 3.491 10 0 DGAEHM O=C(c1ccccc1[O-])N1CCC(Oc2ccc(F)cc2)CC1 ZINC000115221406 431441845 /nfs/dbraw/zinc/44/18/45/431441845.db2.gz DWJYOEPEPPBDEZ-UHFFFAOYSA-N -1 3 315.344 3.215 10 0 DGAEHM C[C@H](NC(=O)c1ccccc1[O-])c1cccc(-n2ccnc2)c1 ZINC000075263456 431466315 /nfs/dbraw/zinc/46/63/15/431466315.db2.gz PMAIEVCNVBMYDK-ZDUSSCGKSA-N -1 3 307.353 3.069 10 0 DGAEHM COc1cccc(C(=O)N2CC=C(c3cccs3)CC2)c1[O-] ZINC000117723111 431577498 /nfs/dbraw/zinc/57/74/98/431577498.db2.gz BBVHSOWPTTWBGV-UHFFFAOYSA-N -1 3 315.394 3.392 10 0 DGAEHM CCCCCc1nnc([N-]C(=O)c2ccc(COC)o2)s1 ZINC000119358246 431682444 /nfs/dbraw/zinc/68/24/44/431682444.db2.gz BGSZLZZCORCRRQ-UHFFFAOYSA-N -1 3 309.391 3.263 10 0 DGAEHM CC(C)Oc1cccnc1C(=O)[N-]c1nnc(C(C)(C)C)s1 ZINC000079434682 431723149 /nfs/dbraw/zinc/72/31/49/431723149.db2.gz ZHLDSZGPLUOLSX-UHFFFAOYSA-N -1 3 320.418 3.270 10 0 DGAEHM COc1ccc2c(=O)[n-]c(-c3cc4ccccc4o3)nc2c1OC ZINC000045817573 431890261 /nfs/dbraw/zinc/89/02/61/431890261.db2.gz LPNMGCPAGKOWNY-UHFFFAOYSA-N -1 3 322.320 3.354 10 0 DGAEHM CCC(=CC(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1)CC ZINC000124381102 431892460 /nfs/dbraw/zinc/89/24/60/431892460.db2.gz XICBKSZLHJFSBL-UHFFFAOYSA-N -1 3 311.385 3.430 10 0 DGAEHM O=S(=O)([N-][C@H](c1ccco1)c1ccccc1)c1cccs1 ZINC000052782351 431958435 /nfs/dbraw/zinc/95/84/35/431958435.db2.gz BKNQZHTURFUXTN-HNNXBMFYSA-N -1 3 319.407 3.409 10 0 DGAEHM CC1(C)CCCN[C@@H]1C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000232830896 280993307 /nfs/dbraw/zinc/99/33/07/280993307.db2.gz NDTKIUBSEFCNCC-GFCCVEGCSA-N -1 3 317.216 3.416 10 0 DGAEHM Cc1cccc(C(=O)N2CC3(CCOCC3)c3ccccc32)c1[O-] ZINC000189855618 281189875 /nfs/dbraw/zinc/18/98/75/281189875.db2.gz WHNTZHBYHVOCKR-UHFFFAOYSA-N -1 3 323.392 3.409 10 0 DGAEHM C[C@H]1CN(C(=O)c2ccccc2[O-])C[C@H](c2ccc(F)cc2)O1 ZINC000173524865 432284382 /nfs/dbraw/zinc/28/43/82/432284382.db2.gz IVDFHVWDAWSGJV-YVEFUNNKSA-N -1 3 315.344 3.134 10 0 DGAEHM CCNc1ccc(Cl)cc1NC(=O)c1ccc2n[n-]nc2c1 ZINC000183149422 432262991 /nfs/dbraw/zinc/26/29/91/432262991.db2.gz TYWJTZYJQBEHRT-UHFFFAOYSA-N -1 3 315.764 3.295 10 0 DGAEHM Cc1ccc(C(=O)NCc2ncc(-c3ccccc3)cn2)c([O-])c1 ZINC000183907967 432333220 /nfs/dbraw/zinc/33/32/20/432333220.db2.gz DPORRDPOXSTTJT-UHFFFAOYSA-N -1 3 319.364 3.088 10 0 DGAEHM C[C@@H]1CCN(C(=O)c2ccc3n[n-]nc3c2)[C@@H]1c1cccc(F)c1 ZINC000174434802 432347787 /nfs/dbraw/zinc/34/77/87/432347787.db2.gz DSKCXXQYEUIADE-DIFFPNOSSA-N -1 3 324.359 3.320 10 0 DGAEHM CC[C@@H]1CN(c2ccccc2)CCN1C(=O)c1cccc([O-])c1 ZINC000184274239 432372517 /nfs/dbraw/zinc/37/25/17/432372517.db2.gz LZXUXTLVUGGECN-MRXNPFEDSA-N -1 3 310.397 3.133 10 0 DGAEHM Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)c1ccccc1[O-] ZINC000153404850 432407316 /nfs/dbraw/zinc/40/73/16/432407316.db2.gz KGPBRBLMJXTNMF-LLVKDONJSA-N -1 3 301.390 3.143 10 0 DGAEHM Cc1cc(=O)[n-]c([C@@H](C)N(C)Cc2ccc(F)cc2Cl)n1 ZINC000192581026 432389301 /nfs/dbraw/zinc/38/93/01/432389301.db2.gz NKDCBOHKMSSJPT-SNVBAGLBSA-N -1 3 309.772 3.476 10 0 DGAEHM CC(C)C[C@@H](C)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000184882071 432441880 /nfs/dbraw/zinc/44/18/80/432441880.db2.gz KDBQBMDUHLUACL-SNVBAGLBSA-N -1 3 314.223 3.453 10 0 DGAEHM CCCCCc1nnc([N-]C(=O)c2ncccc2OCC)s1 ZINC000176150427 432497356 /nfs/dbraw/zinc/49/73/56/432497356.db2.gz ITDUZDOWWSPRPZ-UHFFFAOYSA-N -1 3 320.418 3.317 10 0 DGAEHM C[C@@H](C(=O)[O-])N(Cc1ccccc1OCC(F)(F)F)C1CC1 ZINC000263050385 432515459 /nfs/dbraw/zinc/51/54/59/432515459.db2.gz DJWKFOXOBFKXEB-JTQLQIEISA-N -1 3 317.307 3.065 10 0 DGAEHM Cc1cc(S(=O)(=O)[N-]Cc2ccsc2)c(Cl)cc1F ZINC000177519826 432633352 /nfs/dbraw/zinc/63/33/52/432633352.db2.gz LHZNVSQVGKLCLI-UHFFFAOYSA-N -1 3 319.810 3.328 10 0 DGAEHM COc1cccc(Cl)c1CC(=O)Nc1ccc([O-])cc1F ZINC000159327986 432680344 /nfs/dbraw/zinc/68/03/44/432680344.db2.gz ZEBLYOKUNIHKRI-UHFFFAOYSA-N -1 3 309.724 3.375 10 0 DGAEHM CC(=O)c1ccc(C(=O)N[C@@H](C)CCc2ccc(C)o2)cc1[O-] ZINC000412146147 433070639 /nfs/dbraw/zinc/07/06/39/433070639.db2.gz KFLNITBXDMFREM-NSHDSACASA-N -1 3 315.369 3.247 10 0 DGAEHM CC(=O)N(C)c1ccc(C(=O)Nc2ccc(Cl)cc2[O-])cc1 ZINC000426988405 433638829 /nfs/dbraw/zinc/63/88/29/433638829.db2.gz AMHZDNDBYXAZMS-UHFFFAOYSA-N -1 3 318.760 3.281 10 0 DGAEHM COc1cccc(-c2noc([N-]Cc3nc(C)sc3C)n2)c1 ZINC000301850754 433758330 /nfs/dbraw/zinc/75/83/30/433758330.db2.gz WSGCHVZXFOPTPE-UHFFFAOYSA-N -1 3 316.386 3.431 10 0 DGAEHM Cc1ccc(-c2nc(CNC(=O)c3cccc([O-])c3)co2)cc1 ZINC000357377141 433979492 /nfs/dbraw/zinc/97/94/92/433979492.db2.gz QPVZFJWJQJACAG-UHFFFAOYSA-N -1 3 308.337 3.286 10 0 DGAEHM [O-]c1ccccc1-c1nc(CSc2cccc(O)c2)no1 ZINC000363873698 434171660 /nfs/dbraw/zinc/17/16/60/434171660.db2.gz DXRUXMVPEBTYPR-UHFFFAOYSA-N -1 3 300.339 3.440 10 0 DGAEHM CCc1ccc(C(=O)N2CC[C@H](C(F)(F)F)[C@H]2C)c([O-])c1 ZINC000436988074 434193276 /nfs/dbraw/zinc/19/32/76/434193276.db2.gz JNZNIBXPMHVJIO-SKDRFNHKSA-N -1 3 301.308 3.368 10 0 DGAEHM COc1cc(CCNC(=O)c2cccc([O-])c2)ccc1Cl ZINC000360842580 434710380 /nfs/dbraw/zinc/71/03/80/434710380.db2.gz OSBFJZPNCVBBPV-UHFFFAOYSA-N -1 3 305.761 3.027 10 0 DGAEHM COc1ccc(F)c([N-]C(=O)c2cc(-c3ccccn3)no2)c1 ZINC000446457400 434862322 /nfs/dbraw/zinc/86/23/22/434862322.db2.gz LXSDMHPPXPQQRO-UHFFFAOYSA-N -1 3 313.288 3.137 10 0 DGAEHM CCc1cc(I)c([O-])c(OC(F)F)c1 ZINC000575654347 435038952 /nfs/dbraw/zinc/03/89/52/435038952.db2.gz BFSSPBWBFFUFPC-UHFFFAOYSA-N -1 3 314.069 3.161 10 0 DGAEHM CCc1ccc([O-])c(C(=O)N(C)CCc2ccc(F)cc2)c1 ZINC000132877883 312653488 /nfs/dbraw/zinc/65/34/88/312653488.db2.gz LHEVALCKRQRJHS-UHFFFAOYSA-N -1 3 301.361 3.408 10 0 DGAEHM Cc1noc([C@@H]2CCCN2C(=O)c2cc([O-])c3ccccc3c2)n1 ZINC000561468550 314970269 /nfs/dbraw/zinc/97/02/69/314970269.db2.gz XTGBVQLQVRLHTF-HNNXBMFYSA-N -1 3 323.352 3.214 10 0 DGAEHM CCCCCNC(=O)c1cc(Cl)c(C(F)(F)F)[n-]c1=O ZINC000584632230 337377201 /nfs/dbraw/zinc/37/72/01/337377201.db2.gz GPBALGHZIRQOMO-UHFFFAOYSA-N -1 3 310.703 3.379 10 0 DGAEHM CC(C)[C@H](O)C(C)(C)CNC(=O)c1cc([O-])c2ccccc2c1 ZINC000472424206 546902397 /nfs/dbraw/zinc/90/23/97/546902397.db2.gz HYXYTPGPALXXGU-KRWDZBQOSA-N -1 3 315.413 3.318 10 0 DGAEHM CO[C@@H]1[C@@H](C)[C@@H](NC(=O)c2cc([O-])c3ccccc3c2)C1(C)C ZINC000526921848 546968658 /nfs/dbraw/zinc/96/86/58/546968658.db2.gz MGAREMZPHGNDRQ-YMRXKLBXSA-N -1 3 313.397 3.335 10 0 DGAEHM O=C(NC1Cc2ccccc2C1)c1cc([O-])c2ccccc2c1 ZINC000527463546 546970700 /nfs/dbraw/zinc/97/07/00/546970700.db2.gz LKYIDWIERUFPHY-UHFFFAOYSA-N -1 3 303.361 3.443 10 0 DGAEHM Cc1ccccc1[C@@H](CO)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000527461598 546970992 /nfs/dbraw/zinc/97/09/92/546970992.db2.gz WGGUORTZVXMSGJ-GOSISDBHSA-N -1 3 321.376 3.317 10 0 DGAEHM Cc1cc(O)cc2cc3c(c(O)c12)C(=O)c1c(O)cc([O-])cc1C3 ZINC000004654705 560199140 /nfs/dbraw/zinc/19/91/40/560199140.db2.gz QZJGAJSUXRIADY-UHFFFAOYSA-N -1 3 322.316 3.106 10 0 in-vitro DGAEHM O=C(CCC1CCCCC1)[N-]OCc1ccc2c(c1)OCCO2 ZINC000733998322 574646191 /nfs/dbraw/zinc/64/61/91/574646191.db2.gz SHVJDQATTILIMY-UHFFFAOYSA-N -1 3 319.401 3.366 10 0 DGAEHM Cc1ccc(O)c([N-]S(=O)(=O)/C=C\c2ccc(F)cc2)c1 ZINC000255137864 655609117 /nfs/dbraw/zinc/60/91/17/655609117.db2.gz BYGHTSRCEFXBNH-HJWRWDBZSA-N -1 3 307.346 3.252 10 0 DGAEHM Cc1ccc(CC(=O)[N-]O[C@H](C)c2nc(C(C)(C)C)no2)cc1 ZINC000178160700 655716112 /nfs/dbraw/zinc/71/61/12/655716112.db2.gz JNDMCDUBTCIDOD-GFCCVEGCSA-N -1 3 317.389 3.027 10 0 DGAEHM O=C(NCC1C[C@H]2CC[C@@H](C1)S2)c1cc([O-])ccc1Cl ZINC000716008024 661218392 /nfs/dbraw/zinc/21/83/92/661218392.db2.gz SQVIKSKIJKITPC-CLYYMRHHSA-N -1 3 311.834 3.450 10 0 DGAEHM CCOc1ccccc1CCC(=O)[N-]OCc1ccc(F)cc1 ZINC000184248533 656117648 /nfs/dbraw/zinc/11/76/48/656117648.db2.gz OWXNUQTWVLMCOH-UHFFFAOYSA-N -1 3 317.360 3.405 10 0 DGAEHM C[C@@H]1C[C@@H](C(=O)[O-])CN(Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000263113198 658140362 /nfs/dbraw/zinc/14/03/62/658140362.db2.gz BVZLYLFBJLCMJT-DGCLKSJQSA-N -1 3 318.348 3.023 10 0 DGAEHM Cc1ccc(CC(=O)[N-]OCc2nc(C)c3ccccc3n2)cc1 ZINC000193601837 662141619 /nfs/dbraw/zinc/14/16/19/662141619.db2.gz SNIYICPDHNZGPT-UHFFFAOYSA-N -1 3 321.380 3.037 10 0 DGAEHM Cc1ccc([C@H](C)N/C=C2/C(=O)[N-]C(=O)c3ccccc32)cc1F ZINC000086962771 662221702 /nfs/dbraw/zinc/22/17/02/662221702.db2.gz SCYYCVQTODVIQY-SEJMYLSOSA-N -1 3 324.355 3.096 10 0 DGAEHM CC(C)CCC[C@@H](C)[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000380512815 1197704267 /nfs/dbraw/zinc/70/42/67/1197704267.db2.gz GWTFRIMZAFKSFZ-SNVBAGLBSA-N -1 3 322.833 3.367 10 0 DGAEHM COC(=O)c1ccccc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000170571854 1203836280 /nfs/dbraw/zinc/83/62/80/1203836280.db2.gz CRLMKMNGBHCLCU-UHFFFAOYSA-N -1 3 305.717 3.085 10 0 DGAEHM O=C(Nc1ccc(Cl)cc1[O-])[C@H]1CC(=O)Nc2ccccc21 ZINC000179641369 1204317788 /nfs/dbraw/zinc/31/77/88/1204317788.db2.gz DDVHMEUOEPNKGG-NSHDSACASA-N -1 3 316.744 3.110 10 0 DGAEHM CC(C)(C)Oc1ccccc1CNC(=O)c1ccc(O)cc1[O-] ZINC000586737655 1108099224 /nfs/dbraw/zinc/09/92/24/1108099224.db2.gz SHQCLBMWVQWRQP-UHFFFAOYSA-N -1 3 315.369 3.205 10 0 DGAEHM O=S(=O)([N-]C[C@H]1C[C@H]1c1ccccc1)c1ccc(F)c(F)c1 ZINC000111358155 185587191 /nfs/dbraw/zinc/58/71/91/185587191.db2.gz UMMODPOWXRQITL-OCCSQVGLSA-N -1 3 323.364 3.047 10 0 DGAEHM O=S(=O)([N-]C[C@H]1C[C@H]1c1ccccc1)c1cc(F)cc(F)c1 ZINC000111358645 185587878 /nfs/dbraw/zinc/58/78/78/185587878.db2.gz USWGDJMPJUQOEE-WBMJQRKESA-N -1 3 323.364 3.047 10 0 DGAEHM Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2cc(C)sc2C)s1 ZINC000175628605 186181772 /nfs/dbraw/zinc/18/17/72/186181772.db2.gz GGKBGXKPOKCDQP-SECBINFHSA-N -1 3 316.473 3.169 10 0 DGAEHM CN(Cc1ccc(F)cc1Cl)C(=O)c1ccc2n[n-]nc2c1 ZINC000107263794 432029046 /nfs/dbraw/zinc/02/90/46/432029046.db2.gz KLCFSQCCMBNSML-UHFFFAOYSA-N -1 3 318.739 3.023 10 0 DGAEHM O=C(CC1CCC(C(F)(F)F)CC1)[N-]OCc1cccnc1 ZINC000182110959 199388192 /nfs/dbraw/zinc/38/81/92/199388192.db2.gz RCTUHZXYRHPCMP-UHFFFAOYSA-N -1 3 316.323 3.388 10 0 DGAEHM COc1ccc(-c2nc(-c3cccc(OC)c3)cc(=O)[n-]2)cc1 ZINC000073696327 191342485 /nfs/dbraw/zinc/34/24/85/191342485.db2.gz CAOGGYFXVNMLQZ-UHFFFAOYSA-N -1 3 308.337 3.121 10 0 DGAEHM CC[C@H]([N-]S(=O)(=O)c1cc(C)cc(F)c1)c1nccs1 ZINC000080759926 192188620 /nfs/dbraw/zinc/18/86/20/192188620.db2.gz YJBPPUKMHOADNX-LBPRGKRZSA-N -1 3 314.407 3.020 10 0 DGAEHM Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1c(C)cccc1[O-] ZINC000179561662 432062754 /nfs/dbraw/zinc/06/27/54/432062754.db2.gz AQNHXWNRZBQJLZ-UHFFFAOYSA-N -1 3 315.417 3.351 10 0 DGAEHM O=C(Nc1nnc(-c2ccccn2)[n-]1)c1cccc2ccccc21 ZINC000171024743 432096536 /nfs/dbraw/zinc/09/65/36/432096536.db2.gz PKXJGBCMPCDGQN-UHFFFAOYSA-N -1 3 315.336 3.272 10 0 DGAEHM O=C(Nc1nc(-c2ccccn2)n[n-]1)c1cccc2ccccc21 ZINC000171024743 432096541 /nfs/dbraw/zinc/09/65/41/432096541.db2.gz PKXJGBCMPCDGQN-UHFFFAOYSA-N -1 3 315.336 3.272 10 0 DGAEHM O=C(Nc1n[n-]c(-c2ccccn2)n1)c1cccc2ccccc21 ZINC000171024743 432096544 /nfs/dbraw/zinc/09/65/44/432096544.db2.gz PKXJGBCMPCDGQN-UHFFFAOYSA-N -1 3 315.336 3.272 10 0 DGAEHM Cc1csc(C2CCN(C(=O)c3cccc(C)c3[O-])CC2)n1 ZINC000171275214 432119600 /nfs/dbraw/zinc/11/96/00/432119600.db2.gz NILSUMJFABWYCX-UHFFFAOYSA-N -1 3 316.426 3.485 10 0 DGAEHM CC[C@@H](c1ccncc1)N(C)C(=O)c1cccc(OC)c1[O-] ZINC000128415945 284374753 /nfs/dbraw/zinc/37/47/53/284374753.db2.gz AWHQKRKMURLOKK-AWEZNQCLSA-N -1 3 300.358 3.019 10 0 DGAEHM COc1cc(CNCc2ccco2)cc(Br)c1[O-] ZINC000022142646 182310736 /nfs/dbraw/zinc/31/07/36/182310736.db2.gz FZOWICHRRPASJR-UHFFFAOYSA-N -1 3 312.163 3.046 10 0 DGAEHM Cc1ccc(CN(C)Cc2cc(=O)oc3c(C)c([O-])ccc23)o1 ZINC000023820094 182368824 /nfs/dbraw/zinc/36/88/24/182368824.db2.gz WVYHLLWXPQQNOG-UHFFFAOYSA-N -1 3 313.353 3.340 10 0 DGAEHM C[C@@H](NC(=O)c1ccccc1[O-])c1ccccc1-n1cccn1 ZINC000150904275 284541073 /nfs/dbraw/zinc/54/10/73/284541073.db2.gz UXFCFLDAPXEMQH-CYBMUJFWSA-N -1 3 307.353 3.069 10 0 DGAEHM CCN(CC)c1ncnc([N-]c2nc3ccccc3s2)c1N ZINC000040723208 183124766 /nfs/dbraw/zinc/12/47/66/183124766.db2.gz MEPONRNGZHWINX-UHFFFAOYSA-N -1 3 314.418 3.258 10 0 DGAEHM O=c1c(Br)c[n-]c2c(OC(F)(F)F)cccc12 ZINC000041702077 183217958 /nfs/dbraw/zinc/21/79/58/183217958.db2.gz KIQKPGWFNGLLFE-UHFFFAOYSA-N -1 3 308.053 3.189 10 0 DGAEHM COc1cccc(-c2cc(=O)[n-]c(Nc3ccccc3F)n2)c1 ZINC000057341612 184034082 /nfs/dbraw/zinc/03/40/82/184034082.db2.gz JYQQXFCXJCGUKQ-UHFFFAOYSA-N -1 3 311.316 3.328 10 0 DGAEHM O=c1cc(C(F)(F)F)nc(N2CC=C(c3ccccc3)CC2)[n-]1 ZINC000057342407 184034280 /nfs/dbraw/zinc/03/42/80/184034280.db2.gz WNOCTOFYGFCDKQ-UHFFFAOYSA-N -1 3 321.302 3.082 10 0 DGAEHM Cc1ccc(Nc2nc3c(c(=O)[n-]2)CCC3)c(Br)c1 ZINC000057342981 184034497 /nfs/dbraw/zinc/03/44/97/184034497.db2.gz GPTQHLFSOPSBND-UHFFFAOYSA-N -1 3 320.190 3.073 10 0 DGAEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cccc(F)c3)cc2)n1 ZINC000064342978 184294657 /nfs/dbraw/zinc/29/46/57/184294657.db2.gz UKUJSIDLTKBFAN-UHFFFAOYSA-N -1 3 323.327 3.137 10 0 DGAEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccccc3C)cc2)n1 ZINC000064343117 184294918 /nfs/dbraw/zinc/29/49/18/184294918.db2.gz LAKPCCNGVOQLIM-UHFFFAOYSA-N -1 3 319.364 3.306 10 0 DGAEHM COc1cccc([C@H]2C[C@@H]2C(=O)Nc2ccc([O-])cc2F)c1 ZINC000124354390 195632046 /nfs/dbraw/zinc/63/20/46/195632046.db2.gz DEJJHVQAJXUQGR-KGLIPLIRSA-N -1 3 301.317 3.282 10 0 DGAEHM COc1cc(C(=O)NCc2oc3ccccc3c2C)ccc1[O-] ZINC000357648541 285814915 /nfs/dbraw/zinc/81/49/15/285814915.db2.gz BJORIZKNENIPQT-UHFFFAOYSA-N -1 3 311.337 3.385 10 0 DGAEHM Cc1noc([C@@H]([N-]c2nc3ccccc3o2)C2CCOCC2)n1 ZINC000328608466 400182712 /nfs/dbraw/zinc/18/27/12/400182712.db2.gz ALXXVOFPZWWKRY-AWEZNQCLSA-N -1 3 314.345 3.099 10 0 DGAEHM O=C([O-])c1ccccc1[C@@H]1CCN(Cc2ccccc2)CCO1 ZINC000616664022 400196928 /nfs/dbraw/zinc/19/69/28/400196928.db2.gz LORPNXLGHLBPNQ-SFHVURJKSA-N -1 3 311.381 3.348 10 0 DGAEHM COc1ccc(C(=O)N[C@H](C)c2ccc(F)c(F)c2)c([O-])c1 ZINC000023547739 400210549 /nfs/dbraw/zinc/21/05/49/400210549.db2.gz SMABWPDKNPGLIK-SECBINFHSA-N -1 3 307.296 3.170 10 0 DGAEHM Cc1ccc(C(=O)N(C)Cc2cnn(-c3ccccc3)c2)c([O-])c1 ZINC000024190350 400217309 /nfs/dbraw/zinc/21/73/09/400217309.db2.gz LFMXWAMCVGJSTP-UHFFFAOYSA-N -1 3 321.380 3.159 10 0 DGAEHM Nc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2F)ccc1F ZINC000034957183 400386802 /nfs/dbraw/zinc/38/68/02/400386802.db2.gz WSVOZGLQXKDCRZ-UHFFFAOYSA-N -1 3 318.732 3.001 10 0 DGAEHM CCc1cc([O-])cc(OS(=O)(=O)c2cc(C)ccc2OC)c1 ZINC000036415901 400390326 /nfs/dbraw/zinc/39/03/26/400390326.db2.gz WPSBADBJTLDRMV-UHFFFAOYSA-N -1 3 322.382 3.039 10 0 DGAEHM CN(C)[C@@H](Cc1ccccc1)C(=O)Nc1cccc(Cl)c1[O-] ZINC000077012743 400685240 /nfs/dbraw/zinc/68/52/40/400685240.db2.gz YQQQLCYLFZPCTL-HNNXBMFYSA-N -1 3 318.804 3.157 10 0 DGAEHM Fc1ccc(Cn2ccc3cc(-c4nnn[n-]4)ccc32)cc1F ZINC000165347997 400751783 /nfs/dbraw/zinc/75/17/83/400751783.db2.gz ZFYHIQYLQIOYLV-UHFFFAOYSA-N -1 3 311.295 3.148 10 0 DGAEHM Fc1ccc(Cn2ccc3cc(-c4nn[n-]n4)ccc32)cc1F ZINC000165347997 400751790 /nfs/dbraw/zinc/75/17/90/400751790.db2.gz ZFYHIQYLQIOYLV-UHFFFAOYSA-N -1 3 311.295 3.148 10 0 DGAEHM CC(=O)c1ccc(C(=O)N2CC(C)(C)[C@@H]2c2ccco2)cc1[O-] ZINC000633796324 401111978 /nfs/dbraw/zinc/11/19/78/401111978.db2.gz MMBGDJMSZKTXOV-INIZCTEOSA-N -1 3 313.353 3.411 10 0 DGAEHM Cc1cccc([O-])c1C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000626122806 401305009 /nfs/dbraw/zinc/30/50/09/401305009.db2.gz LSWJRVSVBDCOBK-KRWDZBQOSA-N -1 3 324.424 3.047 10 0 DGAEHM CCc1nc(CN[C@H](CCC(=O)[O-])Cc2ccccc2)cs1 ZINC000263505404 165873261 /nfs/dbraw/zinc/87/32/61/165873261.db2.gz LXRRLXDETDILCG-CQSZACIVSA-N -1 3 318.442 3.271 10 0 DGAEHM CCc1cc(C(=O)N2CCC(c3nccs3)CC2)ccc1[O-] ZINC000365968835 287193327 /nfs/dbraw/zinc/19/33/27/287193327.db2.gz KVGCWVMCKYEKAD-UHFFFAOYSA-N -1 3 316.426 3.431 10 0 DGAEHM C[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1[O-])C1CCOCC1 ZINC000130892755 292643065 /nfs/dbraw/zinc/64/30/65/292643065.db2.gz WGXJVOOTSBWPQF-SECBINFHSA-N -1 3 317.307 3.412 10 0 DGAEHM Cc1cc([C@H]2CN(C(=O)c3cccc([O-])c3)CCO2)ccc1F ZINC000182956327 432245458 /nfs/dbraw/zinc/24/54/58/432245458.db2.gz HQBLQXZWWHAMAV-QGZVFWFLSA-N -1 3 315.344 3.053 10 0 DGAEHM Cc1cc(C)c2[n-]cc(C(=O)N3C[C@@H]4CCCC[C@H]4C3)c(=O)c2c1 ZINC000483336921 278666114 /nfs/dbraw/zinc/66/61/14/278666114.db2.gz NFQHEJLCZBHQRA-GJZGRUSLSA-N -1 3 324.424 3.407 10 0 DGAEHM Cc1cc(=O)[n-]c([C@H](C)N2CCc3c(Cl)cc(F)cc3C2)n1 ZINC000451163555 278737072 /nfs/dbraw/zinc/73/70/72/278737072.db2.gz RFBLYVYQMJDVER-JTQLQIEISA-N -1 3 321.783 3.402 10 0 DGAEHM Cc1cccc(C(=O)N2CCC[C@H](c3nccs3)C2)c1[O-] ZINC000114630720 431400865 /nfs/dbraw/zinc/40/08/65/431400865.db2.gz YYQXKUQBJLRPIC-LBPRGKRZSA-N -1 3 302.399 3.177 10 0 DGAEHM Cc1[nH]c2ccc(C(=O)[O-])cc2c(=O)c1CN1CCCC[C@@H]1C ZINC000008713952 431405256 /nfs/dbraw/zinc/40/52/56/431405256.db2.gz KQHZXSONNGYTAZ-NSHDSACASA-N -1 3 314.385 3.321 10 0 DGAEHM O=C(c1ccc(-c2ncon2)cc1)N1CCCc2cccc([O-])c21 ZINC000182906775 280177804 /nfs/dbraw/zinc/17/78/04/280177804.db2.gz OCRADVDTHLBKEX-UHFFFAOYSA-N -1 3 321.336 3.035 10 0 DGAEHM COc1ccc(C(=O)N2CC=C(c3cccs3)CC2)c([O-])c1 ZINC000117720354 431576903 /nfs/dbraw/zinc/57/69/03/431576903.db2.gz VJHQEBPNORXZCG-UHFFFAOYSA-N -1 3 315.394 3.392 10 0 DGAEHM COc1ccc([C@@H]2C[C@H](C)N(C(=O)c3ccccc3[O-])C2)cc1 ZINC000078187869 431648841 /nfs/dbraw/zinc/64/88/41/431648841.db2.gz MUWFMGSAUCOXON-DZGCQCFKSA-N -1 3 311.381 3.419 10 0 DGAEHM CCC[C@@H](C(=O)Nc1cc(-c2nccn2C)[n-]n1)c1ccccc1 ZINC000119353398 431681431 /nfs/dbraw/zinc/68/14/31/431681431.db2.gz SDVJRFSQCXVGBZ-CQSZACIVSA-N -1 3 323.400 3.333 10 0 DGAEHM CCC[C@@H](C(=O)Nc1cc(-c2nccn2C)n[n-]1)c1ccccc1 ZINC000119353398 431681433 /nfs/dbraw/zinc/68/14/33/431681433.db2.gz SDVJRFSQCXVGBZ-CQSZACIVSA-N -1 3 323.400 3.333 10 0 DGAEHM C[C@H]1C[C@H](N(C)C(=O)c2ccc3ccccc3c2[O-])CCN1C ZINC000124747473 431903274 /nfs/dbraw/zinc/90/32/74/431903274.db2.gz RAWDXUJWJCSLOY-DZGCQCFKSA-N -1 3 312.413 3.100 10 0 DGAEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C(C3CC3)C3CC3)cc2)n1 ZINC000127069174 431963596 /nfs/dbraw/zinc/96/35/96/431963596.db2.gz UVOUUHNPHYBCRK-UHFFFAOYSA-N -1 3 323.396 3.120 10 0 DGAEHM CC[C@@H](C)[C@H](C)C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000183422850 432293528 /nfs/dbraw/zinc/29/35/28/432293528.db2.gz YGDOQQJGCPAPSS-YPMHNXCESA-N -1 3 313.401 3.366 10 0 DGAEHM CC(C)(C)c1nnsc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000191961315 432318194 /nfs/dbraw/zinc/31/81/94/432318194.db2.gz YWUDPJQJBXPGJD-UHFFFAOYSA-N -1 3 311.794 3.447 10 0 DGAEHM CC1(C)C[C@@H](NC(=O)Cc2ccc([O-])cc2Cl)C(C)(C)O1 ZINC000183605144 432308261 /nfs/dbraw/zinc/30/82/61/432308261.db2.gz DPFZJIXCBYXUDO-CYBMUJFWSA-N -1 3 311.809 3.050 10 0 DGAEHM CC(C)c1ccc(C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c([O-])c1 ZINC000271429728 432393875 /nfs/dbraw/zinc/39/38/75/432393875.db2.gz PUXNJIFLGJBJEL-BEFAXECRSA-N -1 3 317.429 3.283 10 0 DGAEHM CSCc1cc(C(=O)NCc2ccc([O-])c(F)c2)ccc1F ZINC000175368341 432429456 /nfs/dbraw/zinc/42/94/56/432429456.db2.gz ZTJFOWKMWBZQEF-UHFFFAOYSA-N -1 3 323.364 3.463 10 0 DGAEHM CC(C)c1cnc(CN2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)s1 ZINC000263512246 432552229 /nfs/dbraw/zinc/55/22/29/432552229.db2.gz NSDWHNCJPWIPHN-AGIUHOORSA-N -1 3 308.447 3.484 10 0 DGAEHM O=C(NCc1nc2ccccc2n1C1CC1)c1ccccc1[O-] ZINC000186041233 432555156 /nfs/dbraw/zinc/55/51/56/432555156.db2.gz LARHSDUKIYUWMX-UHFFFAOYSA-N -1 3 307.353 3.007 10 0 DGAEHM Cc1ccc2c(CCNC(=O)c3cccc([O-])c3)cn(C)c2c1 ZINC000188436070 432725926 /nfs/dbraw/zinc/72/59/26/432725926.db2.gz FNYHNICQFHSLRP-UHFFFAOYSA-N -1 3 308.381 3.165 10 0 DGAEHM COc1cc(C)cc(N[C@H](C)C(=O)[N-]c2cc(C)no2)c1C ZINC000447170803 433170645 /nfs/dbraw/zinc/17/06/45/433170645.db2.gz YTNHFYIBNXTCSK-GFCCVEGCSA-N -1 3 303.362 3.048 10 0 DGAEHM C1C(N=c2nc(C3CCCCC3)[n-]s2)CC1N1CCCCC1 ZINC000420621624 433229046 /nfs/dbraw/zinc/22/90/46/433229046.db2.gz GGEMTUVEBNFCNQ-UHFFFAOYSA-N -1 3 320.506 3.437 10 0 DGAEHM O=C(/C=C/c1cncc([O-])c1)N1Cc2ccccc2C2(CCC2)C1 ZINC000376028585 433646911 /nfs/dbraw/zinc/64/69/11/433646911.db2.gz ICFCJJAFTLXNHU-VOTSOKGWSA-N -1 3 320.392 3.265 10 0 DGAEHM O=C(c1cccc([O-])c1)N1CCO[C@H](c2ccc(Cl)s2)C1 ZINC000371590631 293214338 /nfs/dbraw/zinc/21/43/38/293214338.db2.gz ZNKIHZAXVUJTLE-LBPRGKRZSA-N -1 3 323.801 3.321 10 0 DGAEHM CC(=O)Nc1cc(NC(=O)c2cccc([O-])c2)ccc1Cl ZINC000357367126 433971055 /nfs/dbraw/zinc/97/10/55/433971055.db2.gz PDWRQNDWUCRZBV-UHFFFAOYSA-N -1 3 304.733 3.256 10 0 DGAEHM O=C(c1cccc([O-])c1)N1CCC2(CC1)OCc1ccccc12 ZINC000378561368 293808890 /nfs/dbraw/zinc/80/88/90/293808890.db2.gz HZJOPHOAGUGNLY-UHFFFAOYSA-N -1 3 309.365 3.054 10 0 DGAEHM CC(C)c1ccc(C(=O)NCc2ccc3cc[nH]c3n2)c([O-])c1 ZINC000436597488 434029930 /nfs/dbraw/zinc/02/99/30/434029930.db2.gz VRQNFIBZBWOSJZ-UHFFFAOYSA-N -1 3 309.369 3.322 10 0 DGAEHM O=C([N-]c1cccc2ocnc21)c1cc(-c2cccnc2)on1 ZINC000357418058 434000964 /nfs/dbraw/zinc/00/09/64/434000964.db2.gz YOBOKYHSHNECSR-UHFFFAOYSA-N -1 3 306.281 3.130 10 0 DGAEHM CCOc1cccc(CCNC(=O)c2ccc([O-])c(CC)c2)c1 ZINC000436703701 434074671 /nfs/dbraw/zinc/07/46/71/434074671.db2.gz MQCIDSLATSRTPR-UHFFFAOYSA-N -1 3 313.397 3.326 10 0 DGAEHM O=C(c1cccs1)C1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000378566801 434221274 /nfs/dbraw/zinc/22/12/74/434221274.db2.gz SYHKOLFWXOOIFV-UHFFFAOYSA-N -1 3 315.394 3.189 10 0 DGAEHM CC(=O)N(C)c1ccccc1NC(=O)c1cc([O-])ccc1Cl ZINC000340505134 434167558 /nfs/dbraw/zinc/16/75/58/434167558.db2.gz HNMAEXIVMIRMSG-UHFFFAOYSA-N -1 3 318.760 3.281 10 0 DGAEHM CN(C)Cc1ccc(NC(=O)c2cccc([O-])c2)cc1Cl ZINC000357919918 434245537 /nfs/dbraw/zinc/24/55/37/434245537.db2.gz UXEMTZLNPLADMM-UHFFFAOYSA-N -1 3 304.777 3.360 10 0 DGAEHM CC(=O)c1[n-]c(=NC[C@H]2CC[C@@H](c3ccccc3)O2)sc1C ZINC000450533592 434251290 /nfs/dbraw/zinc/25/12/90/434251290.db2.gz VTTRYUGUYGCWSE-CABCVRRESA-N -1 3 316.426 3.408 10 0 DGAEHM C[C@@H](C(=O)[O-])[C@H](C)NCc1cc(Cl)ccc1Br ZINC000417607288 434462473 /nfs/dbraw/zinc/46/24/73/434462473.db2.gz GVVFBRIPRZEXBQ-SFYZADRCSA-N -1 3 320.614 3.301 10 0 DGAEHM Cc1[nH]c2c(cccc2C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)c1C ZINC000525967205 295046077 /nfs/dbraw/zinc/04/60/77/295046077.db2.gz VUMDPQAETKTQRS-HNNXBMFYSA-N -1 3 324.384 3.034 10 0 DGAEHM CC(=O)Nc1ccc([O-])c(C(=O)N2CC[C@]3(CC[C@@H](C)C3)C2)c1 ZINC000408409733 434572081 /nfs/dbraw/zinc/57/20/81/434572081.db2.gz CDSQQQOLMCLNAH-XIKOKIGWSA-N -1 3 316.401 3.003 10 0 DGAEHM COc1cccc(C(=O)N2CCC[C@]3(CC=CCC3)C2)c1[O-] ZINC000114557598 295284956 /nfs/dbraw/zinc/28/49/56/295284956.db2.gz UTFUTWQDRIRQQK-GOSISDBHSA-N -1 3 301.386 3.363 10 0 DGAEHM CC[C@](C)(CNCc1ncc(-c2ccccc2)s1)C(=O)[O-] ZINC000446157556 434852934 /nfs/dbraw/zinc/85/29/34/434852934.db2.gz RNRLCBCIZIQJQF-MRXNPFEDSA-N -1 3 304.415 3.401 10 0 DGAEHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1cccc(C2CCC2)c1 ZINC000524090323 434967976 /nfs/dbraw/zinc/96/79/76/434967976.db2.gz CEBZCEAMOXKGHM-MRXNPFEDSA-N -1 3 311.385 3.203 10 0 DGAEHM CCc1cc([O-])c(I)cc1OC(F)F ZINC000575654989 435038907 /nfs/dbraw/zinc/03/89/07/435038907.db2.gz JFNHPOHCIUFIPA-UHFFFAOYSA-N -1 3 314.069 3.161 10 0 DGAEHM C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)NCc1ccc([O-])c(F)c1 ZINC000471894079 435138421 /nfs/dbraw/zinc/13/84/21/435138421.db2.gz WPMUUOGIVITRLE-SCZZXKLOSA-N -1 3 320.286 3.014 10 0 DGAEHM COc1cc(C(=O)[N-]c2ccc(Cl)c3ccncc23)on1 ZINC000490624748 435668582 /nfs/dbraw/zinc/66/85/82/435668582.db2.gz IWEDYZHFYUQEMX-UHFFFAOYSA-N -1 3 303.705 3.137 10 0 DGAEHM CC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2c2ccsc2)c1[O-] ZINC000529387423 313183787 /nfs/dbraw/zinc/18/37/87/313183787.db2.gz LPYKZOPOTWQTGM-QWHCGFSZSA-N -1 3 301.367 3.399 10 0 DGAEHM O=C(Nc1ccc(Br)cc1[O-])c1cccc(O)c1 ZINC000543746747 314155522 /nfs/dbraw/zinc/15/55/22/314155522.db2.gz YPYYVMVWNVVTMQ-UHFFFAOYSA-N -1 3 308.131 3.113 10 0 DGAEHM CC(=O)c1ccc(-c2nc3ccc(F)cc3c(=O)[n-]2)cc1F ZINC000543754152 314156423 /nfs/dbraw/zinc/15/64/23/314156423.db2.gz BRVBMZVPSIERMI-UHFFFAOYSA-N -1 3 300.264 3.483 10 0 DGAEHM CC(=O)c1c(C)cc(C)c(CN2CC[C@@H](C)[C@@H](C(=O)[O-])C2)c1C ZINC000580893379 324050371 /nfs/dbraw/zinc/05/03/71/324050371.db2.gz XBUHIZYCDYDOOE-DIFFPNOSSA-N -1 3 317.429 3.357 10 0 DGAEHM CCC(C)(C)[C@H]1CCCN1C(=O)c1cc(F)cc2[n-]nnc21 ZINC000328649641 528599369 /nfs/dbraw/zinc/59/93/69/528599369.db2.gz IUCGGSHGYXZZCG-CYBMUJFWSA-N -1 3 304.369 3.138 10 0 DGAEHM CCC(C)(C)[C@H]1CCCN1C(=O)c1cc(F)cc2nn[n-]c21 ZINC000328649641 528599376 /nfs/dbraw/zinc/59/93/76/528599376.db2.gz IUCGGSHGYXZZCG-CYBMUJFWSA-N -1 3 304.369 3.138 10 0 DGAEHM CCC(C)(C)[C@H]1CCCN1C(=O)c1cc(F)cc2n[n-]nc21 ZINC000328649641 528599381 /nfs/dbraw/zinc/59/93/81/528599381.db2.gz IUCGGSHGYXZZCG-CYBMUJFWSA-N -1 3 304.369 3.138 10 0 DGAEHM COc1ccc(NC(=O)c2cn(C)c3ccc(F)cc23)c([O-])c1 ZINC000435831679 546822140 /nfs/dbraw/zinc/82/21/40/546822140.db2.gz UMCWNPFCKPFWMK-UHFFFAOYSA-N -1 3 314.316 3.284 10 0 DGAEHM Cc1c([C@H](C)NC(=O)c2cc([O-])c3ccccc3c2)cnn1C ZINC000471711026 546901704 /nfs/dbraw/zinc/90/17/04/546901704.db2.gz FJWYDLACDRQIEE-NSHDSACASA-N -1 3 309.369 3.078 10 0 DGAEHM CC(C)[C@@H](O)C(C)(C)CNC(=O)c1cc([O-])c2ccccc2c1 ZINC000472424207 546902597 /nfs/dbraw/zinc/90/25/97/546902597.db2.gz HYXYTPGPALXXGU-QGZVFWFLSA-N -1 3 315.413 3.318 10 0 DGAEHM CN(C)c1ccc(NC(=O)c2cc([O-])c3ccccc3c2)nc1 ZINC000471900047 546902703 /nfs/dbraw/zinc/90/27/03/546902703.db2.gz DFDVLRWJWKCRAF-UHFFFAOYSA-N -1 3 307.353 3.259 10 0 DGAEHM O=C(N[C@@H]1COc2ccccc2C1)c1cc([O-])c2ccccc2c1 ZINC000526838673 546968670 /nfs/dbraw/zinc/96/86/70/546968670.db2.gz KLVMNFNUIUBDLZ-INIZCTEOSA-N -1 3 319.360 3.279 10 0 DGAEHM O=C(CCCc1ccccc1)[N-]OCCOc1ccc(F)cc1 ZINC000732803972 574583279 /nfs/dbraw/zinc/58/32/79/574583279.db2.gz BRAMIHPGOYDFAV-UHFFFAOYSA-N -1 3 317.360 3.275 10 0 DGAEHM [O-]c1ccc(Br)c(CN[C@@H]2CCCC2(F)F)c1 ZINC000398029829 575960183 /nfs/dbraw/zinc/96/01/83/575960183.db2.gz NAWGVSDYJGMUBB-LLVKDONJSA-N -1 3 306.150 3.432 10 0 DGAEHM C[C@@H](NCc1cscn1)c1cc(Br)ccc1[O-] ZINC000185246302 660211503 /nfs/dbraw/zinc/21/15/03/660211503.db2.gz TVPFOSJOZGTOFA-MRVPVSSYSA-N -1 3 313.220 3.462 10 0 DGAEHM CCc1ccc([O-])c(C(=O)Nc2cccc3c2OCC[C@H]3O)c1 ZINC000185367726 660219580 /nfs/dbraw/zinc/21/95/80/660219580.db2.gz MDWYHLNJFUUVPP-MRXNPFEDSA-N -1 3 313.353 3.023 10 0 DGAEHM [O-]c1ccc(CNCc2ncc(Br)s2)cc1F ZINC000714936769 661204732 /nfs/dbraw/zinc/20/47/32/661204732.db2.gz LYQMHJSOIZWBTO-UHFFFAOYSA-N -1 3 317.183 3.040 10 0 DGAEHM Cc1ccc([C@H](C)N/C=C2\C(=O)[N-]C(=O)c3ccccc32)cc1F ZINC000255893896 655958817 /nfs/dbraw/zinc/95/88/17/655958817.db2.gz SCYYCVQTODVIQY-KPENOIPVSA-N -1 3 324.355 3.096 10 0 DGAEHM C[C@H]1C[C@@H](C(=O)[O-])CN(Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000263113200 658140464 /nfs/dbraw/zinc/14/04/64/658140464.db2.gz BVZLYLFBJLCMJT-WCQYABFASA-N -1 3 318.348 3.023 10 0 DGAEHM CCCOc1ccc(CN2CC[C@H](C(=O)[O-])C2)c(OCCC)c1 ZINC000263424370 658228825 /nfs/dbraw/zinc/22/88/25/658228825.db2.gz QADSEGKSBGAXHY-HNNXBMFYSA-N -1 3 321.417 3.171 10 0 DGAEHM COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1cccc(Cl)c1[O-] ZINC000183387166 660109731 /nfs/dbraw/zinc/10/97/31/660109731.db2.gz JKVDQHVYHQISBL-CQDKDKBSSA-N -1 3 323.820 3.352 10 0 DGAEHM CCOc1ccccc1[N-]S(=O)(=O)/C=C\c1ccccc1 ZINC000215225111 661886894 /nfs/dbraw/zinc/88/68/94/661886894.db2.gz OTYXDLXEPXCOJO-SEYXRHQNSA-N -1 3 303.383 3.498 10 0 DGAEHM O=C(NC1(C2CC2)CCC1)c1cc([O-])cc(Br)c1 ZINC000717888032 662196050 /nfs/dbraw/zinc/19/60/50/662196050.db2.gz NBXMRFLLYUPNIM-UHFFFAOYSA-N -1 3 310.191 3.217 10 0 DGAEHM CC(C)C(C[N-]S(=O)(=O)c1cnc(Cl)c(F)c1)C(C)C ZINC000380672592 1177304430 /nfs/dbraw/zinc/30/44/30/1177304430.db2.gz XBBSQAJAYFFSPD-UHFFFAOYSA-N -1 3 322.833 3.081 10 0 DGAEHM O=S(=O)([N-]CCC1CCCCC1)c1cnc(Cl)c(F)c1 ZINC000313196884 1199760719 /nfs/dbraw/zinc/76/07/19/1199760719.db2.gz XZDJBNMRLFXFRD-UHFFFAOYSA-N -1 3 320.817 3.123 10 0 DGAEHM C[C@@H]1CC[C@@H](C[N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)C1 ZINC000230415987 1202597980 /nfs/dbraw/zinc/59/79/80/1202597980.db2.gz FTYBGTVWXDITJG-RKDXNWHRSA-N -1 3 323.245 3.103 10 0 DGAEHM COc1cccc(C(=O)[N-]c2nnc(CC(C)C)s2)c1F ZINC000090371550 185293184 /nfs/dbraw/zinc/29/31/84/185293184.db2.gz SCJOTSBMLWJOJK-UHFFFAOYSA-N -1 3 309.366 3.137 10 0 DGAEHM Cc1ccc([O-])c(CN[C@@H](COCC(C)C)c2ccco2)n1 ZINC000103344709 432007079 /nfs/dbraw/zinc/00/70/79/432007079.db2.gz NKIRQVJGRDOYBB-HNNXBMFYSA-N -1 3 304.390 3.192 10 0 DGAEHM O=C(NCc1ccc([O-])c(F)c1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000172626891 198127582 /nfs/dbraw/zinc/12/75/82/198127582.db2.gz NJVZHRGYSUMWGL-SNVBAGLBSA-N -1 3 320.286 3.015 10 0 DGAEHM COc1nnc(NC(=O)c2sccc2-c2ccc(C)cc2)[n-]1 ZINC000179365950 432055802 /nfs/dbraw/zinc/05/58/02/432055802.db2.gz OPSBPNKFLCIAOL-UHFFFAOYSA-N -1 3 314.370 3.103 10 0 DGAEHM COc1nc(NC(=O)c2sccc2-c2ccc(C)cc2)n[n-]1 ZINC000179365950 432055805 /nfs/dbraw/zinc/05/58/05/432055805.db2.gz OPSBPNKFLCIAOL-UHFFFAOYSA-N -1 3 314.370 3.103 10 0 DGAEHM COc1n[n-]c(NC(=O)c2sccc2-c2ccc(C)cc2)n1 ZINC000179365950 432055808 /nfs/dbraw/zinc/05/58/08/432055808.db2.gz OPSBPNKFLCIAOL-UHFFFAOYSA-N -1 3 314.370 3.103 10 0 DGAEHM COc1ccc(C(=O)N2CCC[C@H]2c2csc(C)n2)c([O-])c1 ZINC000187128417 200065648 /nfs/dbraw/zinc/06/56/48/200065648.db2.gz TUNNYQSMKXDLBK-AWEZNQCLSA-N -1 3 318.398 3.143 10 0 DGAEHM Cc1nc(CC(C)C)oc1C(=O)[N-]c1nnc(C(C)C)s1 ZINC000188391502 200238687 /nfs/dbraw/zinc/23/86/87/200238687.db2.gz SRRSLYXCCBHTSV-UHFFFAOYSA-N -1 3 308.407 3.409 10 0 DGAEHM CC(C)CC1(C(=O)Nc2cc(-c3nccn3C)[n-]n2)CCCC1 ZINC000119358937 284141687 /nfs/dbraw/zinc/14/16/87/284141687.db2.gz XJNYNBQIPQTPIE-UHFFFAOYSA-N -1 3 315.421 3.355 10 0 DGAEHM CC(C)CC1(C(=O)Nc2cc(-c3nccn3C)n[n-]2)CCCC1 ZINC000119358937 284141690 /nfs/dbraw/zinc/14/16/90/284141690.db2.gz XJNYNBQIPQTPIE-UHFFFAOYSA-N -1 3 315.421 3.355 10 0 DGAEHM Cc1cccc(Sc2nc3ccccc3n3c(=O)[n-]nc23)c1 ZINC000021730220 182287403 /nfs/dbraw/zinc/28/74/03/182287403.db2.gz RKBIUAGQNVKLOQ-UHFFFAOYSA-N -1 3 308.366 3.030 10 0 DGAEHM CCNc1ncnc([N-]c2nc3c(cccc3C)s2)c1N ZINC000040707405 183121056 /nfs/dbraw/zinc/12/10/56/183121056.db2.gz XEYSSWJYNHFBMM-UHFFFAOYSA-N -1 3 300.391 3.152 10 0 DGAEHM CSc1ccc(CNc2nc(C(F)(F)F)cc(=O)[n-]2)cc1 ZINC000057342674 184034308 /nfs/dbraw/zinc/03/43/08/184034308.db2.gz MKMDSSIRLZAVPO-UHFFFAOYSA-N -1 3 315.320 3.123 10 0 DGAEHM COc1ccccc1C[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000155165260 197028094 /nfs/dbraw/zinc/02/80/94/197028094.db2.gz ZDWODHGJMZDUCW-HNNXBMFYSA-N -1 3 311.381 3.248 10 0 DGAEHM C[C@H](NC(=O)c1cccc([O-])c1)c1ccccc1OC(F)F ZINC000357185811 285669382 /nfs/dbraw/zinc/66/93/82/285669382.db2.gz JTKQXXGYHCHRMQ-JTQLQIEISA-N -1 3 307.296 3.485 10 0 DGAEHM O=C(c1ccc(O)cc1[O-])N1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000034775360 400386856 /nfs/dbraw/zinc/38/68/56/400386856.db2.gz LBOIODMPDVHWQO-GFCCVEGCSA-N -1 3 317.772 3.381 10 0 DGAEHM O=C([O-])[C@H]1CCC[C@@H](NCc2sccc2Br)C1 ZINC000070557653 400353148 /nfs/dbraw/zinc/35/31/48/400353148.db2.gz QIPTUSQFOMNAHD-DTWKUNHWSA-N -1 3 318.236 3.244 10 0 DGAEHM CCN(Cc1ccc(Br)c(F)c1F)[C@H](C)C(=O)[O-] ZINC000629489161 400939319 /nfs/dbraw/zinc/93/93/19/400939319.db2.gz CWRHGXKXZQMDLX-SSDOTTSWSA-N -1 3 322.149 3.022 10 0 DGAEHM O=c1cc(C(F)F)nc(-c2ccc(Br)cc2)[n-]1 ZINC000231470690 400970135 /nfs/dbraw/zinc/97/01/35/400970135.db2.gz FHLHZTHHAPBDKN-UHFFFAOYSA-N -1 3 301.090 3.137 10 0 DGAEHM O=C([N-]N=Cc1cccc(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC000257352785 401110257 /nfs/dbraw/zinc/11/02/57/401110257.db2.gz NKNRZYCJVKZLAI-UHFFFAOYSA-N -1 3 303.705 3.012 10 0 DGAEHM Cc1cccc([C@@](N)(C(=O)[O-])c2cccc(Br)c2)c1 ZINC000084752133 401156036 /nfs/dbraw/zinc/15/60/36/401156036.db2.gz GQMRITSSVOMIAU-HNNXBMFYSA-N -1 3 320.186 3.044 10 0 DGAEHM O=C(N[C@H]1CCCC1(F)F)c1cc([O-])cc(Br)c1 ZINC000627293662 401456910 /nfs/dbraw/zinc/45/69/10/401456910.db2.gz ZAGUIJSWDQRNFX-JTQLQIEISA-N -1 3 320.133 3.072 10 0 DGAEHM CC[C@@H](NC(=O)c1cc([O-])cc(Br)c1)C(C)C ZINC000624593932 401673957 /nfs/dbraw/zinc/67/39/57/401673957.db2.gz IPFPAMYQDHKUJT-GFCCVEGCSA-N -1 3 300.196 3.319 10 0 DGAEHM CCc1cc(C(=O)N(C)[C@@H](C)Cc2ccc(O)cc2)ccc1[O-] ZINC000362921518 286876582 /nfs/dbraw/zinc/87/65/82/286876582.db2.gz FSSCGPFJQOYWCL-ZDUSSCGKSA-N -1 3 313.397 3.363 10 0 DGAEHM O=C(NC[C@@H]1CCCN(c2ccccc2)C1)c1cccc([O-])c1 ZINC000364186403 286997102 /nfs/dbraw/zinc/99/71/02/286997102.db2.gz IJTYTHOGOMFOGL-HNNXBMFYSA-N -1 3 310.397 3.039 10 0 DGAEHM CC[C@H](C)[C@H](C)C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000183422871 164951981 /nfs/dbraw/zinc/95/19/81/164951981.db2.gz YGDOQQJGCPAPSS-AAEUAGOBSA-N -1 3 313.401 3.366 10 0 DGAEHM CCc1cnc(CN[C@H](CCC(=O)[O-])Cc2ccccc2)s1 ZINC000263474137 165869966 /nfs/dbraw/zinc/86/99/66/165869966.db2.gz DZURTOKNMXQMQE-CQSZACIVSA-N -1 3 318.442 3.271 10 0 DGAEHM C[C@@H]1CC[C@@H](C)N(C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)C1 ZINC000408152234 287674557 /nfs/dbraw/zinc/67/45/57/287674557.db2.gz XYUMINURCMKYKZ-NXEZZACHSA-N -1 3 320.339 3.067 10 0 DGAEHM Cc1ccc([C@H]2CC(c3ccccc3[O-])=Nc3ncnn32)cc1 ZINC000111927326 431243790 /nfs/dbraw/zinc/24/37/90/431243790.db2.gz WRRDTPZXAUXWSC-MRXNPFEDSA-N -1 3 304.353 3.348 10 0 DGAEHM Cn1cc(-c2ncc(C(=O)[N-]c3cc(F)ccc3F)s2)cn1 ZINC000112161659 431250926 /nfs/dbraw/zinc/25/09/26/431250926.db2.gz CNBXPTJSKYRZAY-UHFFFAOYSA-N -1 3 320.324 3.074 10 0 DGAEHM COc1cccc(C(=O)N2CCC[C@@]3(CC=CCC3)C2)c1[O-] ZINC000114557595 431396957 /nfs/dbraw/zinc/39/69/57/431396957.db2.gz UTFUTWQDRIRQQK-SFHVURJKSA-N -1 3 301.386 3.363 10 0 DGAEHM COc1ccc([O-])c(C(=O)N2CCC[C@@]3(CC=CCC3)C2)c1 ZINC000114557919 431398882 /nfs/dbraw/zinc/39/88/82/431398882.db2.gz VRCQLGLQDHPAFF-SFHVURJKSA-N -1 3 301.386 3.363 10 0 DGAEHM C[C@]12CC[C@@H]3c4cc(C=O)c([O-])cc4CC[C@H]3[C@@H]1CC[C@@H]2O ZINC000013755879 431570347 /nfs/dbraw/zinc/57/03/47/431570347.db2.gz GRWCHGOKIWOAEF-NNYOOSKESA-N -1 3 300.398 3.422 10 0 DGAEHM COc1ccc([O-])c(C(=O)N2CC=C(c3ccccc3)CC2)c1 ZINC000078231783 431649482 /nfs/dbraw/zinc/64/94/82/431649482.db2.gz ITRASYMPKWYZOH-UHFFFAOYSA-N -1 3 309.365 3.330 10 0 DGAEHM O=C(N[C@H](c1ccccc1)c1ccncc1)c1ccccc1[O-] ZINC000121085854 431744806 /nfs/dbraw/zinc/74/48/06/431744806.db2.gz ODOJUOCQWYQLOW-GOSISDBHSA-N -1 3 304.349 3.307 10 0 DGAEHM Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1ccc([O-])cc1F ZINC000183280400 432278798 /nfs/dbraw/zinc/27/87/98/432278798.db2.gz NMQCAMMMKNMSRT-UHFFFAOYSA-N -1 3 319.380 3.182 10 0 DGAEHM Cc1cccc(C(=O)N2CCC[C@H]2c2noc(C(C)C)n2)c1[O-] ZINC000173754127 432297677 /nfs/dbraw/zinc/29/76/77/432297677.db2.gz LUUDUEZUQVUCDR-ZDUSSCGKSA-N -1 3 315.373 3.184 10 0 DGAEHM Cc1csc([C@H]2CCCN(C(=O)c3ccc(C)cc3[O-])C2)n1 ZINC000173751298 432297907 /nfs/dbraw/zinc/29/79/07/432297907.db2.gz HJVRNYHTAKQIMT-ZDUSSCGKSA-N -1 3 316.426 3.485 10 0 DGAEHM O=[S@@](Cc1coc(-c2ccc(F)cc2)n1)c1cccc([O-])c1 ZINC000184047682 432349399 /nfs/dbraw/zinc/34/93/99/432349399.db2.gz XHPZQVZKNRUEBD-QFIPXVFZSA-N -1 3 317.341 3.494 10 0 DGAEHM O=C([O-])[C@@]12CCC[C@H]1CN(Cc1ncc(-c3ccccc3)o1)C2 ZINC000262233580 432478691 /nfs/dbraw/zinc/47/86/91/432478691.db2.gz XCNSFQBAHCNHOW-KBXCAEBGSA-N -1 3 312.369 3.028 10 0 DGAEHM CC(=O)c1ccc2c(c1)CCN(Cc1ccc(C(=O)[O-])cc1)CC2 ZINC000263581130 432558724 /nfs/dbraw/zinc/55/87/24/432558724.db2.gz WTVWZCWRCCHGMW-UHFFFAOYSA-N -1 3 323.392 3.188 10 0 DGAEHM CC[C@@H]1CN(c2ccccc2)CCN1Cc1ccc(C(=O)[O-])cc1 ZINC000263417141 432542873 /nfs/dbraw/zinc/54/28/73/432542873.db2.gz NPMCWCRJIYSXER-GOSISDBHSA-N -1 3 324.424 3.486 10 0 DGAEHM CCc1cnc(CN[C@@H](CCC(=O)[O-])Cc2ccccc2)s1 ZINC000263474135 432547012 /nfs/dbraw/zinc/54/70/12/432547012.db2.gz DZURTOKNMXQMQE-AWEZNQCLSA-N -1 3 318.442 3.271 10 0 DGAEHM CC(C)[C@H](C)NC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000187502461 432667574 /nfs/dbraw/zinc/66/75/74/432667574.db2.gz HODXDJWCSVWGBB-ZDUSSCGKSA-N -1 3 311.381 3.398 10 0 DGAEHM Cc1cc(F)cc2c(=O)c(C(=O)N[C@H](C)C3CCCC3)c[n-]c12 ZINC000178373710 432727235 /nfs/dbraw/zinc/72/72/35/432727235.db2.gz KFJZMEYOJDHGKF-LLVKDONJSA-N -1 3 316.376 3.284 10 0 DGAEHM C[C@@H]1CN(CCOc2c(Cl)cccc2Cl)C[C@H]1C(=O)[O-] ZINC000235367286 432743087 /nfs/dbraw/zinc/74/30/87/432743087.db2.gz JIPBYBLJBNJWBM-NXEZZACHSA-N -1 3 318.200 3.025 10 0 DGAEHM O=C(N[C@H]1CCCc2c[nH]nc21)c1cc([O-])c2ccccc2c1 ZINC000376759904 433811731 /nfs/dbraw/zinc/81/17/31/433811731.db2.gz XGNQUVGLSUHRAL-HNNXBMFYSA-N -1 3 307.353 3.076 10 0 DGAEHM C[C@@H](NC(=O)c1cccc([O-])c1)c1ccccc1OC(F)F ZINC000357185815 433900860 /nfs/dbraw/zinc/90/08/60/433900860.db2.gz JTKQXXGYHCHRMQ-SNVBAGLBSA-N -1 3 307.296 3.485 10 0 DGAEHM O=C(NC[C@@H]1CCC[C@H](C(F)(F)F)C1)c1cccc([O-])c1 ZINC000357303651 433943809 /nfs/dbraw/zinc/94/38/09/433943809.db2.gz LIYWVHBUTUIGAJ-PWSUYJOCSA-N -1 3 301.308 3.491 10 0 DGAEHM O=C(N[C@@H]1C[C@H]1c1c(F)cccc1Cl)c1cccc([O-])c1 ZINC000357313421 433946159 /nfs/dbraw/zinc/94/61/59/433946159.db2.gz PLWPJAMPMBQTHU-BXUZGUMPSA-N -1 3 305.736 3.471 10 0 DGAEHM CO[C@@H](c1ccccc1F)[C@H](C)NC(=O)c1cccc([O-])c1 ZINC000357510948 434057571 /nfs/dbraw/zinc/05/75/71/434057571.db2.gz CXXXRVIPHGMQOY-MEDUHNTESA-N -1 3 303.333 3.037 10 0 DGAEHM C[C@@H]1C[C@@H]1CNC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436987847 434191218 /nfs/dbraw/zinc/19/12/18/434191218.db2.gz KIEKNAZXFNHNIY-UKRRQHHQSA-N -1 3 311.381 3.357 10 0 DGAEHM CCc1ccc(C(=O)N2CC[C@@H](C(F)(F)F)[C@@H]2C)c([O-])c1 ZINC000436988072 434192420 /nfs/dbraw/zinc/19/24/20/434192420.db2.gz JNZNIBXPMHVJIO-JOYOIKCWSA-N -1 3 301.308 3.368 10 0 DGAEHM C[C@H]1C[C@H]1CNC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436987850 434193615 /nfs/dbraw/zinc/19/36/15/434193615.db2.gz KIEKNAZXFNHNIY-ZFWWWQNUSA-N -1 3 311.381 3.357 10 0 DGAEHM CCOc1nc2cc(C(=O)N(C)C[C@@H]3CC=CCC3)ccc2[n-]1 ZINC000450559858 434266210 /nfs/dbraw/zinc/26/62/10/434266210.db2.gz QHSPSJULXCELDG-CYBMUJFWSA-N -1 3 313.401 3.390 10 0 DGAEHM CCOc1nc2ccc(C(=O)N(C)C[C@@H]3CC=CCC3)cc2[n-]1 ZINC000450559858 434266218 /nfs/dbraw/zinc/26/62/18/434266218.db2.gz QHSPSJULXCELDG-CYBMUJFWSA-N -1 3 313.401 3.390 10 0 DGAEHM Cc1c2ccccc2oc1C[N-]S(=O)(=O)c1cccc(F)c1 ZINC000360060969 434499316 /nfs/dbraw/zinc/49/93/16/434499316.db2.gz PUZJNKGAYHLXCC-UHFFFAOYSA-N -1 3 319.357 3.359 10 0 DGAEHM O=C(CC/C=C\c1ccccc1)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000527208765 295083532 /nfs/dbraw/zinc/08/35/32/295083532.db2.gz XONZHDKIAACYKK-VCELZJIISA-N -1 3 311.385 3.115 10 0 DGAEHM CC(C)c1ccc(C(=O)N2CC[C@@H](C(C)(C)C)[C@@H](O)C2)c([O-])c1 ZINC000408415042 434573679 /nfs/dbraw/zinc/57/36/79/434573679.db2.gz MZZOVJQVJDODBE-WBVHZDCISA-N -1 3 319.445 3.385 10 0 DGAEHM CC(=O)c1ccc(C(=O)Nc2nc(C(C)C)cs2)cc1[O-] ZINC000411210686 434745014 /nfs/dbraw/zinc/74/50/14/434745014.db2.gz FZEBOJAIHQOKCF-UHFFFAOYSA-N -1 3 304.371 3.427 10 0 DGAEHM C[C@H]1CCN(C(=O)N=c2cc3ccccn3[n-]2)[C@@H](c2ccco2)C1 ZINC000554416277 434926494 /nfs/dbraw/zinc/92/64/94/434926494.db2.gz LELSVOIEMRUWQB-DZGCQCFKSA-N -1 3 324.384 3.354 10 0 DGAEHM CCOC(=O)c1cc([O-])cc(C(F)(F)F)c1Br ZINC000575699607 435047143 /nfs/dbraw/zinc/04/71/43/435047143.db2.gz KAOYZLSZVVATDI-UHFFFAOYSA-N -1 3 313.069 3.350 10 0 DGAEHM Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1cc(F)ccc1[O-] ZINC000174879638 312765977 /nfs/dbraw/zinc/76/59/77/312765977.db2.gz ZLTJCFLKLOHTPP-UHFFFAOYSA-N -1 3 319.380 3.182 10 0 DGAEHM O=C(N[C@H]1CC12CCCC2)c1cc([O-])cc(Br)c1 ZINC000529168799 313151333 /nfs/dbraw/zinc/15/13/33/313151333.db2.gz TYGLMXSHXWMSPE-LBPRGKRZSA-N -1 3 310.191 3.217 10 0 DGAEHM Cc1nc2ccccc2n1CCC(=O)Nc1cccc([O-])c1F ZINC000547807929 314397708 /nfs/dbraw/zinc/39/77/08/314397708.db2.gz KVFDHUGFXZMNBG-UHFFFAOYSA-N -1 3 313.332 3.218 10 0 DGAEHM Cc1cccc(F)c1NCc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000182748977 323310856 /nfs/dbraw/zinc/31/08/56/323310856.db2.gz GMZGYNVWHDGJHR-UHFFFAOYSA-N -1 3 301.243 3.261 10 0 DGAEHM Cc1c2c(sc1NC(=O)c1cccc3nn[n-]c31)CCCC2 ZINC000182781401 323311845 /nfs/dbraw/zinc/31/18/45/323311845.db2.gz POINPNWNHCEQIU-UHFFFAOYSA-N -1 3 312.398 3.459 10 0 DGAEHM Cc1c2c(sc1NC(=O)c1cccc3[n-]nnc31)CCCC2 ZINC000182781401 323311847 /nfs/dbraw/zinc/31/18/47/323311847.db2.gz POINPNWNHCEQIU-UHFFFAOYSA-N -1 3 312.398 3.459 10 0 DGAEHM Cc1c2c(sc1NC(=O)c1cccc3n[n-]nc31)CCCC2 ZINC000182781401 323311852 /nfs/dbraw/zinc/31/18/52/323311852.db2.gz POINPNWNHCEQIU-UHFFFAOYSA-N -1 3 312.398 3.459 10 0 DGAEHM Cc1cccc(C(=O)N(C[C@@H]2CCCO2)C2CCCC2)c1[O-] ZINC000174519636 534586899 /nfs/dbraw/zinc/58/68/99/534586899.db2.gz XSQOYIXSMODHTN-HNNXBMFYSA-N -1 3 303.402 3.264 10 0 DGAEHM CO[C@H]1CC[C@H](NC(=O)CCc2ccc3ccccc3c2[O-])C1 ZINC000451109761 536764224 /nfs/dbraw/zinc/76/42/24/536764224.db2.gz OPNVZKNMYJJSID-HOTGVXAUSA-N -1 3 313.397 3.162 10 0 DGAEHM Cc1ccc([O-])c(CN2CCC[C@@H]2c2ccc3c(c2)OCO3)n1 ZINC000093048629 545851257 /nfs/dbraw/zinc/85/12/57/545851257.db2.gz OWJGUXFGKQGXDQ-OAHLLOKOSA-N -1 3 312.369 3.161 10 0 DGAEHM Cc1oc2ncnc([N-]C(=O)c3coc(C4CCC4)n3)c2c1C ZINC000193929370 546244852 /nfs/dbraw/zinc/24/48/52/546244852.db2.gz LKXJHAMJGINJJC-UHFFFAOYSA-N -1 3 312.329 3.347 10 0 DGAEHM CCn1cc(CN(C)C(=O)c2cc([O-])c3ccccc3c2)cn1 ZINC000527455808 546970549 /nfs/dbraw/zinc/97/05/49/546970549.db2.gz OKGWQZLKTRXWCE-UHFFFAOYSA-N -1 3 309.369 3.034 10 0 DGAEHM Cc1ccc([C@@H](C)C[N-]S(=O)(=O)c2cccnc2Cl)cc1 ZINC000738403513 574868079 /nfs/dbraw/zinc/86/80/79/574868079.db2.gz MMYIJXUTTXKKMB-LBPRGKRZSA-N -1 3 324.833 3.125 10 0 DGAEHM CC(C=C1SC(=S)NC1=O)=C1SC(=S)[N-]C1=O ZINC000056635580 660436989 /nfs/dbraw/zinc/43/69/89/660436989.db2.gz HEPBZCBUVKBSJE-VOERYJCWSA-N -1 3 302.427 3.121 10 0 DGAEHM CO[C@@H](C)c1cccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)c1 ZINC000255334916 655702336 /nfs/dbraw/zinc/70/23/36/655702336.db2.gz HRCNBLKDWTXERQ-UEMWTREESA-N -1 3 322.364 3.117 10 0 DGAEHM Cc1ccc([O-])c(C(=O)Nc2ccccc2C(=O)NC(C)C)c1 ZINC000124154536 656225918 /nfs/dbraw/zinc/22/59/18/656225918.db2.gz YDJFIHQDTUTLSZ-UHFFFAOYSA-N -1 3 312.369 3.091 10 0 DGAEHM C[C@H]1C[C@H](C(=O)[O-])CN(Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000263113196 658140849 /nfs/dbraw/zinc/14/08/49/658140849.db2.gz BVZLYLFBJLCMJT-AAEUAGOBSA-N -1 3 318.348 3.023 10 0 DGAEHM O=C([O-])[C@@H]1CN(CCc2cccc(Cl)c2)C[C@H]1C(F)(F)F ZINC000263479800 658246830 /nfs/dbraw/zinc/24/68/30/658246830.db2.gz GBVGRQVEWQBKNY-VXGBXAGGSA-N -1 3 321.726 3.077 10 0 DGAEHM C[C@]1([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)CC=CCC1 ZINC000398245576 1176786891 /nfs/dbraw/zinc/78/68/91/1176786891.db2.gz IUAIYJLWIXWTLT-LBPRGKRZSA-N -1 3 321.229 3.166 10 0 DGAEHM CC(C)[C@@]1(C)C[C@H]1[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000397197666 1177000949 /nfs/dbraw/zinc/00/09/49/1177000949.db2.gz SYKWWJUFELUSPC-ZYHUDNBSSA-N -1 3 323.245 3.101 10 0 DGAEHM O=C(CCCc1ccc(F)cc1)[N-]OCCOc1ccccc1 ZINC000041316359 1194134641 /nfs/dbraw/zinc/13/46/41/1194134641.db2.gz GACCSJODIVNDBO-UHFFFAOYSA-N -1 3 317.360 3.275 10 0 DGAEHM CCC[C@H]([N-]S(=O)(=O)c1cnc(Cl)c(F)c1)C1CCC1 ZINC000324848883 1197693663 /nfs/dbraw/zinc/69/36/63/1197693663.db2.gz DSTVWNKJIYHNJT-LBPRGKRZSA-N -1 3 320.817 3.121 10 0 DGAEHM Cc1cc(=O)[n-]c([C@@H](C)N2CCC(Oc3ccccc3)CC2)n1 ZINC000192554604 1203289758 /nfs/dbraw/zinc/28/97/58/1203289758.db2.gz MOLYZEBCCNRPHJ-CQSZACIVSA-N -1 3 313.401 3.095 10 0 DGAEHM COc1ccc(/C(C)=C/C(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000175396512 1203919151 /nfs/dbraw/zinc/91/91/51/1203919151.db2.gz CCIGMWAYRNYAAL-FMIVXFBMSA-N -1 3 315.344 3.260 10 0 DGAEHM CC1(C)C[C@@]1(C)C[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000702396885 1109054653 /nfs/dbraw/zinc/05/46/53/1109054653.db2.gz YWLNETWGSYEWKE-LBPRGKRZSA-N -1 3 323.245 3.103 10 0 DGAEHM CC1(C(=O)[O-])CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000062844388 432004189 /nfs/dbraw/zinc/00/41/89/432004189.db2.gz ZXHJYKSEJQKEIE-UHFFFAOYSA-N -1 3 301.308 3.392 10 0 DGAEHM Cc1cccc([O-])c1NC(=O)c1cnn(CCC(F)(F)F)c1 ZINC000183877105 186226734 /nfs/dbraw/zinc/22/67/34/186226734.db2.gz BZQIPXBITOOFTQ-UHFFFAOYSA-N -1 3 313.279 3.102 10 0 DGAEHM Cc1ccc([C@H](C)NC(=O)c2c[n-]c3ccccc3c2=O)cc1F ZINC000130933968 432031436 /nfs/dbraw/zinc/03/14/36/432031436.db2.gz PJRKUEJSNCAODT-LBPRGKRZSA-N -1 3 324.355 3.467 10 0 DGAEHM O=C([N-]c1nc2ccccn2n1)c1cc2cc(Cl)ccc2o1 ZINC000132687500 432052995 /nfs/dbraw/zinc/05/29/95/432052995.db2.gz BBYWSHSFURMSBI-UHFFFAOYSA-N -1 3 312.716 3.381 10 0 DGAEHM [O-]c1cncc(/C=C/c2nc(-c3ccc(F)c(F)c3)no2)c1 ZINC000180453611 432087335 /nfs/dbraw/zinc/08/73/35/432087335.db2.gz CSDAYWIGQBWTDA-DAFODLJHSA-N -1 3 301.252 3.286 10 0 DGAEHM Cc1cccc(C(=O)N2CC3(CCCC3)OC(C)(C)C2)c1[O-] ZINC000189941128 432105675 /nfs/dbraw/zinc/10/56/75/432105675.db2.gz RRJOLWVFKMTVPI-UHFFFAOYSA-N -1 3 303.402 3.264 10 0 DGAEHM Cc1ccc([O-])c(CNc2cc3c(cc2Cl)OCCO3)n1 ZINC000091993734 193138917 /nfs/dbraw/zinc/13/89/17/193138917.db2.gz KWCRHIDQWIJARV-UHFFFAOYSA-N -1 3 306.749 3.132 10 0 DGAEHM CO[C@H](C)[C@@H](C)NC(=O)CCc1ccc2ccccc2c1[O-] ZINC000451850901 241255713 /nfs/dbraw/zinc/25/57/13/241255713.db2.gz IQVBPLRIBBVRII-CHWSQXEVSA-N -1 3 301.386 3.018 10 0 DGAEHM CCC[C@H](C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1ccccc1 ZINC000473853671 244352405 /nfs/dbraw/zinc/35/24/05/244352405.db2.gz WUEADAOPFACBBP-HOCLYGCPSA-N -1 3 313.401 3.206 10 0 DGAEHM Cc1ccc(F)c([N-]S(=O)(=O)c2cccc3ncccc32)c1 ZINC000120009195 284158465 /nfs/dbraw/zinc/15/84/65/284158465.db2.gz VMRCNTLIEIWIEH-UHFFFAOYSA-N -1 3 316.357 3.483 10 0 DGAEHM O=S(=O)([N-]CCc1ccsc1)c1cc(F)ccc1Cl ZINC000171418045 432131446 /nfs/dbraw/zinc/13/14/46/432131446.db2.gz DNDMDYMMIHBFEF-UHFFFAOYSA-N -1 3 319.810 3.062 10 0 DGAEHM CC1CCN(C(=O)c2c[n-]c3ccc(Cl)cc3c2=O)CC1 ZINC000021657844 182282903 /nfs/dbraw/zinc/28/29/03/182282903.db2.gz YSIPBXGSSDZEEN-UHFFFAOYSA-N -1 3 304.777 3.054 10 0 DGAEHM CC1CCN(C(=O)c2cnc3ccc(Cl)cc3c2[O-])CC1 ZINC000021657844 182282904 /nfs/dbraw/zinc/28/29/04/182282904.db2.gz YSIPBXGSSDZEEN-UHFFFAOYSA-N -1 3 304.777 3.054 10 0 DGAEHM Nc1c([N-]c2nccs2)ncnc1NC1CCCCCC1 ZINC000040780963 183133178 /nfs/dbraw/zinc/13/31/78/183133178.db2.gz IBNASKMHSNVDHI-UHFFFAOYSA-N -1 3 304.423 3.394 10 0 DGAEHM O=C(Nc1ccccc1F)c1c[n-]c2c(F)cccc2c1=O ZINC000041055671 183160293 /nfs/dbraw/zinc/16/02/93/183160293.db2.gz LEEWZIQXNPPWCS-UHFFFAOYSA-N -1 3 300.264 3.059 10 0 DGAEHM O=C(Nc1ccccc1F)c1cnc2c(F)cccc2c1[O-] ZINC000041055671 183160294 /nfs/dbraw/zinc/16/02/94/183160294.db2.gz LEEWZIQXNPPWCS-UHFFFAOYSA-N -1 3 300.264 3.059 10 0 DGAEHM CCN(CC)[C@@H](CC(=O)[O-])c1ccccc1Br ZINC000057629321 184042608 /nfs/dbraw/zinc/04/26/08/184042608.db2.gz RHPCHXNOHUBFOD-LBPRGKRZSA-N -1 3 300.196 3.307 10 0 DGAEHM COc1cc(C)cc(NC(=O)c2n[n-]nc2-c2ccccc2)c1C ZINC000435920372 533645021 /nfs/dbraw/zinc/64/50/21/533645021.db2.gz JGYAMSBNCLPWFJ-UHFFFAOYSA-N -1 3 322.368 3.349 10 0 DGAEHM Cc1cc(S(=O)(=O)[N-][C@H]2CC=CCC2)c(Cl)cc1F ZINC000177627074 291980238 /nfs/dbraw/zinc/98/02/38/291980238.db2.gz TYTRDBJOFUJFHW-JTQLQIEISA-N -1 3 303.786 3.175 10 0 DGAEHM CCOC(=O)CC1(CNC(=O)c2cccc([O-])c2)CCCCC1 ZINC000357257197 285692725 /nfs/dbraw/zinc/69/27/25/285692725.db2.gz PIUJUPAESHHNND-UHFFFAOYSA-N -1 3 319.401 3.026 10 0 DGAEHM C[C@H](NC(=O)c1cccc([O-])c1)c1ccc(Br)cn1 ZINC000357730572 285846598 /nfs/dbraw/zinc/84/65/98/285846598.db2.gz LWFBPFUQMHUWTC-VIFPVBQESA-N -1 3 321.174 3.041 10 0 DGAEHM CCCn1c(=O)[n-]nc1SCc1cc(Cl)ccc1OC ZINC000007364792 400103851 /nfs/dbraw/zinc/10/38/51/400103851.db2.gz IVNPPCBZOZKTAM-UHFFFAOYSA-N -1 3 313.810 3.348 10 0 DGAEHM c1csc(-c2nnc(Sc3nc(C4CC4)ns3)[n-]2)c1 ZINC000092584089 400183872 /nfs/dbraw/zinc/18/38/72/400183872.db2.gz XLYPXQXTQAEQJZ-UHFFFAOYSA-N -1 3 307.429 3.413 10 0 DGAEHM c1csc(-c2n[n-]c(Sc3nc(C4CC4)ns3)n2)c1 ZINC000092584089 400183878 /nfs/dbraw/zinc/18/38/78/400183878.db2.gz XLYPXQXTQAEQJZ-UHFFFAOYSA-N -1 3 307.429 3.413 10 0 DGAEHM c1csc(-c2nc(Sc3nc(C4CC4)ns3)n[n-]2)c1 ZINC000092584089 400183882 /nfs/dbraw/zinc/18/38/82/400183882.db2.gz XLYPXQXTQAEQJZ-UHFFFAOYSA-N -1 3 307.429 3.413 10 0 DGAEHM CCOC(=O)c1ncc(NC(=O)CC/C=C/c2ccccc2)[n-]1 ZINC000617873534 400470727 /nfs/dbraw/zinc/47/07/27/400470727.db2.gz AZGMWYODLLEZAT-UXBLZVDNSA-N -1 3 313.357 3.019 10 0 DGAEHM CCOC(=O)c1nc(NC(=O)CC/C=C/c2ccccc2)c[n-]1 ZINC000617873534 400470733 /nfs/dbraw/zinc/47/07/33/400470733.db2.gz AZGMWYODLLEZAT-UXBLZVDNSA-N -1 3 313.357 3.019 10 0 DGAEHM COc1ccc([C@H](C)NC(=O)c2ccc(C)cc2[O-])cc1OC ZINC000045486035 400524387 /nfs/dbraw/zinc/52/43/87/400524387.db2.gz CSHKGIGHVXQQGM-LBPRGKRZSA-N -1 3 315.369 3.209 10 0 DGAEHM CCOc1ccccc1CCC(=O)NCc1ccc([O-])c(F)c1 ZINC000133229953 400568143 /nfs/dbraw/zinc/56/81/43/400568143.db2.gz DNOIYZDMCRHLJW-UHFFFAOYSA-N -1 3 317.360 3.179 10 0 DGAEHM [O-]c1ccc2c(c1)CON=C2c1ccc(Br)cc1 ZINC000149296127 400658739 /nfs/dbraw/zinc/65/87/39/400658739.db2.gz ATVGISKQTQNBTI-UHFFFAOYSA-N -1 3 304.143 3.437 10 0 DGAEHM CN(C)[C@H](Cc1ccccc1)C(=O)Nc1cccc(Cl)c1[O-] ZINC000077012745 400685084 /nfs/dbraw/zinc/68/50/84/400685084.db2.gz YQQQLCYLFZPCTL-OAHLLOKOSA-N -1 3 318.804 3.157 10 0 DGAEHM O=C([O-])[C@H]1CCC[C@H](NCc2c(F)ccc(F)c2Cl)C1 ZINC000630461147 401272719 /nfs/dbraw/zinc/27/27/19/401272719.db2.gz AWDHLEMDDKZQQP-IUCAKERBSA-N -1 3 303.736 3.351 10 0 DGAEHM O=C(c1cc([O-])cc(Br)c1)N1CCC12CCCC2 ZINC000627981047 401507772 /nfs/dbraw/zinc/50/77/72/401507772.db2.gz JMUQGIDTWZZFMA-UHFFFAOYSA-N -1 3 310.191 3.313 10 0 DGAEHM CC(NC(=O)c1cc([O-])cc(Br)c1)(C1CC1)C1CC1 ZINC000628136282 401531207 /nfs/dbraw/zinc/53/12/07/401531207.db2.gz WRQXQNYDRRZJJE-UHFFFAOYSA-N -1 3 324.218 3.463 10 0 DGAEHM Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2csc(=O)[n-]2)o1 ZINC000364191261 286997685 /nfs/dbraw/zinc/99/76/85/286997685.db2.gz RNCLPKINUGQKBD-JOYOIKCWSA-N -1 3 306.387 3.364 10 0 DGAEHM CCc1ccc(C(=O)Nc2cccc3c2OCC[C@H]3O)c([O-])c1 ZINC000189779113 165176125 /nfs/dbraw/zinc/17/61/25/165176125.db2.gz YORLAWKGEWYOMM-OAHLLOKOSA-N -1 3 313.353 3.023 10 0 DGAEHM CCc1ccc(C(=O)Nc2cccc3c2OCC[C@@H]3O)c([O-])c1 ZINC000189779095 165176301 /nfs/dbraw/zinc/17/63/01/165176301.db2.gz YORLAWKGEWYOMM-HNNXBMFYSA-N -1 3 313.353 3.023 10 0 DGAEHM COc1ccsc1S(=O)(=O)[N-]Cc1ccc(C2CC2)cc1 ZINC000190457390 432159799 /nfs/dbraw/zinc/15/97/99/432159799.db2.gz VHUFCBBPVJECPI-UHFFFAOYSA-N -1 3 323.439 3.113 10 0 DGAEHM O=C(c1cc2ccccc2cc1[O-])N1CCCC[C@@H]1c1nc[nH]n1 ZINC000182105506 432158121 /nfs/dbraw/zinc/15/81/21/432158121.db2.gz MCLJVNUVBUJGCS-OAHLLOKOSA-N -1 3 322.368 3.031 10 0 DGAEHM O=C(c1cc2ccccc2cc1[O-])N1CCCC[C@@H]1c1nnc[nH]1 ZINC000182105506 432158123 /nfs/dbraw/zinc/15/81/23/432158123.db2.gz MCLJVNUVBUJGCS-OAHLLOKOSA-N -1 3 322.368 3.031 10 0 DGAEHM O=C(NCc1cc(F)cc(Br)c1)c1cccc([O-])c1 ZINC000182157759 432162492 /nfs/dbraw/zinc/16/24/92/432162492.db2.gz BGMBHGSPAAPTFR-UHFFFAOYSA-N -1 3 324.149 3.224 10 0 DGAEHM C[C@H]1CN(C(=O)c2cccc([O-])c2)C[C@H](c2ccc(F)cc2)O1 ZINC000182505101 432197885 /nfs/dbraw/zinc/19/78/85/432197885.db2.gz NYVFNKGOUQXXPW-YVEFUNNKSA-N -1 3 315.344 3.134 10 0 DGAEHM Cc1nccn1-c1ccc([C@@H](C)NC(=O)c2cccc([O-])c2)cc1 ZINC000182568734 432204803 /nfs/dbraw/zinc/20/48/03/432204803.db2.gz NDMBJZXMYOGRKI-CYBMUJFWSA-N -1 3 321.380 3.377 10 0 DGAEHM Cc1ccc([O-])c(C(=O)N(CCc2nccs2)C(C)C)c1 ZINC000163277616 228261252 /nfs/dbraw/zinc/26/12/52/228261252.db2.gz GCWCOINTCHREMT-UHFFFAOYSA-N -1 3 304.415 3.250 10 0 DGAEHM Cc1c(Cl)cccc1NC(=O)[N-]c1nnc2ccccn21 ZINC000065314552 425902792 /nfs/dbraw/zinc/90/27/92/425902792.db2.gz ANMCXXJFRNGYEZ-UHFFFAOYSA-N -1 3 301.737 3.335 10 0 DGAEHM CC(=O)c1cc(F)c([N-]C(=O)c2nc(C)sc2C)c(F)c1 ZINC000347143906 264164698 /nfs/dbraw/zinc/16/46/98/264164698.db2.gz XVEBDHKZGCPJKL-UHFFFAOYSA-N -1 3 310.325 3.493 10 0 DGAEHM O=S(=O)([N-]C[C@@H]1C[C@@H]1c1ccccc1)c1ccc(F)c(F)c1 ZINC000111358161 431215926 /nfs/dbraw/zinc/21/59/26/431215926.db2.gz UMMODPOWXRQITL-GXTWGEPZSA-N -1 3 323.364 3.047 10 0 DGAEHM O=C(c1c[n-]c2ccccc2c1=O)N1CCC[C@H]1c1ccco1 ZINC000116453840 431513944 /nfs/dbraw/zinc/51/39/44/431513944.db2.gz MYCWXFRLGODGGE-HNNXBMFYSA-N -1 3 308.337 3.098 10 0 DGAEHM O=S(=O)([N-]Cc1ccccc1OC1CCC1)c1cccs1 ZINC000118437909 431602675 /nfs/dbraw/zinc/60/26/75/431602675.db2.gz BXNAVBPEXWWBBM-UHFFFAOYSA-N -1 3 323.439 3.158 10 0 DGAEHM Cc1ccccc1[C@H](C)CC(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000119451229 431693580 /nfs/dbraw/zinc/69/35/80/431693580.db2.gz SJSUGGFMXSYZPX-CYBMUJFWSA-N -1 3 323.400 3.251 10 0 DGAEHM Cc1ccccc1[C@H](C)CC(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000119451229 431693585 /nfs/dbraw/zinc/69/35/85/431693585.db2.gz SJSUGGFMXSYZPX-CYBMUJFWSA-N -1 3 323.400 3.251 10 0 DGAEHM O=C(CCC(=O)c1ccc(F)c(F)c1)Nc1cc(F)ccc1[O-] ZINC000088403523 431856968 /nfs/dbraw/zinc/85/69/68/431856968.db2.gz XQPRWYBDCBALKU-UHFFFAOYSA-N -1 3 323.270 3.411 10 0 DGAEHM C[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H](c2ccc(F)cc2)O1 ZINC000173524849 432284423 /nfs/dbraw/zinc/28/44/23/432284423.db2.gz IVDFHVWDAWSGJV-SJKOYZFVSA-N -1 3 315.344 3.134 10 0 DGAEHM C[C@@]1(C(=O)Nc2nnc(C(F)(F)F)[n-]2)CCCc2ccccc21 ZINC000102889654 432000098 /nfs/dbraw/zinc/00/00/98/432000098.db2.gz CRNZAHWZWGHVKY-CQSZACIVSA-N -1 3 324.306 3.056 10 0 DGAEHM C[C@@]1(C(=O)Nc2nc(C(F)(F)F)n[n-]2)CCCc2ccccc21 ZINC000102889654 432000100 /nfs/dbraw/zinc/00/01/00/432000100.db2.gz CRNZAHWZWGHVKY-CQSZACIVSA-N -1 3 324.306 3.056 10 0 DGAEHM Cc1cc(=O)[n-]c([C@H](C)N2C[C@@H](C)O[C@H](c3ccsc3)C2)n1 ZINC000248773277 432318585 /nfs/dbraw/zinc/31/85/85/432318585.db2.gz TVONSILQWCSIDO-DYEKYZERSA-N -1 3 319.430 3.075 10 0 DGAEHM Cc1cc(=O)[n-]c([C@H](C)N2CC[C@H](C(F)(F)F)C(C)(C)C2)n1 ZINC000192811729 432416246 /nfs/dbraw/zinc/41/62/46/432416246.db2.gz ILILNYJSQSDUEV-QWRGUYRKSA-N -1 3 317.355 3.462 10 0 DGAEHM Cc1cc(=O)[n-]c([C@@H](C)N2CC[C@H](C(F)(F)F)C(C)(C)C2)n1 ZINC000192811710 432417149 /nfs/dbraw/zinc/41/71/49/432417149.db2.gz ILILNYJSQSDUEV-MNOVXSKESA-N -1 3 317.355 3.462 10 0 DGAEHM CN(C)C[C@@H](NC(=O)c1ccc([O-])c(Cl)c1)c1ccccc1 ZINC000154215850 432483654 /nfs/dbraw/zinc/48/36/54/432483654.db2.gz SEGMSAHLQBDXCZ-OAHLLOKOSA-N -1 3 318.804 3.078 10 0 DGAEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@H](C)CC(C)C)cc2)n1 ZINC000185273216 432486319 /nfs/dbraw/zinc/48/63/19/432486319.db2.gz YKNWBPHCYRTLNH-GFCCVEGCSA-N -1 3 313.401 3.366 10 0 DGAEHM O=C(c1ccc2c(c1[O-])CCCC2)N(Cc1ccncc1)C1CC1 ZINC000185430225 432499444 /nfs/dbraw/zinc/49/94/44/432499444.db2.gz SWIONTPPNFRLFC-UHFFFAOYSA-N -1 3 322.408 3.471 10 0 DGAEHM COC(=O)c1ccc(NC(=O)c2cc(C)ccc2[O-])c(Cl)c1 ZINC000218605331 432660843 /nfs/dbraw/zinc/66/08/43/432660843.db2.gz QRYCHWXLYPCVFG-UHFFFAOYSA-N -1 3 319.744 3.393 10 0 DGAEHM CC(C)[C@@H](C)NC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000187502439 432666592 /nfs/dbraw/zinc/66/65/92/432666592.db2.gz HODXDJWCSVWGBB-CYBMUJFWSA-N -1 3 311.381 3.398 10 0 DGAEHM CCc1ccc([C@H]2CCCCN2C(=O)c2cccc3[n-]nnc32)o1 ZINC000188139036 432708448 /nfs/dbraw/zinc/70/84/48/432708448.db2.gz HXPKUQSJTALYBY-OAHLLOKOSA-N -1 3 324.384 3.481 10 0 DGAEHM CCc1ccc([C@H]2CCCCN2C(=O)c2cccc3nn[n-]c32)o1 ZINC000188139036 432708453 /nfs/dbraw/zinc/70/84/53/432708453.db2.gz HXPKUQSJTALYBY-OAHLLOKOSA-N -1 3 324.384 3.481 10 0 DGAEHM CCc1ccc([C@H]2CCCCN2C(=O)c2cccc3n[n-]nc32)o1 ZINC000188139036 432708459 /nfs/dbraw/zinc/70/84/59/432708459.db2.gz HXPKUQSJTALYBY-OAHLLOKOSA-N -1 3 324.384 3.481 10 0 DGAEHM Cc1ccc(NC(=O)c2csc(C(F)(F)F)n2)c([O-])c1 ZINC000188911415 432752148 /nfs/dbraw/zinc/75/21/48/432752148.db2.gz JZKUZXLXVCOFQX-UHFFFAOYSA-N -1 3 302.277 3.428 10 0 DGAEHM Cc1ccc2c(c1)CN(C(=O)c1c[n-]c3c(C)cccc3c1=O)C2 ZINC000361321498 433103267 /nfs/dbraw/zinc/10/32/67/433103267.db2.gz OKGVYHBKQZBFRJ-UHFFFAOYSA-N -1 3 318.376 3.301 10 0 DGAEHM COCc1csc([N-]C(=O)c2c(F)c(F)cc(F)c2F)n1 ZINC000177861873 293324768 /nfs/dbraw/zinc/32/47/68/293324768.db2.gz NWAKKGJRDUBMBZ-UHFFFAOYSA-N -1 3 320.267 3.098 10 0 DGAEHM O=C(N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1)c1cccc([O-])c1 ZINC000357349472 433965938 /nfs/dbraw/zinc/96/59/38/433965938.db2.gz SHGMTTCYQRTQRR-SJORKVTESA-N -1 3 315.344 3.181 10 0 DGAEHM CSc1cc2c(cc1NC(=O)c1cccc([O-])c1)OCCO2 ZINC000357436587 434015616 /nfs/dbraw/zinc/01/56/16/434015616.db2.gz WPQMDCSEZGQMMZ-UHFFFAOYSA-N -1 3 317.366 3.138 10 0 DGAEHM CO[C@H](C)[C@H](C)NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000436864679 434142768 /nfs/dbraw/zinc/14/27/68/434142768.db2.gz NSUXEQBXJRTNRW-QWHCGFSZSA-N -1 3 315.369 3.338 10 0 DGAEHM [O-]c1ccc(-c2noc(-c3coc(Br)c3)n2)cc1 ZINC000378979939 434252295 /nfs/dbraw/zinc/25/22/95/434252295.db2.gz RATNEACAMUUJCW-UHFFFAOYSA-N -1 3 307.103 3.465 10 0 DGAEHM O=C([O-])[C@@H]1CCC[C@@H]1CNCc1ccsc1Br ZINC000388751239 434338423 /nfs/dbraw/zinc/33/84/23/434338423.db2.gz OPCGGXISOBWNCM-PSASIEDQSA-N -1 3 318.236 3.101 10 0 DGAEHM CCOC(=O)c1csc(=NC[C@@H](CC)CC(F)(F)F)[n-]1 ZINC000402615601 434501666 /nfs/dbraw/zinc/50/16/66/434501666.db2.gz SPHKBTTVKBIUGM-QMMMGPOBSA-N -1 3 310.341 3.132 10 0 DGAEHM CC1(C)CCCC[C@H]1CC(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000527499487 295099182 /nfs/dbraw/zinc/09/91/82/295099182.db2.gz HPWALBSPVPVPGQ-GXTWGEPZSA-N -1 3 305.422 3.228 10 0 DGAEHM CCc1cc(OC(F)F)cc(I)c1[O-] ZINC000575656908 435039630 /nfs/dbraw/zinc/03/96/30/435039630.db2.gz WMMVLAUCHNHZRH-UHFFFAOYSA-N -1 3 314.069 3.161 10 0 DGAEHM C[C@H](NCc1cc([O-])ccc1Br)c1cscn1 ZINC000568276017 435417805 /nfs/dbraw/zinc/41/78/05/435417805.db2.gz DDUJWCJDZCLAAI-QMMMGPOBSA-N -1 3 313.220 3.462 10 0 DGAEHM COc1ccc2c(CC(=O)Nc3cc(F)ccc3[O-])coc2c1 ZINC000174885808 312766792 /nfs/dbraw/zinc/76/67/92/312766792.db2.gz MXUOIIVALCFYKB-UHFFFAOYSA-N -1 3 315.300 3.467 10 0 DGAEHM CC(C)(NC(=O)c1cc([O-])cc(Br)c1)C1CCC1 ZINC000529455324 313199059 /nfs/dbraw/zinc/19/90/59/313199059.db2.gz VANLRLOGRWLCED-UHFFFAOYSA-N -1 3 312.207 3.463 10 0 DGAEHM CC(=O)c1cccc(NC(=O)c2nc(C3CC3)oc2C)c1[O-] ZINC000565025657 315222825 /nfs/dbraw/zinc/22/28/25/315222825.db2.gz VZPUGQFWTROZSO-UHFFFAOYSA-N -1 3 300.314 3.021 10 0 DGAEHM C[C@@H](NC(=O)c1cccc2nn[n-]c21)c1cccc(Cl)c1 ZINC000182666970 323308297 /nfs/dbraw/zinc/30/82/97/323308297.db2.gz WSHGRGMUMYWQCP-SECBINFHSA-N -1 3 300.749 3.102 10 0 DGAEHM C[C@@H](NC(=O)c1cccc2[n-]nnc21)c1cccc(Cl)c1 ZINC000182666970 323308301 /nfs/dbraw/zinc/30/83/01/323308301.db2.gz WSHGRGMUMYWQCP-SECBINFHSA-N -1 3 300.749 3.102 10 0 DGAEHM C[C@@H](NC(=O)c1cccc2n[n-]nc21)c1cccc(Cl)c1 ZINC000182666970 323308304 /nfs/dbraw/zinc/30/83/04/323308304.db2.gz WSHGRGMUMYWQCP-SECBINFHSA-N -1 3 300.749 3.102 10 0 DGAEHM C[C@@H](NC(=O)c1cccc2nn[n-]c21)c1ccc(F)c(Cl)c1 ZINC000163576976 546083370 /nfs/dbraw/zinc/08/33/70/546083370.db2.gz YCRVUZOVOAROQA-MRVPVSSYSA-N -1 3 318.739 3.241 10 0 DGAEHM C[C@@H](NC(=O)c1cccc2[n-]nnc21)c1ccc(F)c(Cl)c1 ZINC000163576976 546083373 /nfs/dbraw/zinc/08/33/73/546083373.db2.gz YCRVUZOVOAROQA-MRVPVSSYSA-N -1 3 318.739 3.241 10 0 DGAEHM C[C@@H](NC(=O)c1cccc2n[n-]nc21)c1ccc(F)c(Cl)c1 ZINC000163576976 546083378 /nfs/dbraw/zinc/08/33/78/546083378.db2.gz YCRVUZOVOAROQA-MRVPVSSYSA-N -1 3 318.739 3.241 10 0 DGAEHM COc1ccc(NC(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)c([O-])c1 ZINC000443558669 546835425 /nfs/dbraw/zinc/83/54/25/546835425.db2.gz MOWMZSNTDHZKDD-YPMHNXCESA-N -1 3 319.307 3.421 10 0 DGAEHM O=C(NCc1nccn1C(F)F)c1cc([O-])c2ccccc2c1 ZINC000471894727 546902490 /nfs/dbraw/zinc/90/24/90/546902490.db2.gz DXRFBBOXBIFUBE-UHFFFAOYSA-N -1 3 317.295 3.067 10 0 DGAEHM C[C@@H]([N-]C(=O)C(F)(F)C1(O)CCC1)c1ccc(F)c(Cl)c1 ZINC000138575086 627182701 /nfs/dbraw/zinc/18/27/01/627182701.db2.gz GYOBVSVZLDLRQS-MRVPVSSYSA-N -1 3 321.726 3.207 10 0 DGAEHM C[C@@H](NCc1cscn1)c1ccc(Br)cc1[O-] ZINC000185246710 660211483 /nfs/dbraw/zinc/21/14/83/660211483.db2.gz VEVJWNJUPGSPKU-MRVPVSSYSA-N -1 3 313.220 3.462 10 0 DGAEHM O=C(c1cc([O-])ccc1Cl)N1CC[C@@H](c2nccs2)C1 ZINC000710495477 660932783 /nfs/dbraw/zinc/93/27/83/660932783.db2.gz YVFSFGRRZIAVSM-SECBINFHSA-N -1 3 308.790 3.132 10 0 DGAEHM CC(C)(C)c1nc(CNC[C@@H]2CCCC[C@@H]2C(=O)[O-])cs1 ZINC000089438720 655672061 /nfs/dbraw/zinc/67/20/61/655672061.db2.gz GKZQTFLSLBGYSX-AAEUAGOBSA-N -1 3 310.463 3.421 10 0 DGAEHM C[C@H](c1ccccc1Br)N1CC[C@H]2[C@@H](C1)[C@H]2C(=O)[O-] ZINC000721214001 658686150 /nfs/dbraw/zinc/68/61/50/658686150.db2.gz WIWZBVMWOQWNEB-LEKOTGGOSA-N -1 3 324.218 3.163 10 0 DGAEHM CO[C@@H](C)c1cccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)c1 ZINC000171012763 659255012 /nfs/dbraw/zinc/25/50/12/659255012.db2.gz HRCNBLKDWTXERQ-OOIIIRTPSA-N -1 3 322.364 3.117 10 0 DGAEHM C[C@@H](CC(=O)[O-])NCc1cccc(Cl)c1Br ZINC000720127739 662302761 /nfs/dbraw/zinc/30/27/61/662302761.db2.gz KNLHNELACNDOKA-ZETCQYMHSA-N -1 3 306.587 3.055 10 0 DGAEHM Cc1oc(C(=O)[O-])cc1CNC(C)(C)COCc1ccccc1 ZINC000389942663 685198465 /nfs/dbraw/zinc/19/84/65/685198465.db2.gz IEPIUMQICVKPJG-UHFFFAOYSA-N -1 3 317.385 3.371 10 0 DGAEHM O=C(Nc1ccc(Cl)cc1[O-])[C@@H]1CC(=O)Nc2ccccc21 ZINC000179641355 1204317972 /nfs/dbraw/zinc/31/79/72/1204317972.db2.gz DDVHMEUOEPNKGG-LLVKDONJSA-N -1 3 316.744 3.110 10 0 DGAEHM CC1(C(=O)[O-])CCN(Cc2ccccc2Br)CC1 ZINC000062844440 432003729 /nfs/dbraw/zinc/00/37/29/432003729.db2.gz GDYONURWJPPRNX-UHFFFAOYSA-N -1 3 312.207 3.136 10 0 DGAEHM Cc1ccc([C@@H](C)[N-]S(=O)(=O)c2cc(F)ccc2Cl)o1 ZINC000103152567 432004505 /nfs/dbraw/zinc/00/45/05/432004505.db2.gz PPQPXMBNBUSUCE-SECBINFHSA-N -1 3 317.769 3.420 10 0 DGAEHM CC(C)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1[O-] ZINC000008907881 190632840 /nfs/dbraw/zinc/63/28/40/190632840.db2.gz GMYWDXUWHQQVFZ-UHFFFAOYSA-N -1 3 304.371 3.301 10 0 DGAEHM CCC(=O)Nc1ccc(NC(=O)c2cccc(OC)c2[O-])cc1 ZINC000131298464 432035157 /nfs/dbraw/zinc/03/51/57/432035157.db2.gz ZAASOMFBQOCLTB-UHFFFAOYSA-N -1 3 314.341 3.002 10 0 DGAEHM CC[C@H](c1ccc(Br)cc1)N1CCC[C@@H]1C(=O)[O-] ZINC000003743252 181044738 /nfs/dbraw/zinc/04/47/38/181044738.db2.gz JDKZIQWEGKZRSN-CHWSQXEVSA-N -1 3 312.207 3.449 10 0 DGAEHM CCCN(C[C@H]1CCCCO1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000163662954 432040006 /nfs/dbraw/zinc/04/00/06/432040006.db2.gz GNSDLENLDKSPTJ-CQSZACIVSA-N -1 3 324.396 3.022 10 0 DGAEHM O=C(/C=C/c1cncc([O-])c1)N1CC=C(c2cccs2)CC1 ZINC000179506444 432061103 /nfs/dbraw/zinc/06/11/03/432061103.db2.gz CGSIJKVGTSQVOT-ONEGZZNKSA-N -1 3 312.394 3.178 10 0 DGAEHM O=C(CCCc1ccc(F)c(F)c1)NCc1ccc([O-])c(F)c1 ZINC000133645512 432069329 /nfs/dbraw/zinc/06/93/29/432069329.db2.gz ZJLZHJVGGHBTBU-UHFFFAOYSA-N -1 3 323.314 3.449 10 0 DGAEHM Cc1nc([C@H]2CCCN2C(=O)c2cccc(C)c2[O-])cs1 ZINC000186996594 200044963 /nfs/dbraw/zinc/04/49/63/200044963.db2.gz QUAIEEPWPDZMRK-CQSZACIVSA-N -1 3 302.399 3.443 10 0 DGAEHM CCc1ccc(C(=O)N2CCO[C@H](c3ccsc3)C2)c([O-])c1 ZINC000188336153 200229894 /nfs/dbraw/zinc/22/98/94/200229894.db2.gz JXKWZSVSOPUGGZ-INIZCTEOSA-N -1 3 317.410 3.230 10 0 DGAEHM CCCC[C@@H](CC)CC(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000119282510 284139697 /nfs/dbraw/zinc/13/96/97/284139697.db2.gz FTCWRSLFCNOQPE-GFCCVEGCSA-N -1 3 303.410 3.355 10 0 DGAEHM CCCC[C@@H](CC)CC(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000119282510 284139699 /nfs/dbraw/zinc/13/96/99/284139699.db2.gz FTCWRSLFCNOQPE-GFCCVEGCSA-N -1 3 303.410 3.355 10 0 DGAEHM O=C(CCCC1CCCCC1)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000473849535 244352579 /nfs/dbraw/zinc/35/25/79/244352579.db2.gz LBPOMNRCXHUXEY-HNNXBMFYSA-N -1 3 305.422 3.372 10 0 DGAEHM C[C@@H]1C[C@H](CC(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)CC(C)(C)C1 ZINC000473853032 244353117 /nfs/dbraw/zinc/35/31/17/244353117.db2.gz CSRLFFPMUNSBPI-NFAWXSAZSA-N -1 3 319.449 3.474 10 0 DGAEHM COc1cccc(C(=O)Nc2ccccc2-n2ccc(C)n2)c1[O-] ZINC000126764654 284316161 /nfs/dbraw/zinc/31/61/61/284316161.db2.gz FSNHYZBHAHSQEY-UHFFFAOYSA-N -1 3 323.352 3.147 10 0 DGAEHM CC[C@H](C)C(=O)Nc1ccc(NC(=O)c2ccco2)cc1[O-] ZINC000021126105 182266163 /nfs/dbraw/zinc/26/61/63/182266163.db2.gz DCWQVCGOGOAAGO-JTQLQIEISA-N -1 3 302.330 3.222 10 0 DGAEHM C[C@H](O)C[C@H]1CCCCN1C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000279762016 299520212 /nfs/dbraw/zinc/52/02/12/299520212.db2.gz MAPMDOSZBXDSSR-DZGCQCFKSA-N -1 3 317.429 3.037 10 0 DGAEHM Cc1ccc([O-])c(C(=O)N2C[C@H](c3ccccc3)OC[C@H]2C)c1 ZINC000110315631 194321824 /nfs/dbraw/zinc/32/18/24/194321824.db2.gz XJLZRKBQOWFFBK-RDTXWAMCSA-N -1 3 311.381 3.303 10 0 DGAEHM Cc1ccc([O-])c(C(=O)N2C[C@@H](c3ccccc3)OC[C@@H]2C)c1 ZINC000110315628 194322122 /nfs/dbraw/zinc/32/21/22/194322122.db2.gz XJLZRKBQOWFFBK-KSSFIOAISA-N -1 3 311.381 3.303 10 0 DGAEHM CCN(Cc1ccccc1Br)[C@@H](C)CC(=O)[O-] ZINC000061183317 184165114 /nfs/dbraw/zinc/16/51/14/184165114.db2.gz OVHNNOJLUCRVOA-JTQLQIEISA-N -1 3 300.196 3.134 10 0 DGAEHM CCN(Cc1ccc(Br)cc1F)[C@H](C)CC(=O)[O-] ZINC000061183255 184165181 /nfs/dbraw/zinc/16/51/81/184165181.db2.gz KYFCVBFTFIVSFE-SECBINFHSA-N -1 3 318.186 3.273 10 0 DGAEHM CCC(CC)c1nnc([N-]C(=O)c2ccc(COC)o2)s1 ZINC000119720397 195026284 /nfs/dbraw/zinc/02/62/84/195026284.db2.gz SEKJNDNYHKTUAE-UHFFFAOYSA-N -1 3 309.391 3.433 10 0 DGAEHM C=C/C(C)=C/CC(=O)Nc1cc(Cl)cc(C(=O)OC)c1[O-] ZINC000588096265 400188575 /nfs/dbraw/zinc/18/85/75/400188575.db2.gz WBRCKTFHUHQUGD-WEVVVXLNSA-N -1 3 309.749 3.293 10 0 DGAEHM COc1ccc(O[C@@H](C)C(=O)Nc2ccc(C)cc2[O-])cc1 ZINC000010891053 400137305 /nfs/dbraw/zinc/13/73/05/400137305.db2.gz SLVHOAWAHPCTST-LBPRGKRZSA-N -1 3 301.342 3.115 10 0 DGAEHM CCOC(=O)c1[n-]c(C)nc1NC(=O)C[C@@H]1CCC[C@H](C)C1 ZINC000610231325 400226295 /nfs/dbraw/zinc/22/62/95/400226295.db2.gz MJIHOUIYFSHRJI-CMPLNLGQSA-N -1 3 307.394 3.050 10 0 DGAEHM CCOC(=O)c1nc(C)[n-]c1NC(=O)C[C@@H]1CCC[C@H](C)C1 ZINC000610231325 400226300 /nfs/dbraw/zinc/22/63/00/400226300.db2.gz MJIHOUIYFSHRJI-CMPLNLGQSA-N -1 3 307.394 3.050 10 0 DGAEHM O=C([O-])C1(Oc2ccccc2)CCN(Cc2ccccc2)CC1 ZINC000409429085 400301628 /nfs/dbraw/zinc/30/16/28/400301628.db2.gz HXBSYHSLOXTVFC-UHFFFAOYSA-N -1 3 311.381 3.185 10 0 DGAEHM CC(=O)c1ccc(C(=O)N2CCC(c3ccco3)CC2)cc1[O-] ZINC000617386185 400375163 /nfs/dbraw/zinc/37/51/63/400375163.db2.gz ZEAHRBHMNTUCAE-UHFFFAOYSA-N -1 3 313.353 3.208 10 0 DGAEHM O=C(NCc1ccc([O-])c(F)c1)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000132805475 400563764 /nfs/dbraw/zinc/56/37/64/400563764.db2.gz NGCBGMSKVLQKFI-NEPJUHHUSA-N -1 3 321.298 3.229 10 0 DGAEHM CCOC(=O)c1ccc2[n-]c(NC(=O)OC(C)(C)C)nc2c1 ZINC000148090513 400653728 /nfs/dbraw/zinc/65/37/28/400653728.db2.gz UBMKIASYZPEOIZ-UHFFFAOYSA-N -1 3 305.334 3.087 10 0 DGAEHM CC(=O)c1cnc([N-]C(=O)c2cc(-c3cccs3)on2)s1 ZINC000172396576 400824236 /nfs/dbraw/zinc/82/42/36/400824236.db2.gz ONAFSURVZYJOHD-UHFFFAOYSA-N -1 3 319.367 3.315 10 0 DGAEHM O=C([O-])[C@@H]1CCC[C@@H]1CNCc1c(F)ccc(F)c1Cl ZINC000630462820 401273527 /nfs/dbraw/zinc/27/35/27/401273527.db2.gz XVAVDPSDWZBPMT-RKDXNWHRSA-N -1 3 303.736 3.209 10 0 DGAEHM CC(F)(F)CCCNC(=O)c1cc([O-])cc(Br)c1 ZINC000627560571 401471342 /nfs/dbraw/zinc/47/13/42/401471342.db2.gz FUEXUKSJXIXUBT-UHFFFAOYSA-N -1 3 322.149 3.320 10 0 DGAEHM O=C(c1cc([O-])cc(Br)c1)N1CC(CC2CC2)C1 ZINC000628194919 401547965 /nfs/dbraw/zinc/54/79/65/401547965.db2.gz AZDFUQQZFMNUOC-UHFFFAOYSA-N -1 3 310.191 3.027 10 0 DGAEHM Cc1ccc([O-])c(C(=O)NCc2nc3ccccc3n2C2CC2)c1 ZINC000186266600 165035125 /nfs/dbraw/zinc/03/51/25/165035125.db2.gz FMCZIWJDFJRLMF-UHFFFAOYSA-N -1 3 321.380 3.315 10 0 DGAEHM COc1cccc(C(=O)N2CCC[C@@H]2c2cccs2)c1[O-] ZINC000194584170 165350205 /nfs/dbraw/zinc/35/02/05/165350205.db2.gz TXXSJSWRUJCIIE-GFCCVEGCSA-N -1 3 303.383 3.440 10 0 DGAEHM Cc1cc(=O)[n-]c([C@H](C)N2C[C@H](C)O[C@@H](c3ccsc3)C2)n1 ZINC000248773285 165648748 /nfs/dbraw/zinc/64/87/48/165648748.db2.gz TVONSILQWCSIDO-SGMGOOAPSA-N -1 3 319.430 3.075 10 0 DGAEHM COc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3cccc([O-])c3)C2)cc1 ZINC000182479026 432194105 /nfs/dbraw/zinc/19/41/05/432194105.db2.gz OOWJSVSMLHXCMN-CZUORRHYSA-N -1 3 311.381 3.419 10 0 DGAEHM CCO[C@@H]1C[C@@H](N(C)C(=O)c2cccc([O-])c2)C12CCCC2 ZINC000182494411 432195843 /nfs/dbraw/zinc/19/58/43/432195843.db2.gz LQGNMUXOXCZIHR-HZPDHXFCSA-N -1 3 303.402 3.202 10 0 DGAEHM CCc1cc(=O)[n-]c(-c2ccc(NC[C@@H](C)C(C)C)nc2)n1 ZINC000172615213 432223186 /nfs/dbraw/zinc/22/31/86/432223186.db2.gz PVAYBTWEULMGAP-GFCCVEGCSA-N -1 3 300.406 3.098 10 0 DGAEHM O=C(C[C@H]1CCOc2ccccc21)NCc1ccc([O-])c(F)c1 ZINC000132878118 196292865 /nfs/dbraw/zinc/29/28/65/196292865.db2.gz JCHKPTHOTGUFOD-CYBMUJFWSA-N -1 3 315.344 3.104 10 0 DGAEHM Cc1ccc(C(=O)N(C[C@H]2CCCO2)C2CCCC2)c([O-])c1 ZINC000174540086 228291530 /nfs/dbraw/zinc/29/15/30/228291530.db2.gz MXXIEJWVMJIIPT-OAHLLOKOSA-N -1 3 303.402 3.264 10 0 DGAEHM Cc1ccc(C(=O)N2CC3(CCCC3)OC(C)(C)C2)c([O-])c1 ZINC000189949788 228497215 /nfs/dbraw/zinc/49/72/15/228497215.db2.gz METXBJLFWBJUMZ-UHFFFAOYSA-N -1 3 303.402 3.264 10 0 DGAEHM C[C@H]1C[C@@H](C(=O)Nc2nnc(C(F)(F)F)[n-]2)CC(C)(C)C1 ZINC000183082909 432256946 /nfs/dbraw/zinc/25/69/46/432256946.db2.gz GBKIJRLPWVXZEJ-JGVFFNPUSA-N -1 3 304.316 3.224 10 0 DGAEHM C[C@H]1C[C@@H](C(=O)Nc2nc(C(F)(F)F)n[n-]2)CC(C)(C)C1 ZINC000183082909 432256951 /nfs/dbraw/zinc/25/69/51/432256951.db2.gz GBKIJRLPWVXZEJ-JGVFFNPUSA-N -1 3 304.316 3.224 10 0 DGAEHM O=S(=O)([N-]C[C@H]1C[C@@H]1c1ccccc1)c1cc(F)cc(F)c1 ZINC000111358647 431216352 /nfs/dbraw/zinc/21/63/52/431216352.db2.gz USWGDJMPJUQOEE-MLGOLLRUSA-N -1 3 323.364 3.047 10 0 DGAEHM CC1(C)CCCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C1 ZINC000112702849 431299325 /nfs/dbraw/zinc/29/93/25/431299325.db2.gz FSFJYNKPLJQIKM-UHFFFAOYSA-N -1 3 311.385 3.291 10 0 DGAEHM COCc1csc([N-]C(=O)c2cc(-c3ccccc3)no2)n1 ZINC000115243264 431443052 /nfs/dbraw/zinc/44/30/52/431443052.db2.gz TYHUZAWZKITYRS-UHFFFAOYSA-N -1 3 315.354 3.197 10 0 DGAEHM CSc1ccc(C(=O)[N-]c2ncnc3oc(C)c(C)c32)o1 ZINC000118199112 431590247 /nfs/dbraw/zinc/59/02/47/431590247.db2.gz LPTFIHYQZOZXSY-UHFFFAOYSA-N -1 3 303.343 3.407 10 0 DGAEHM COc1cc(C(=O)NC2CCC(C)(C)CC2)cc(OC)c1[O-] ZINC000119243316 431665952 /nfs/dbraw/zinc/66/59/52/431665952.db2.gz DATLQGDETIWTNJ-UHFFFAOYSA-N -1 3 307.390 3.108 10 0 DGAEHM CCc1cc(=O)[n-]c(CN2CCCC[C@@H]2c2ccc(C)o2)n1 ZINC000121459862 431789731 /nfs/dbraw/zinc/78/97/31/431789731.db2.gz KTRXNIUXQQCRFN-CQSZACIVSA-N -1 3 301.390 3.373 10 0 DGAEHM Cc1c(Cl)cccc1NCc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000090371044 431891619 /nfs/dbraw/zinc/89/16/19/431891619.db2.gz YDFURWPSOJJQEL-UHFFFAOYSA-N -1 3 317.698 3.363 10 0 DGAEHM C[C@@H]1C[C@H](N(C)C(=O)c2cc3ccccc3cc2[O-])CCN1C ZINC000124513565 431896201 /nfs/dbraw/zinc/89/62/01/431896201.db2.gz PPYJBEFAZNPQSC-CZUORRHYSA-N -1 3 312.413 3.100 10 0 DGAEHM Cc1csc([C@@H]2CCCN(C(=O)c3cc(C)ccc3[O-])C2)n1 ZINC000173752012 432297966 /nfs/dbraw/zinc/29/79/66/432297966.db2.gz ALZAHZFAFBMWED-CYBMUJFWSA-N -1 3 316.426 3.485 10 0 DGAEHM C[C@H]1CCN(C(=O)c2ccc3n[n-]nc3c2)[C@@H]1c1cccc(F)c1 ZINC000174434815 432347805 /nfs/dbraw/zinc/34/78/05/432347805.db2.gz DSKCXXQYEUIADE-GTNSWQLSSA-N -1 3 324.359 3.320 10 0 DGAEHM Cc1ccccc1-c1nc(C[S@@](=O)c2cccc([O-])c2)no1 ZINC000184067113 432351818 /nfs/dbraw/zinc/35/18/18/432351818.db2.gz LTXDPPFODZJPFS-JOCHJYFZSA-N -1 3 314.366 3.058 10 0 DGAEHM O=[S@](Cc1ncc(-c2cccc(F)c2)o1)c1cccc([O-])c1 ZINC000184068881 432352073 /nfs/dbraw/zinc/35/20/73/432352073.db2.gz JUQIUYJBVPAKPO-JOCHJYFZSA-N -1 3 317.341 3.494 10 0 DGAEHM Cc1csc([C@@H]2CCCN([C@H](C)c3nc(C)cc(=O)[n-]3)C2)n1 ZINC000248729121 432314973 /nfs/dbraw/zinc/31/49/73/432314973.db2.gz IYJWRLKFWAIRER-CHWSQXEVSA-N -1 3 318.446 3.196 10 0 DGAEHM COc1cccc(F)c1[C@H](C)N[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000192737996 432407685 /nfs/dbraw/zinc/40/76/85/432407685.db2.gz IGLWNOAKUDKTBS-WDEREUQCSA-N -1 3 305.353 3.050 10 0 DGAEHM Cc1oc2ccccc2c1C(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000184533853 432403605 /nfs/dbraw/zinc/40/36/05/432403605.db2.gz MKZZLESPPMPWHI-UHFFFAOYSA-N -1 3 319.324 3.174 10 0 DGAEHM Cc1oc2ccccc2c1C(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000184533853 432403608 /nfs/dbraw/zinc/40/36/08/432403608.db2.gz MKZZLESPPMPWHI-UHFFFAOYSA-N -1 3 319.324 3.174 10 0 DGAEHM Cc1oc2ccccc2c1C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000184533853 432403612 /nfs/dbraw/zinc/40/36/12/432403612.db2.gz MKZZLESPPMPWHI-UHFFFAOYSA-N -1 3 319.324 3.174 10 0 DGAEHM COc1ccc([O-])c(C(=O)NCc2ccc(C(F)F)cc2)c1 ZINC000184555136 432405057 /nfs/dbraw/zinc/40/50/57/432405057.db2.gz BGNYWWNMMZLMON-UHFFFAOYSA-N -1 3 307.296 3.268 10 0 DGAEHM COc1ccc(C(=O)NCc2ccc(C(F)F)cc2)c([O-])c1 ZINC000184607901 432411295 /nfs/dbraw/zinc/41/12/95/432411295.db2.gz LVEVVBQRYHHZEU-UHFFFAOYSA-N -1 3 307.296 3.268 10 0 DGAEHM CN(C)C[C@H](NC(=O)c1ccc([O-])c(Cl)c1)c1ccccc1 ZINC000154215734 432483194 /nfs/dbraw/zinc/48/31/94/432483194.db2.gz SEGMSAHLQBDXCZ-HNNXBMFYSA-N -1 3 318.804 3.078 10 0 DGAEHM CC(C)[C@H]1C[C@H]1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000185090451 432465768 /nfs/dbraw/zinc/46/57/68/432465768.db2.gz NIYPTDUYJSULMA-GHMZBOCLSA-N -1 3 312.207 3.063 10 0 DGAEHM COc1cccc(Cl)c1CC(=O)NCc1ccc([O-])c(F)c1 ZINC000154058606 432468573 /nfs/dbraw/zinc/46/85/73/432468573.db2.gz BGUVOCDNTYBSMH-UHFFFAOYSA-N -1 3 323.751 3.052 10 0 DGAEHM COc1cccc(C(=O)N2CCC(OCCC(C)C)CC2)c1[O-] ZINC000193359012 432469052 /nfs/dbraw/zinc/46/90/52/432469052.db2.gz WIUFJHWLWUPPBZ-UHFFFAOYSA-N -1 3 321.417 3.068 10 0 DGAEHM CC(F)(F)c1cccc(NC(=O)c2ccc3n[n-]nc3c2)c1 ZINC000187346147 432659914 /nfs/dbraw/zinc/65/99/14/432659914.db2.gz BUXUJTSWXZIKMJ-UHFFFAOYSA-N -1 3 302.284 3.322 10 0 DGAEHM O=C(Nc1nnc(-c2ccco2)[n-]1)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000163521883 432855225 /nfs/dbraw/zinc/85/52/25/432855225.db2.gz UEYRMFCUYVETOV-VXGBXAGGSA-N -1 3 300.362 3.220 10 0 DGAEHM O=C(Nc1nc(-c2ccco2)n[n-]1)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000163521883 432855227 /nfs/dbraw/zinc/85/52/27/432855227.db2.gz UEYRMFCUYVETOV-VXGBXAGGSA-N -1 3 300.362 3.220 10 0 DGAEHM O=C(Nc1n[n-]c(-c2ccco2)n1)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000163521883 432855229 /nfs/dbraw/zinc/85/52/29/432855229.db2.gz UEYRMFCUYVETOV-VXGBXAGGSA-N -1 3 300.362 3.220 10 0 DGAEHM CC(=O)c1ccc(C(=O)N(C)Cc2cc(C)ccc2C)cc1[O-] ZINC000412305332 433145249 /nfs/dbraw/zinc/14/52/49/433145249.db2.gz PXOGCLWUSMPVBO-UHFFFAOYSA-N -1 3 311.381 3.484 10 0 DGAEHM O=C(c1cc([O-])c2ccccc2c1)N1CCC[C@@H]1c1cc[nH]n1 ZINC000376141614 293619321 /nfs/dbraw/zinc/61/93/21/293619321.db2.gz NMSJUVGSEKENLC-MRXNPFEDSA-N -1 3 307.353 3.246 10 0 DGAEHM Cc1cccc(C(=O)NC[C@H](C)COCc2ccccc2)c1[O-] ZINC000302941234 433907271 /nfs/dbraw/zinc/90/72/71/433907271.db2.gz BQYWGXUVNHWLAQ-AWEZNQCLSA-N -1 3 313.397 3.283 10 0 DGAEHM O=C(N[C@H]1CCCOc2ccc(F)cc21)c1cccc([O-])c1 ZINC000357345082 433964591 /nfs/dbraw/zinc/96/45/91/433964591.db2.gz JFKQXJKVALYRSZ-HNNXBMFYSA-N -1 3 301.317 3.175 10 0 DGAEHM CC(=O)c1ccc2c(c1)CCN(C(=O)c1ccc(C)cc1[O-])CC2 ZINC000363159617 433984781 /nfs/dbraw/zinc/98/47/81/433984781.db2.gz RAEZJLJJXCSKRO-UHFFFAOYSA-N -1 3 323.392 3.144 10 0 DGAEHM COC[C@](C)(NC(=O)c1ccc(C(C)C)cc1[O-])C(F)(F)F ZINC000436576340 434017067 /nfs/dbraw/zinc/01/70/67/434017067.db2.gz QNXXGBOHAUGTRY-AWEZNQCLSA-N -1 3 319.323 3.213 10 0 DGAEHM O=C(N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1)c1cccc([O-])c1 ZINC000437369609 293933523 /nfs/dbraw/zinc/93/35/23/293933523.db2.gz NYVZRANIZPTFLC-SWLSCSKDSA-N -1 3 305.736 3.471 10 0 DGAEHM Cc1cccnc1[C@H](NCc1cc(=O)[n-]c(C2CC2)n1)C(C)C ZINC000459376691 293967940 /nfs/dbraw/zinc/96/79/40/293967940.db2.gz LPGHQNBSRWCXMI-MRXNPFEDSA-N -1 3 312.417 3.250 10 0 DGAEHM C[C@@H](C1CC1)N(Cc1oncc1C(=O)[O-])Cc1ccccc1 ZINC000385208163 434298556 /nfs/dbraw/zinc/29/85/56/434298556.db2.gz VOLJGADKBGFCHV-LBPRGKRZSA-N -1 3 300.358 3.174 10 0 DGAEHM O=C([O-])[C@H]1CCC[C@@H](NCc2ccsc2Br)C1 ZINC000388544455 434336603 /nfs/dbraw/zinc/33/66/03/434336603.db2.gz FFBVNYMANJYBSU-WCBMZHEXSA-N -1 3 318.236 3.244 10 0 DGAEHM C[C@@H]1CN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)CCS1 ZINC000329013312 434344661 /nfs/dbraw/zinc/34/46/61/434344661.db2.gz PHMPPIKGOGQRRL-SNVBAGLBSA-N -1 3 315.398 3.019 10 0 DGAEHM Cc1cccc2c(=O)c(C(=O)N3CCCC[C@H]3C(F)F)c[n-]c12 ZINC000407970632 434532158 /nfs/dbraw/zinc/53/21/58/434532158.db2.gz LFBGEGWKMXLLKZ-ZDUSSCGKSA-N -1 3 320.339 3.096 10 0 DGAEHM CC(=O)c1ccc(C(=O)N[C@@H]2c3ccccc3C[C@H]2C)cc1[O-] ZINC000412105230 434865516 /nfs/dbraw/zinc/86/55/16/434865516.db2.gz CNMAYAJLUCDLCQ-ZMZPIMSZSA-N -1 3 309.365 3.258 10 0 DGAEHM CC(C)[C@@H]1N(C(=O)c2cc(=O)[n-]c(C3CC3)n2)CC12CCCC2 ZINC000579023885 435127587 /nfs/dbraw/zinc/12/75/87/435127587.db2.gz CKLFCRZGBOQZCX-HNNXBMFYSA-N -1 3 315.417 3.100 10 0 DGAEHM CN(C)[C@@H](CNC(=O)c1cccc([O-])c1)c1ccc(Cl)cc1 ZINC000541890130 314046338 /nfs/dbraw/zinc/04/63/38/314046338.db2.gz KFWALXPORHWAGG-INIZCTEOSA-N -1 3 318.804 3.078 10 0 DGAEHM CCc1ccc([O-])c(C(=O)N[C@@H](COC)c2ccc(F)cc2)c1 ZINC000560628248 314938024 /nfs/dbraw/zinc/93/80/24/314938024.db2.gz RJEQOQFVSFKVSG-INIZCTEOSA-N -1 3 317.360 3.211 10 0 DGAEHM CCC(CC)c1nnc([N-]C(=O)c2cn3ccnc3s2)s1 ZINC000188145505 323422093 /nfs/dbraw/zinc/42/20/93/323422093.db2.gz OFBNLRGKKYLNMF-UHFFFAOYSA-N -1 3 321.431 3.403 10 0 DGAEHM CCc1cccc(C(=O)Nc2ccc3ccc(=O)n(C)c3c2)c1[O-] ZINC000584565993 337362244 /nfs/dbraw/zinc/36/22/44/337362244.db2.gz VCTVLFLSEUXMBQ-UHFFFAOYSA-N -1 3 322.364 3.059 10 0 DGAEHM CC(C)CO[C@@H]1CCN(C(=O)c2ccc3c(c2[O-])CCCC3)C1 ZINC000183197107 528129268 /nfs/dbraw/zinc/12/92/68/528129268.db2.gz TVBXELIDVIVWNU-OAHLLOKOSA-N -1 3 317.429 3.158 10 0 DGAEHM CC(C)CO[C@H]1CCN(C(=O)c2ccc3c(c2[O-])CCCC3)C1 ZINC000183197126 528140262 /nfs/dbraw/zinc/14/02/62/528140262.db2.gz TVBXELIDVIVWNU-HNNXBMFYSA-N -1 3 317.429 3.158 10 0 DGAEHM CCC[C@@H](C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1ccccc1 ZINC000473853672 535313912 /nfs/dbraw/zinc/31/39/12/535313912.db2.gz WUEADAOPFACBBP-ZBFHGGJFSA-N -1 3 313.401 3.206 10 0 DGAEHM O=C(Nc1cccc([O-])c1F)c1coc(Br)c1 ZINC000129283480 545941661 /nfs/dbraw/zinc/94/16/61/545941661.db2.gz UERJHVRWMOJWHH-UHFFFAOYSA-N -1 3 300.083 3.139 10 0 DGAEHM NC(=O)c1ccc(F)c(NC(=O)c2cc([O-])c3ccccc3c2)c1 ZINC000471756769 546901435 /nfs/dbraw/zinc/90/14/35/546901435.db2.gz QAWSHJKCTMRPJF-UHFFFAOYSA-N -1 3 324.311 3.036 10 0 DGAEHM CCOc1ncccc1CNC(=O)c1cc([O-])c2ccccc2c1 ZINC000471692008 546901847 /nfs/dbraw/zinc/90/18/47/546901847.db2.gz FSKMWMQHBXJPBW-UHFFFAOYSA-N -1 3 322.364 3.269 10 0 DGAEHM CC(C)CCOCCNC(=O)c1cc([O-])c2ccccc2c1 ZINC000525921991 546967676 /nfs/dbraw/zinc/96/76/76/546967676.db2.gz YLDJDANAEGDVLM-UHFFFAOYSA-N -1 3 301.386 3.338 10 0 DGAEHM CO[C@@H](CNC(=O)c1cc([O-])c2ccccc2c1)C(C)(C)C ZINC000527457750 546970969 /nfs/dbraw/zinc/97/09/69/546970969.db2.gz QUHZLRFXKSKHHG-INIZCTEOSA-N -1 3 301.386 3.336 10 0 DGAEHM CC(=O)Nc1ccc(OC(=O)c2c(C)[n-]nc2C(C)C)cc1 ZINC000136176892 627047557 /nfs/dbraw/zinc/04/75/57/627047557.db2.gz MNHWDPMFIJAMAH-UHFFFAOYSA-N -1 3 301.346 3.019 10 0 DGAEHM CC(=O)Nc1ccc(OC(=O)c2c(C)n[n-]c2C(C)C)cc1 ZINC000136176892 627047559 /nfs/dbraw/zinc/04/75/59/627047559.db2.gz MNHWDPMFIJAMAH-UHFFFAOYSA-N -1 3 301.346 3.019 10 0 DGAEHM CCOc1cc(/C=C(/C#N)C(=O)c2cccc(C#N)c2)ccc1[O-] ZINC000092851510 655653650 /nfs/dbraw/zinc/65/36/50/655653650.db2.gz OXOBFXWVSSXECN-PXNMLYILSA-N -1 3 318.332 3.452 10 0 DGAEHM CCCCc1cc([N-]S(=O)(=O)C=Cc2ccc(F)cc2)n[nH]1 ZINC000255386815 655724114 /nfs/dbraw/zinc/72/41/14/655724114.db2.gz JFXKQPZGVQXTPI-KTKRTIGZSA-N -1 3 323.393 3.304 10 0 DGAEHM C[C@H]1C[C@H](C(=O)[O-])CN(Cc2ncc(-c3cccc(F)c3)o2)C1 ZINC000263358386 658207327 /nfs/dbraw/zinc/20/73/27/658207327.db2.gz RKWDQVMNYFUQKU-AAEUAGOBSA-N -1 3 318.348 3.023 10 0 DGAEHM CN(Cc1ccc(F)cc1Cl)C(=O)c1cccc(O)c1[O-] ZINC000193041641 658311814 /nfs/dbraw/zinc/31/18/14/658311814.db2.gz BLEDIUQEFKITOR-UHFFFAOYSA-N -1 3 309.724 3.163 10 0 DGAEHM C[C@@H](c1cccc(Br)c1)N1CC[C@H]2[C@@H](C1)[C@H]2C(=O)[O-] ZINC000721211540 658682728 /nfs/dbraw/zinc/68/27/28/658682728.db2.gz LUQNJVNIEIABSL-WTDIUWLJSA-N -1 3 324.218 3.163 10 0 DGAEHM COc1cc(F)ccc1[N-]S(=O)(=O)/C=C\c1ccccc1 ZINC000056696786 658981324 /nfs/dbraw/zinc/98/13/24/658981324.db2.gz NFIFXAHRHBGMNU-KTKRTIGZSA-N -1 3 307.346 3.247 10 0 DGAEHM C[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)CC1 ZINC000380528150 1176873686 /nfs/dbraw/zinc/87/36/86/1176873686.db2.gz KBAFYASNVHDDQC-VHSXEESVSA-N -1 3 320.817 3.121 10 0 DGAEHM C[C@H]1CCCC[C@@]1(C)[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000308729836 1199705632 /nfs/dbraw/zinc/70/56/32/1199705632.db2.gz RUOSERJPAFPAPF-TVQRCGJNSA-N -1 3 320.817 3.121 10 0 DGAEHM