smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H]([NH2+]C[C@H](O)COc1cccc(F)c1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593245773 994440536 /nfs/dbraw/zinc/44/05/36/994440536.db2.gz BVONKEXCYPLOFG-FZMZJTMJSA-N -1 3 349.358 2.320 20 10 EECDHM C[C@H]([NH2+]CCN1C[C@@H]2CCCCN2C1=O)c1cc(C(=O)[O-])ccc1[O-] ZINC001593268982 994596924 /nfs/dbraw/zinc/59/69/24/994596924.db2.gz YFCFVXLBUVLVMC-JSGCOSHPSA-N -1 3 347.415 2.031 20 10 EECDHM O=C(CN(Cc1ccccc1[O-])C[C@@H]1CCCO1)NC1CCCC1 ZINC000069739465 203042782 /nfs/dbraw/zinc/04/27/82/203042782.db2.gz YJVCAZKYWBEJMS-KRWDZBQOSA-N -1 3 332.444 2.432 20 10 EECDHM CCCOc1ccc(CN(CC)[C@H]2CCS(=O)(=O)C2)c([O-])c1 ZINC000160574521 463351902 /nfs/dbraw/zinc/35/19/02/463351902.db2.gz MYTTYCJRMIHUOI-AWEZNQCLSA-N -1 3 327.446 2.190 20 10 EECDHM CCN(Cc1cc(Br)ccc1[O-])S(=O)(=O)C1CC1 ZINC000123898813 463377164 /nfs/dbraw/zinc/37/71/64/463377164.db2.gz VFZMTZNHLGQYLQ-UHFFFAOYSA-N -1 3 334.235 2.469 20 10 EECDHM COc1cccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])c1[O-] ZINC000289569792 464085011 /nfs/dbraw/zinc/08/50/11/464085011.db2.gz ZPGNSBRYXJOSLF-UHFFFAOYSA-N -1 3 334.328 2.313 20 10 EECDHM CC[C@@H](NC(=O)c1cccc(O)c1[O-])c1nnc2n1CCCCC2 ZINC000279423279 464102811 /nfs/dbraw/zinc/10/28/11/464102811.db2.gz YMFKCQRPJQTRPV-GFCCVEGCSA-N -1 3 330.388 2.297 20 10 EECDHM CS(=O)(=O)N1CCN(Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000271028324 464276897 /nfs/dbraw/zinc/27/68/97/464276897.db2.gz GERWLNNTANCHQO-UHFFFAOYSA-N -1 3 346.452 2.136 20 10 EECDHM C[C@@H]1CCC[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000189461491 464509993 /nfs/dbraw/zinc/50/99/93/464509993.db2.gz JHSGEGIXPCRXAL-NEPJUHHUSA-N -1 3 340.445 2.462 20 10 EECDHM C[C@H](NCC1(S(C)(=O)=O)CCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000285617031 464631086 /nfs/dbraw/zinc/63/10/86/464631086.db2.gz JODWRLLQWDAZFU-NSHDSACASA-N -1 3 342.417 2.308 20 10 EECDHM COc1ccccc1CN(CCO)C(=O)c1ccc(C)c(O)c1[O-] ZINC000272766503 464687829 /nfs/dbraw/zinc/68/78/29/464687829.db2.gz RGURKXNVEHZNBP-UHFFFAOYSA-N -1 3 331.368 2.050 20 10 EECDHM CCCOc1ccc(CN2C[C@H](O)C[C@@H]2c2nc(C)no2)c([O-])c1 ZINC000275698662 464784609 /nfs/dbraw/zinc/78/46/09/464784609.db2.gz XLTGDUWEISXPTH-UKRRQHHQSA-N -1 3 333.388 2.180 20 10 EECDHM C[C@@H](CNC(=O)c1c(F)ccc(O)c1[O-])N1CCc2ccccc2C1 ZINC000276535520 464971190 /nfs/dbraw/zinc/97/11/90/464971190.db2.gz IDQUPEVGAQCLHS-LBPRGKRZSA-N -1 3 344.386 2.414 20 10 EECDHM COc1cc(Cl)cc(CN2CCS(=O)(=O)[C@H](C)[C@@H]2C)c1[O-] ZINC000184696484 465019118 /nfs/dbraw/zinc/01/91/18/465019118.db2.gz MJYWHLGUUJNRRO-VHSXEESVSA-N -1 3 333.837 2.062 20 10 EECDHM COc1cc(Cl)cc(CN(C)[C@H](C)[C@@H](C)S(C)(=O)=O)c1[O-] ZINC000184694384 465019484 /nfs/dbraw/zinc/01/94/84/465019484.db2.gz UDALOKNQPLMDFJ-NXEZZACHSA-N -1 3 335.853 2.308 20 10 EECDHM COc1cc(Cl)cc(CN(CCS(C)(=O)=O)C(C)C)c1[O-] ZINC000184699567 465019735 /nfs/dbraw/zinc/01/97/35/465019735.db2.gz GDNCQPGWKNQYSC-UHFFFAOYSA-N -1 3 335.853 2.309 20 10 EECDHM CC(=O)c1cc(F)cc(CN2CCc3ccccc3[C@@H]2C(N)=O)c1[O-] ZINC000364228747 466689486 /nfs/dbraw/zinc/68/94/86/466689486.db2.gz ZMYUMNXQCKQLFL-QGZVFWFLSA-N -1 3 342.370 2.319 20 10 EECDHM CC[C@@H](NC(=O)c1cc([O-])cs1)c1ccccc1OCC(=O)NC ZINC000732275111 577163302 /nfs/dbraw/zinc/16/33/02/577163302.db2.gz YCDUVMFSQDJBFY-CYBMUJFWSA-N -1 3 348.424 2.460 20 10 EECDHM [O-]c1cc2c(cc1CN1CCN(Cc3ccccc3)CC1)[C@H](O)CO2 ZINC000768438348 577555555 /nfs/dbraw/zinc/55/55/55/577555555.db2.gz RLLQHMIMHKTVAH-LJQANCHMSA-N -1 3 340.423 2.136 20 10 EECDHM [O-]c1cc2c(cc1CN1CCN(Cc3ccsc3)CC1)[C@H](O)CO2 ZINC000768442079 577555613 /nfs/dbraw/zinc/55/56/13/577555613.db2.gz OJHYXEAHUOPGID-QGZVFWFLSA-N -1 3 346.452 2.197 20 10 EECDHM CCc1nsc(N2CCN(Cc3c([O-])cccc3OC)CC2)n1 ZINC000769485402 577579065 /nfs/dbraw/zinc/57/90/65/577579065.db2.gz QRJBXAVISLQPAD-UHFFFAOYSA-N -1 3 334.445 2.137 20 10 EECDHM CC(=O)c1cc(F)cc(CN(C)CCCNC(=O)C2CCC2)c1[O-] ZINC000759998681 577655671 /nfs/dbraw/zinc/65/56/71/577655671.db2.gz IDSULKCBTTXCQB-UHFFFAOYSA-N -1 3 336.407 2.472 20 10 EECDHM C[C@H](Cn1cccn1)N1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000761031951 577674561 /nfs/dbraw/zinc/67/45/61/577674561.db2.gz XFJMIHIFIDGGPR-LLVKDONJSA-N -1 3 348.790 2.095 20 10 EECDHM Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 ZINC000751142698 577748553 /nfs/dbraw/zinc/74/85/53/577748553.db2.gz KKLDEPMQIFLFTK-UHFFFAOYSA-N -1 3 330.365 2.343 20 10 EECDHM C[C@H](N[C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)c1ccc(F)cc1[O-] ZINC000756837041 577850875 /nfs/dbraw/zinc/85/08/75/577850875.db2.gz FIXAAHPLQOAOQX-ZIBATOQPSA-N -1 3 332.379 2.109 20 10 EECDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2cccc(C(N)=O)c2OC)c1 ZINC000757657764 577862035 /nfs/dbraw/zinc/86/20/35/577862035.db2.gz FZOFRJVIKODOIR-JTQLQIEISA-N -1 3 344.367 2.459 20 10 EECDHM COc1cccc(CNc2ncc(-c3nnn[n-]3)cc2Cl)c1O ZINC000737131250 578239880 /nfs/dbraw/zinc/23/98/80/578239880.db2.gz AOFKMFWQXBURKY-UHFFFAOYSA-N -1 3 332.751 2.241 20 10 EECDHM COc1cccc(CNc2ncc(-c3nn[n-]n3)cc2Cl)c1O ZINC000737131250 578239881 /nfs/dbraw/zinc/23/98/81/578239881.db2.gz AOFKMFWQXBURKY-UHFFFAOYSA-N -1 3 332.751 2.241 20 10 EECDHM C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000820428508 599392708 /nfs/dbraw/zinc/39/27/08/599392708.db2.gz XRKYMODSLNNZSU-JTQLQIEISA-N -1 3 340.343 2.331 20 10 EECDHM C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000820428508 599392711 /nfs/dbraw/zinc/39/27/11/599392711.db2.gz XRKYMODSLNNZSU-JTQLQIEISA-N -1 3 340.343 2.331 20 10 EECDHM O=C1N=C(N2CCCCC2)SC1=Cc1ccccc1-c1nnn[n-]1 ZINC000826481766 607884559 /nfs/dbraw/zinc/88/45/59/607884559.db2.gz IFOKHESOHGQMAG-RAXLEYEMSA-N -1 3 340.412 2.323 20 10 EECDHM O=C1N=C(N2CCCCC2)SC1=Cc1ccccc1-c1nn[n-]n1 ZINC000826481766 607884560 /nfs/dbraw/zinc/88/45/60/607884560.db2.gz IFOKHESOHGQMAG-RAXLEYEMSA-N -1 3 340.412 2.323 20 10 EECDHM CCN1C(=O)C(=Cc2ccc(F)c(-c3nnn[n-]3)c2)SC1=S ZINC000825443254 608874141 /nfs/dbraw/zinc/87/41/41/608874141.db2.gz AWXBRJNUBILJJO-UXBLZVDNSA-N -1 3 335.389 2.227 20 10 EECDHM CCN1C(=O)C(=Cc2ccc(F)c(-c3nn[n-]n3)c2)SC1=S ZINC000825443254 608874144 /nfs/dbraw/zinc/87/41/44/608874144.db2.gz AWXBRJNUBILJJO-UXBLZVDNSA-N -1 3 335.389 2.227 20 10 EECDHM Cc1ccc(C)n1-c1ccc(C(=O)NCCCc2c[n-][nH]c2=O)cc1 ZINC000898729982 693433646 /nfs/dbraw/zinc/43/36/46/693433646.db2.gz HWKHEYWHMFWCNH-INIZCTEOSA-N -1 3 338.411 2.336 20 10 EECDHM CNC(=O)c1cnc(NCc2cc(Cl)c3cccnc3c2[O-])nc1 ZINC001168527447 1192782916 /nfs/dbraw/zinc/78/29/16/1192782916.db2.gz IHWUQDRGIMVILX-UHFFFAOYSA-N -1 3 343.774 2.356 20 10 EECDHM [O-]c1c(Br)cccc1CN1CCN([C@@H]2CCOC2)CC1 ZINC000827119332 1250140934 /nfs/dbraw/zinc/14/09/34/1250140934.db2.gz KPZRMZWQUXPMCM-CYBMUJFWSA-N -1 3 341.249 2.061 20 10 EECDHM CC(C)CN1CC[C@@]2(CCC[N@@H+]2Cc2ccc(C(=O)[O-])cc2[O-])C1=O ZINC001273706078 1283725093 /nfs/dbraw/zinc/72/50/93/1283725093.db2.gz BZRRDRGBKHYXDJ-IBGZPJMESA-N -1 3 346.427 2.313 20 10 EECDHM CC(C)CN1CC[C@@]2(CCC[N@H+]2Cc2ccc(C(=O)[O-])cc2[O-])C1=O ZINC001273706078 1283725106 /nfs/dbraw/zinc/72/51/06/1283725106.db2.gz BZRRDRGBKHYXDJ-IBGZPJMESA-N -1 3 346.427 2.313 20 10 EECDHM CN(C)C(=O)[C@]12C[C@H]1CCN2Cc1cc(Br)ccc1[O-] ZINC001277456892 1303223231 /nfs/dbraw/zinc/22/32/31/1303223231.db2.gz JJQOFFBJODIGGT-ABAIWWIYSA-N -1 3 339.233 2.207 20 10 EECDHM Cc1cccnc1N1CCN(Cc2ccc(C(=O)[O-])cc2O)CC1 ZINC001231446980 1303798660 /nfs/dbraw/zinc/79/86/60/1303798660.db2.gz NCWUXDLBPUSBEB-UHFFFAOYSA-N -1 3 327.384 2.116 20 10 EECDHM CC(C)CC(=O)NC1CC[NH+](Cc2ccc(C(=O)[O-])cc2[O-])CC1 ZINC001231452381 1303802072 /nfs/dbraw/zinc/80/20/72/1303802072.db2.gz NVKAIOBWHZVZRU-UHFFFAOYSA-N -1 3 334.416 2.217 20 10 EECDHM COc1ccc(N2CCN(Cc3cc(Cl)c([O-])cc3O)CC2)nc1 ZINC001232263673 1304057967 /nfs/dbraw/zinc/05/79/67/1304057967.db2.gz COHGPMDRZCSNSD-UHFFFAOYSA-N -1 3 349.818 2.477 20 10 EECDHM COc1cc([O-])c(CN2CC[C@@H](O)[C@H](F)C2)cc1Br ZINC001233135370 1304372744 /nfs/dbraw/zinc/37/27/44/1304372744.db2.gz RFPINFIHQAGVGJ-GHMZBOCLSA-N -1 3 334.185 2.068 20 10 EECDHM CCN(C)C(=O)CO[C@@H]1CCCN(Cc2c([O-])ccc(F)c2F)C1 ZINC001233336200 1304435037 /nfs/dbraw/zinc/43/50/37/1304435037.db2.gz CCFISOHHDDXPNH-GFCCVEGCSA-N -1 3 342.386 2.130 20 10 EECDHM C[C@H](C[NH+](C)C)Oc1cc([O-])cc2oc3cc([O-])c(O)cc3c(=O)c12 ZINC001234748291 1305018934 /nfs/dbraw/zinc/01/89/34/1305018934.db2.gz IICPKNGMWDZTFH-SECBINFHSA-N -1 3 345.351 2.392 20 10 EECDHM CCN(CC(=O)OC)Cc1c([O-])cc(OC)cc1Br ZINC001237069082 1305787216 /nfs/dbraw/zinc/78/72/16/1305787216.db2.gz YJFWYOCDCWXIRH-UHFFFAOYSA-N -1 3 332.194 2.158 20 10 EECDHM CCN(C)C(=O)CO[C@@H]1CCCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001142531047 1315652793 /nfs/dbraw/zinc/65/27/93/1315652793.db2.gz ODSLWSOLZTULSW-CYBMUJFWSA-N -1 3 342.386 2.130 20 10 EECDHM CC(C)(C)N1CC[C@H](NCc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1=O ZINC000842721765 1315761692 /nfs/dbraw/zinc/76/16/92/1315761692.db2.gz WRCGTPFAECGECO-NSHDSACASA-N -1 3 341.795 2.443 20 10 EECDHM CC(=O)[C@H]1CN(Cc2cc(C)c(Br)cc2[O-])CCO1 ZINC001250136261 1317217572 /nfs/dbraw/zinc/21/75/72/1317217572.db2.gz PBVFUZFJSPLZCC-CQSZACIVSA-N -1 3 328.206 2.253 20 10 EECDHM Cc1cc(CN2CC(=O)N3CCC[C@H]3C2)c([O-])cc1Br ZINC001250134326 1317217662 /nfs/dbraw/zinc/21/76/62/1317217662.db2.gz ZPSFGQIWPLUWTI-LBPRGKRZSA-N -1 3 339.233 2.270 20 10 EECDHM COc1cnc(N2CCN(Cc3cc(Cl)ccc3[O-])CC2)nc1 ZINC001203665815 1321935643 /nfs/dbraw/zinc/93/56/43/1321935643.db2.gz WHBVNLPVTLHAEE-UHFFFAOYSA-N -1 3 334.807 2.166 20 10 EECDHM C[C@H]([NH2+]C[C@@H]1CC[C@H](C2CC2)O1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589961102 1349082567 /nfs/dbraw/zinc/08/25/67/1349082567.db2.gz AGTFJBVHRCDLSQ-ITDIGPHOSA-N -1 3 329.404 2.181 20 10 EECDHM CC[C@@H]([NH2+][C@@H]1COC2(CCC2)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590465738 1349341907 /nfs/dbraw/zinc/34/19/07/1349341907.db2.gz VOEPGQQXZXITQY-SMDDNHRTSA-N -1 3 329.404 2.325 20 10 EECDHM Cc1nnc(NCc2ccc(N(C)C)c(F)c2)c(-c2nnn[n-]2)c1C ZINC001592449046 1404688637 /nfs/dbraw/zinc/68/86/37/1404688637.db2.gz DCSOYJRUIOYPFA-UHFFFAOYSA-N -1 3 342.382 2.091 20 10 EECDHM Cc1nnc(NCc2ccc(N(C)C)c(F)c2)c(-c2nn[n-]n2)c1C ZINC001592449046 1404688658 /nfs/dbraw/zinc/68/86/58/1404688658.db2.gz DCSOYJRUIOYPFA-UHFFFAOYSA-N -1 3 342.382 2.091 20 10 EECDHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)NCc1cc(Cl)ccc1O ZINC001592912589 1404729125 /nfs/dbraw/zinc/72/91/25/1404729125.db2.gz RZRIDUWANHGOAW-UHFFFAOYSA-N -1 3 343.774 2.085 20 10 EECDHM O=C(c1cccc(O)c1[O-])N1CCN(c2cc(F)ccc2F)CC1 ZINC000185808704 783582723 /nfs/dbraw/zinc/58/27/23/783582723.db2.gz KIYPMFUDVTZQSR-UHFFFAOYSA-N -1 3 334.322 2.338 20 10 EECDHM CCCN(CC(=O)N(C)C)Cc1c([O-])cccc1Br ZINC000707132908 786139192 /nfs/dbraw/zinc/13/91/92/786139192.db2.gz UZAAXEQWPJCEGG-UHFFFAOYSA-N -1 3 329.238 2.455 20 10 EECDHM O=C(NC1CC1)[C@H]1CCCN1Cc1ccc(Br)cc1[O-] ZINC000824576068 788220455 /nfs/dbraw/zinc/22/04/55/788220455.db2.gz ZEQKGGNWYZYDOK-CYBMUJFWSA-N -1 3 339.233 2.398 20 10 EECDHM O=C(c1cc(O)c([O-])c(O)c1)N1C[C@H]2[C@@H](C1)CCC[C@@H]2OCC1CC1 ZINC001148584052 792570210 /nfs/dbraw/zinc/57/02/10/792570210.db2.gz LUKVWHMNYAKTQX-IFIJOSMWSA-N -1 3 347.411 2.471 20 10 EECDHM COc1ccc(CN(C)C(=O)c2cc(O)c([O-])c(O)c2)c(OC)c1 ZINC001148583987 792570339 /nfs/dbraw/zinc/57/03/39/792570339.db2.gz JQQXAROFHHROMG-UHFFFAOYSA-N -1 3 333.340 2.093 20 10 EECDHM CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=O)c1cccc(O)c1[O-] ZINC000790903358 808989351 /nfs/dbraw/zinc/98/93/51/808989351.db2.gz AQEUDOABYXNHEI-LBPRGKRZSA-N -1 3 349.408 2.080 20 10 EECDHM COc1ccc(CNC(=O)c2cc(OC)c([O-])c(OC)c2)c(O)c1 ZINC000794376157 810802708 /nfs/dbraw/zinc/80/27/08/810802708.db2.gz CSFIVOQBKBMOBU-UHFFFAOYSA-N -1 3 333.340 2.054 20 10 EECDHM CCN1CCCN(Cc2c(O)c(C(=O)[O-])cc3ccccc32)CC1=O ZINC001596425995 984079122 /nfs/dbraw/zinc/07/91/22/984079122.db2.gz NCRGBXAHHFHBQM-UHFFFAOYSA-N -1 3 342.395 2.298 20 10 EECDHM CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])[C@]12CCCO2 ZINC001596832879 985465954 /nfs/dbraw/zinc/46/59/54/985465954.db2.gz JOFYESZGFMFFDK-MTYBJYJGSA-N -1 3 335.400 2.468 20 10 EECDHM C[C@H]([NH2+]C[C@H](O)Cc1cccc(F)c1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593246179 994446878 /nfs/dbraw/zinc/44/68/78/994446878.db2.gz ICOLWCCCNVEVHM-XHDPSFHLSA-N -1 3 333.359 2.484 20 10 EECDHM C[C@@H](C1CC1)N(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1CC1 ZINC000093946032 533368089 /nfs/dbraw/zinc/36/80/89/533368089.db2.gz UJIJRMFCBXCSRK-JTQLQIEISA-N -1 3 338.429 2.167 20 10 EECDHM COC(=O)[C@]1(C)CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000093813632 533618483 /nfs/dbraw/zinc/61/84/83/533618483.db2.gz YFWPUYOEQMXYFO-CQSZACIVSA-N -1 3 328.752 2.339 20 10 EECDHM C[C@@H](NC(c1nccn1C)c1nccn1C)c1cc(F)ccc1[O-] ZINC000527949668 317291384 /nfs/dbraw/zinc/29/13/84/317291384.db2.gz XDCYWBCTHPBYDH-LLVKDONJSA-N -1 3 329.379 2.439 20 10 EECDHM COc1cccc([C@@H](CNC(=O)c2cccc(O)c2[O-])N(C)C)c1 ZINC000184770529 465025163 /nfs/dbraw/zinc/02/51/63/465025163.db2.gz AVLQJOHDYIAKKF-OAHLLOKOSA-N -1 3 330.384 2.139 20 10 EECDHM COc1ccnc(N2CCN(Cc3c([O-])cccc3Cl)CC2)n1 ZINC000129595937 462714600 /nfs/dbraw/zinc/71/46/00/462714600.db2.gz KJJZHFHFMOVDHN-UHFFFAOYSA-N -1 3 334.807 2.166 20 10 EECDHM C[C@@H]1CN(Cc2cc(-c3ccccc3)ccc2[O-])C[C@@H](C(N)=O)O1 ZINC000092006446 462917369 /nfs/dbraw/zinc/91/73/69/462917369.db2.gz VWQPCGPTFXREAC-ACJLOTCBSA-N -1 3 326.396 2.134 20 10 EECDHM CC(=O)c1cc(F)cc(CN2CCS[C@H]3COCC[C@@H]32)c1[O-] ZINC000135556708 463174546 /nfs/dbraw/zinc/17/45/46/463174546.db2.gz NLZJBDMJDKGCKY-GJZGRUSLSA-N -1 3 325.405 2.440 20 10 EECDHM Cc1n[nH]cc1CN1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277305062 463906942 /nfs/dbraw/zinc/90/69/42/463906942.db2.gz LDXDVXFGRGVOEY-UHFFFAOYSA-N -1 3 334.763 2.042 20 10 EECDHM COc1c([O-])c(CN(CCN(C)C)Cc2ccco2)ccc1[N+](=O)[O-] ZINC000289176562 464068907 /nfs/dbraw/zinc/06/89/07/464068907.db2.gz ADEVZPKAJYPULG-UHFFFAOYSA-N -1 3 349.387 2.466 20 10 EECDHM C[C@H](N[C@H]1COc2ccccc2[C@@H]1O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000290156961 464109790 /nfs/dbraw/zinc/10/97/90/464109790.db2.gz CZXSTBPXMQRSBV-NCHVAJSOSA-N -1 3 330.340 2.446 20 10 EECDHM O=C(NC1CC1)[C@@H]1CCCN1Cc1cc(Br)ccc1[O-] ZINC000179485811 464144453 /nfs/dbraw/zinc/14/44/53/464144453.db2.gz XBYXLBUGCJQUGV-ZDUSSCGKSA-N -1 3 339.233 2.398 20 10 EECDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2nnc3n2CCCCC3)c1 ZINC000273435821 464714519 /nfs/dbraw/zinc/71/45/19/464714519.db2.gz XAHKHDIWLKBUSV-GFCCVEGCSA-N -1 3 344.415 2.348 20 10 EECDHM CC(=O)c1cc(F)cc(CN2CCOCC3(CCOCC3)C2)c1[O-] ZINC000184115883 464949147 /nfs/dbraw/zinc/94/91/47/464949147.db2.gz ZFYSWOHHQKKCCA-UHFFFAOYSA-N -1 3 337.391 2.363 20 10 EECDHM CN1CCN(Cc2cccc(NC(=O)c3cc([O-])cs3)c2)CC1 ZINC000731870560 577129423 /nfs/dbraw/zinc/12/94/23/577129423.db2.gz PYMVVTZPYQZRMA-UHFFFAOYSA-N -1 3 331.441 2.453 20 10 EECDHM CCOc1ccc(CN2CCc3ccccc3[C@@H]2C(N)=O)c([O-])c1 ZINC000769187906 577571990 /nfs/dbraw/zinc/57/19/90/577571990.db2.gz CHDNJQOASSAJHO-GOSISDBHSA-N -1 3 326.396 2.376 20 10 EECDHM COC(=O)[C@@H](COC(C)C)N(C)Cc1cc(Cl)cc(OC)c1[O-] ZINC000761207121 577679124 /nfs/dbraw/zinc/67/91/24/577679124.db2.gz YAZSMGWZLWAURO-CYBMUJFWSA-N -1 3 345.823 2.453 20 10 EECDHM O=C(c1cc([O-])cs1)N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000743633548 577888147 /nfs/dbraw/zinc/88/81/47/577888147.db2.gz NEELRWCPCFQIOH-UHFFFAOYSA-N -1 3 334.372 2.077 20 10 EECDHM CNC(=O)Cc1noc(CN(Cc2ccccc2[O-])C2CCCC2)n1 ZINC000749791193 577981684 /nfs/dbraw/zinc/98/16/84/577981684.db2.gz XNQUZTIZKSKNJU-UHFFFAOYSA-N -1 3 344.415 2.009 20 10 EECDHM CC(=O)c1cc(Cl)cc(CN2CCN(C(C)(C)CO)CC2)c1[O-] ZINC000750046527 577986180 /nfs/dbraw/zinc/98/61/80/577986180.db2.gz CGAKPLUJNGTUOW-UHFFFAOYSA-N -1 3 340.851 2.137 20 10 EECDHM CCCN(Cc1ccccc1O)C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736479218 578206946 /nfs/dbraw/zinc/20/69/46/578206946.db2.gz DOVSIWDVAMOSAY-UHFFFAOYSA-N -1 3 338.371 2.020 20 10 EECDHM CCCN(Cc1ccccc1O)C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736479218 578206947 /nfs/dbraw/zinc/20/69/47/578206947.db2.gz 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QYEZDLBAMRHJCJ-CQSZACIVSA-N -1 3 341.363 2.328 20 10 EECDHM O=C(c1ccccc1)c1ccc([O-])c(O)c1OC[C@H]1COCCO1 ZINC001227937413 1302016644 /nfs/dbraw/zinc/01/66/44/1302016644.db2.gz JUVPFPDLCIZQSW-CYBMUJFWSA-N -1 3 330.336 2.123 20 10 EECDHM CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231449420 1303799887 /nfs/dbraw/zinc/79/98/87/1303799887.db2.gz ZINYUWBHJGGODZ-HNNXBMFYSA-N -1 3 334.416 2.171 20 10 EECDHM CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231449420 1303799891 /nfs/dbraw/zinc/79/98/91/1303799891.db2.gz ZINYUWBHJGGODZ-HNNXBMFYSA-N -1 3 334.416 2.171 20 10 EECDHM Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccc(C(=O)[O-])cc3[O-])C2)nc1 ZINC001231452541 1303802393 /nfs/dbraw/zinc/80/23/93/1303802393.db2.gz BNMBWMBJSLGXDY-OAHLLOKOSA-N -1 3 328.368 2.447 20 10 EECDHM Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccc(C(=O)[O-])cc3[O-])C2)nc1 ZINC001231452541 1303802401 /nfs/dbraw/zinc/80/24/01/1303802401.db2.gz BNMBWMBJSLGXDY-OAHLLOKOSA-N -1 3 328.368 2.447 20 10 EECDHM CCOC(=O)[C@@H]1COCCN1Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233455499 1304470162 /nfs/dbraw/zinc/47/01/62/1304470162.db2.gz NFSCZNWPYVWQIN-LBPRGKRZSA-N -1 3 333.306 2.175 20 10 EECDHM C[C@H]1CN(Cc2cccc(I)c2[O-])CC[C@H]1O ZINC001237778482 1306087032 /nfs/dbraw/zinc/08/70/32/1306087032.db2.gz WLHLIYZHVRYAKP-JOYOIKCWSA-N -1 3 347.196 2.200 20 10 EECDHM COc1ccc(CN(C)CC(C)=O)c([O-])c1I ZINC001248481999 1310910214 /nfs/dbraw/zinc/91/02/14/1310910214.db2.gz NRSVPEHVHVNKAN-UHFFFAOYSA-N -1 3 349.168 2.026 20 10 EECDHM COc1ccnc(N2CCN(Cc3ccc(Cl)cc3[O-])CC2)n1 ZINC001140464858 1314893125 /nfs/dbraw/zinc/89/31/25/1314893125.db2.gz CTXXLCPIQFOVNK-UHFFFAOYSA-N -1 3 334.807 2.166 20 10 EECDHM CC(=O)c1cc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)ccc1O ZINC001259356474 1319536901 /nfs/dbraw/zinc/53/69/01/1319536901.db2.gz DFVOBRSOPUYULJ-UHFFFAOYSA-N -1 3 333.365 2.331 20 10 EECDHM C[C@H]([NH2+]CC[S@](=O)CC(F)(F)F)c1cc(C(=O)[O-])ccc1[O-] ZINC001604341146 1350919743 /nfs/dbraw/zinc/91/97/43/1350919743.db2.gz NODLBFYMFWDJFC-ZCAPAMDOSA-N -1 3 339.335 2.052 20 10 EECDHM C[C@@H](CNC(=O)c1cccc(O)c1[O-])CN(C)C(=O)OC(C)(C)C ZINC001320976729 1332991036 /nfs/dbraw/zinc/99/10/36/1332991036.db2.gz BKMFYWMXDYSFFB-NSHDSACASA-N -1 3 338.404 2.331 20 10 EECDHM CCCCN(Cc1ccccc1O)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001609210310 1351894149 /nfs/dbraw/zinc/89/41/49/1351894149.db2.gz LTFQVBMJGRGHLD-UHFFFAOYSA-N -1 3 340.387 2.343 20 10 EECDHM CCCCN(Cc1ccccc1O)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001609210310 1351894152 /nfs/dbraw/zinc/89/41/52/1351894152.db2.gz LTFQVBMJGRGHLD-UHFFFAOYSA-N -1 3 340.387 2.343 20 10 EECDHM CCS(=O)(=O)c1cccc(NC(=O)c2ccc(C)c(O)c2[O-])c1 ZINC001337467214 1336706147 /nfs/dbraw/zinc/70/61/47/1336706147.db2.gz NHKVDEJCUHWVPK-UHFFFAOYSA-N -1 3 335.381 2.452 20 10 EECDHM C[C@@H]([NH2+][C@H]1CCOC2(CCOCC2)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609778645 1352083510 /nfs/dbraw/zinc/08/35/10/1352083510.db2.gz NYASDJFZTNCIJE-OCCSQVGLSA-N -1 3 335.400 2.469 20 10 EECDHM CC[C@@H]([NH2+]CC1(CCOC)CC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590462695 1349339199 /nfs/dbraw/zinc/33/91/99/1349339199.db2.gz FDJXCACLQIISIV-CQSZACIVSA-N -1 3 331.420 2.430 20 10 EECDHM CC[C@H]([NH2+]CCC1CC(OC)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590466645 1349341990 /nfs/dbraw/zinc/34/19/90/1349341990.db2.gz LCLNLFXCCXWBSP-QOZQQMKHSA-N -1 3 331.420 2.428 20 10 EECDHM COc1ccccc1CC[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001591648137 1349524144 /nfs/dbraw/zinc/52/41/44/1349524144.db2.gz ALSVJZQONBYHIS-GFCCVEGCSA-N -1 3 339.399 2.474 20 10 EECDHM O=C(c1[nH]c2ccccc2c1-c1nnn[n-]1)N1Cc2cccc(O)c2C1 ZINC001593315563 1349779097 /nfs/dbraw/zinc/77/90/97/1349779097.db2.gz NINOMVOAQAEVBH-UHFFFAOYSA-N -1 3 346.350 2.210 20 10 EECDHM C[C@H](C[C@H](O)c1ccco1)[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603463361 1350709234 /nfs/dbraw/zinc/70/92/34/1350709234.db2.gz INILEBWIUGMIFZ-SUNKGSAMSA-N -1 3 343.387 2.328 20 10 EECDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccc2c(c1)CCC(=O)N2 ZINC000187072151 788695183 /nfs/dbraw/zinc/69/51/83/788695183.db2.gz JDXOBQSZNLUZMM-SNVBAGLBSA-N -1 3 326.352 2.474 20 10 EECDHM Cc1cccc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1 ZINC000055194163 789085034 /nfs/dbraw/zinc/08/50/34/789085034.db2.gz YFOCGFCCWQFRMW-UHFFFAOYSA-N -1 3 334.397 2.002 20 10 EECDHM CC[C@@H]1CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000063092922 791793591 /nfs/dbraw/zinc/79/35/91/791793591.db2.gz UUZLMJNGIGDALG-LLVKDONJSA-N -1 3 326.418 2.026 20 10 EECDHM CC1(C)C(=O)Nc2cc(NC(=O)c3cc(O)c([O-])c(O)c3)ccc21 ZINC001148585911 792571236 /nfs/dbraw/zinc/57/12/36/792571236.db2.gz DOLYKBSDTMCDSU-UHFFFAOYSA-N -1 3 328.324 2.285 20 10 EECDHM COC(=O)[C@@H]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@@H]1C ZINC000787421455 807108809 /nfs/dbraw/zinc/10/88/09/807108809.db2.gz RCAMGUYXWPBPIA-LDYMZIIASA-N -1 3 328.752 2.337 20 10 EECDHM C[C@@](O)(C1CCN(C(=O)c2cccc(O)c2[O-])CC1)C(F)(F)F ZINC000790938979 809011222 /nfs/dbraw/zinc/01/12/22/809011222.db2.gz PUJKISHZFVDYBU-CQSZACIVSA-N -1 3 333.306 2.263 20 10 EECDHM O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1c([O-])cccc1O ZINC000092117970 462928964 /nfs/dbraw/zinc/92/89/64/462928964.db2.gz JVRJQVJCRNCGSU-UHFFFAOYSA-N -1 3 346.358 2.004 20 10 EECDHM Cc1cc(C(=O)N2CCc3nc[n-]c(=O)c3C2)c(C)n1-c1ccccc1 ZINC000179099608 464056527 /nfs/dbraw/zinc/05/65/27/464056527.db2.gz BOPJDRORFFJWCR-UHFFFAOYSA-N -1 3 348.406 2.376 20 10 EECDHM COc1ccccc1N1CC[C@H](CNC(=O)c2cccc(O)c2[O-])C1 ZINC000187056414 464094787 /nfs/dbraw/zinc/09/47/87/464094787.db2.gz JGJRJVWDIUKPBS-CYBMUJFWSA-N -1 3 342.395 2.363 20 10 EECDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2ncccc2N(C)C)c1 ZINC000289872972 464098364 /nfs/dbraw/zinc/09/83/64/464098364.db2.gz RNKSGLPWQGUBEO-LBPRGKRZSA-N -1 3 329.400 2.491 20 10 EECDHM COc1cc(Cl)cc(CN2C[C@@H](C)S(=O)(=O)[C@H](C)C2)c1[O-] ZINC000290800654 464132974 /nfs/dbraw/zinc/13/29/74/464132974.db2.gz FHDFVRQRXNEPJM-NXEZZACHSA-N -1 3 333.837 2.062 20 10 EECDHM Cc1cc(Br)cc(CN(C)[C@H]2CCN(C)C2=O)c1[O-] ZINC000271742945 464371265 /nfs/dbraw/zinc/37/12/65/464371265.db2.gz AGCOUAZVCIQKLO-LBPRGKRZSA-N -1 3 327.222 2.126 20 10 EECDHM [O-]c1cccc(Cl)c1CNC[C@H](N1CCOCC1)C(F)(F)F ZINC000285407762 464553632 /nfs/dbraw/zinc/55/36/32/464553632.db2.gz FOOYYILNBQBWEB-ZDUSSCGKSA-N -1 3 338.757 2.398 20 10 EECDHM CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000182566508 464684704 /nfs/dbraw/zinc/68/47/04/464684704.db2.gz POWIIGLWXBSUME-WNDFPBNNSA-N -1 3 325.430 2.216 20 10 EECDHM Cc1ccc(C(=O)N(C)[C@@H](C)CNC(=O)OC(C)(C)C)c([O-])c1O ZINC000272723293 464686481 /nfs/dbraw/zinc/68/64/81/464686481.db2.gz FVLKMKFYVNECBS-NSHDSACASA-N -1 3 338.404 2.391 20 10 EECDHM CSCCCCCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000274896531 464758559 /nfs/dbraw/zinc/75/85/59/464758559.db2.gz LNCMRKKGTRRCNE-UHFFFAOYSA-N -1 3 346.474 2.027 20 10 EECDHM O=C(NCc1ccc(N2CCCCC2)nc1)c1cccc(O)c1[O-] ZINC000274907105 464758692 /nfs/dbraw/zinc/75/86/92/464758692.db2.gz RUYIPDHPRMZMLS-UHFFFAOYSA-N -1 3 327.384 2.413 20 10 EECDHM Cc1ccc(C(=O)N2CCC(OC[C@@H]3CCCO3)CC2)c([O-])c1O ZINC000378564750 467342033 /nfs/dbraw/zinc/34/20/33/467342033.db2.gz OGCKZHVIMPEGIT-AWEZNQCLSA-N -1 3 335.400 2.206 20 10 EECDHM O=C(NC1CCC(O)(c2cccnc2)CC1)c1cccc(O)c1[O-] ZINC000193166888 534793409 /nfs/dbraw/zinc/79/34/09/534793409.db2.gz LKQWBYMDIMRNMW-UHFFFAOYSA-N -1 3 328.368 2.053 20 10 EECDHM O=C(NCCCSc1nccs1)c1cccc(-c2nnn[n-]2)c1 ZINC000738077108 577998552 /nfs/dbraw/zinc/99/85/52/577998552.db2.gz ZLYBHZJXHMMZND-UHFFFAOYSA-N -1 3 346.441 2.235 20 10 EECDHM O=C(NCCCSc1nccs1)c1cccc(-c2nn[n-]n2)c1 ZINC000738077108 577998553 /nfs/dbraw/zinc/99/85/53/577998553.db2.gz ZLYBHZJXHMMZND-UHFFFAOYSA-N -1 3 346.441 2.235 20 10 EECDHM C[C@@H]1C[C@H](NCc2cccc(Cl)c2[O-])C(=O)N1c1cnn(C)c1 ZINC000776224752 577454993 /nfs/dbraw/zinc/45/49/93/577454993.db2.gz VQGILCAKKMMZAN-YGRLFVJLSA-N -1 3 334.807 2.063 20 10 EECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C(C)(C)C(N)=O ZINC000768029854 577549210 /nfs/dbraw/zinc/54/92/10/577549210.db2.gz GBPJOJQCUHOZRA-UHFFFAOYSA-N -1 3 343.221 2.015 20 10 EECDHM COc1cccc([O-])c1CN1CCN(C(=O)N2CCCCC2)CC1 ZINC000768228508 577552428 /nfs/dbraw/zinc/55/24/28/577552428.db2.gz ZURSGBPZHUDJQP-UHFFFAOYSA-N -1 3 333.432 2.124 20 10 EECDHM COc1cccc(O)c1CN1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000768852153 577564192 /nfs/dbraw/zinc/56/41/92/577564192.db2.gz GMEBLPTUSASTQK-UHFFFAOYSA-N -1 3 342.395 2.064 20 10 EECDHM C[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C(C)(C)C1 ZINC000769938082 577587432 /nfs/dbraw/zinc/58/74/32/577587432.db2.gz YRJLYWHWRLBJEF-JTQLQIEISA-N -1 3 326.418 2.024 20 10 EECDHM C[C@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC(C)(C)C1 ZINC000753022052 577780252 /nfs/dbraw/zinc/78/02/52/577780252.db2.gz UYUVCIIFNPNHCT-LLVKDONJSA-N -1 3 340.445 2.272 20 10 EECDHM C[C@H](N[C@@H]1CCCc2c1cnn2CCO)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756457798 577844503 /nfs/dbraw/zinc/84/45/03/577844503.db2.gz LMDYLHGJGKTTJU-XHDPSFHLSA-N -1 3 346.387 2.217 20 10 EECDHM O=C(CCc1ccccc1)N1CC[C@@H](NC(=O)c2cc([O-])cs2)C1 ZINC000757437634 577859695 /nfs/dbraw/zinc/85/96/95/577859695.db2.gz NXBVVPXOPUBGNH-CQSZACIVSA-N -1 3 344.436 2.417 20 10 EECDHM O=C(C=Cc1ccc(O)c(O)c1)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000822928405 607452145 /nfs/dbraw/zinc/45/21/45/607452145.db2.gz HUEUKFQSCSZLMC-YWEYNIOJSA-N -1 3 338.323 2.035 20 10 EECDHM O=C(C=Cc1ccc(O)c(O)c1)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000822928405 607452146 /nfs/dbraw/zinc/45/21/46/607452146.db2.gz HUEUKFQSCSZLMC-YWEYNIOJSA-N -1 3 338.323 2.035 20 10 EECDHM COC(=O)c1cc2ccccc2c(C[N@@H+]2C[C@H](C)[C@@H](C(=O)[O-])C2)c1[O-] ZINC000831354276 601818190 /nfs/dbraw/zinc/81/81/90/601818190.db2.gz XOVPPFFZJRCXRQ-NHYWBVRUSA-N -1 3 343.379 2.485 20 10 EECDHM COC(=O)c1cc2ccccc2c(C[N@H+]2C[C@H](C)[C@@H](C(=O)[O-])C2)c1[O-] ZINC000831354276 601818191 /nfs/dbraw/zinc/81/81/91/601818191.db2.gz XOVPPFFZJRCXRQ-NHYWBVRUSA-N -1 3 343.379 2.485 20 10 EECDHM O=C1N=C(N2CCCCC2)SC1=Cc1ccc(-c2nnn[n-]2)s1 ZINC000823541903 606389998 /nfs/dbraw/zinc/38/99/98/606389998.db2.gz ULBROBKTXVOZHK-FLIBITNWSA-N -1 3 346.441 2.384 20 10 EECDHM COc1cccc(CNc2c(F)cc(-c3nnn[n-]3)cc2F)c1O ZINC000826216175 608377400 /nfs/dbraw/zinc/37/74/00/608377400.db2.gz NFEHMNGTHCBNFU-UHFFFAOYSA-N -1 3 333.298 2.471 20 10 EECDHM COc1cccc(CNc2c(F)cc(-c3nn[n-]n3)cc2F)c1O ZINC000826216175 608377402 /nfs/dbraw/zinc/37/74/02/608377402.db2.gz NFEHMNGTHCBNFU-UHFFFAOYSA-N -1 3 333.298 2.471 20 10 EECDHM O=C1N(CC(F)F)CC[C@]12CCCN2Cc1c([O-])cccc1F ZINC001273266325 1197891216 /nfs/dbraw/zinc/89/12/16/1197891216.db2.gz WUORTQVWWMQBFG-MRXNPFEDSA-N -1 3 328.334 2.363 20 10 EECDHM COc1ccc(C[N-]S(=O)(=O)c2ccc(F)c(F)c2F)c(O)c1 ZINC000795358344 1212011421 /nfs/dbraw/zinc/01/14/21/1212011421.db2.gz YRYUTULQOOXYMG-UHFFFAOYSA-N -1 3 347.314 2.297 20 10 EECDHM COC[C@@H]1CN(Cc2c([O-])cccc2Br)C[C@H](C)O1 ZINC000862336675 1295797780 /nfs/dbraw/zinc/79/77/80/1295797780.db2.gz IWRIRFMDLBGETA-QWRGUYRKSA-N -1 3 330.222 2.390 20 10 EECDHM CCOC(=O)CN1CCN(Cc2cc(Cl)c(C)cc2[O-])CC1 ZINC001231869250 1303935389 /nfs/dbraw/zinc/93/53/89/1303935389.db2.gz NOMLMTKNQRIICX-UHFFFAOYSA-N -1 3 326.824 2.035 20 10 EECDHM COc1cnc(O[C@H]2CCN(Cc3cccc(Cl)c3[O-])C2)nc1 ZINC001231913487 1303945298 /nfs/dbraw/zinc/94/52/98/1303945298.db2.gz KJHOXRVELLNTBP-LBPRGKRZSA-N -1 3 335.791 2.498 20 10 EECDHM C[C@H]1CN(Cc2ccc(I)cc2[O-])CC[C@H]1O ZINC001232974841 1304313124 /nfs/dbraw/zinc/31/31/24/1304313124.db2.gz SEVYOKFHXTZCCU-JOYOIKCWSA-N -1 3 347.196 2.200 20 10 EECDHM COc1cc([O-])c(CN2CC3(C2)CCOC3)cc1Br ZINC001233135734 1304371598 /nfs/dbraw/zinc/37/15/98/1304371598.db2.gz YXTXAPHKMMHMQS-UHFFFAOYSA-N -1 3 328.206 2.386 20 10 EECDHM COc1cc([O-])c(CN2CCn3nccc3C2)cc1Br ZINC001233143096 1304374553 /nfs/dbraw/zinc/37/45/53/1304374553.db2.gz WRYTXWUJOBVLLY-UHFFFAOYSA-N -1 3 338.205 2.376 20 10 EECDHM [O-]c1c(Br)cc(Br)cc1CN1CCNC1 ZINC001236844890 1305697343 /nfs/dbraw/zinc/69/73/43/1305697343.db2.gz XAHAQZNLEBXELS-UHFFFAOYSA-N -1 3 336.027 2.280 20 10 EECDHM COC[C@@H]1COCCN1Cc1c([O-])cc(OC)cc1Br ZINC001237064102 1305785184 /nfs/dbraw/zinc/78/51/84/1305785184.db2.gz BYXLXGMAHWYRLN-SNVBAGLBSA-N -1 3 346.221 2.011 20 10 EECDHM C[C@H]1C[C@@H](O)CCN1Cc1cccc(I)c1[O-] ZINC001237779482 1306086853 /nfs/dbraw/zinc/08/68/53/1306086853.db2.gz HBYJMYVSQOQDOT-ONGXEEELSA-N -1 3 347.196 2.342 20 10 EECDHM O=C([C@H]1CCCCN1Cc1ccc(Cl)cc1[O-])N1CCOCC1 ZINC001140466485 1314893147 /nfs/dbraw/zinc/89/31/47/1314893147.db2.gz HGODDWGKHCJRJP-OAHLLOKOSA-N -1 3 338.835 2.259 20 10 EECDHM Cc1cc(CN2CC(=O)N3CCC[C@@H]3C2)c([O-])cc1Br ZINC001250134325 1317217938 /nfs/dbraw/zinc/21/79/38/1317217938.db2.gz ZPSFGQIWPLUWTI-GFCCVEGCSA-N -1 3 339.233 2.270 20 10 EECDHM O=C1COCC2(CCN(Cc3cc(Cl)cc(Cl)c3[O-])CC2)N1 ZINC001203574530 1321915253 /nfs/dbraw/zinc/91/52/53/1321915253.db2.gz ZTFKQRGECMSPSX-UHFFFAOYSA-N -1 3 345.226 2.180 20 10 EECDHM [O-]c1ccc(Cl)cc1CN1CCn2c(Br)nnc2C1 ZINC001203657207 1321933671 /nfs/dbraw/zinc/93/36/71/1321933671.db2.gz HIVJXGKJFRNGPQ-UHFFFAOYSA-N -1 3 343.612 2.415 20 10 EECDHM CN(C)c1ccc([C@@H](CNC(=O)c2ccc(C(=O)[O-])o2)N(C)C)cc1 ZINC001262502303 1322312507 /nfs/dbraw/zinc/31/25/07/1322312507.db2.gz KEKVYDWVTCDJTF-CQSZACIVSA-N -1 3 345.399 2.077 20 10 EECDHM Cn1c(=O)oc2c1cccc2NC(=O)NCc1c([O-])cccc1F ZINC001310439331 1331691228 /nfs/dbraw/zinc/69/12/28/1331691228.db2.gz UOCZVDBVNJDRCO-UHFFFAOYSA-N -1 3 331.303 2.298 20 10 EECDHM CC(=Cc1cccnc1)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC001588773301 1348934495 /nfs/dbraw/zinc/93/44/95/1348934495.db2.gz VSRSUDJBZOERNG-DHZHZOJOSA-N -1 3 338.346 2.467 20 10 EECDHM CC(=Cc1cccnc1)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC001588773301 1348934498 /nfs/dbraw/zinc/93/44/98/1348934498.db2.gz VSRSUDJBZOERNG-DHZHZOJOSA-N -1 3 338.346 2.467 20 10 EECDHM C[C@@H]([NH2+]C[C@H]1COc2ccccc21)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589964775 1349083522 /nfs/dbraw/zinc/08/35/22/1349083522.db2.gz SNTFBDYPGDFPGD-NEPJUHHUSA-N -1 3 337.383 2.399 20 10 EECDHM CC[C@H]([NH2+]CC1(O)CCCCC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590466948 1349341246 /nfs/dbraw/zinc/34/12/46/1349341246.db2.gz MTIQVEKDIAPQDF-AWEZNQCLSA-N -1 3 331.420 2.308 20 10 EECDHM Cc1ccc(C=CC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)cn1 ZINC001605834041 1351231364 /nfs/dbraw/zinc/23/13/64/1351231364.db2.gz FMTRAFWRWANHOP-YVMONPNESA-N -1 3 338.346 2.385 20 10 EECDHM Cc1ccc(C=CC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)cn1 ZINC001605834041 1351231366 /nfs/dbraw/zinc/23/13/66/1351231366.db2.gz FMTRAFWRWANHOP-YVMONPNESA-N -1 3 338.346 2.385 20 10 EECDHM COC(=O)[C@H](CC(F)F)NCc1c([O-])cccc1Br ZINC000862338991 1369529716 /nfs/dbraw/zinc/52/97/16/1369529716.db2.gz JHEWSGDGIAQIOS-VIFPVBQESA-N -1 3 338.148 2.441 20 10 EECDHM CC(C)[C@H]1CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000781793866 1371251737 /nfs/dbraw/zinc/25/17/37/1371251737.db2.gz DMHJHPTWHXVMLH-LBPRGKRZSA-N -1 3 340.445 2.272 20 10 EECDHM [O-]c1cccc(F)c1CN1CCN(Cc2ccccc2)[C@H](CO)C1 ZINC001137832002 1372279589 /nfs/dbraw/zinc/27/95/89/1372279589.db2.gz WOVFAKQYLGAWNX-INIZCTEOSA-N -1 3 330.403 2.210 20 10 EECDHM COc1ccc(N2CC[C@H](CNC(=O)c3c([O-])cccc3O)C2)cc1 ZINC000822369856 787147843 /nfs/dbraw/zinc/14/78/43/787147843.db2.gz GZIVZKPPHBBNQE-CYBMUJFWSA-N -1 3 342.395 2.363 20 10 EECDHM CN(CCC(C)(C)C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000844012159 788801294 /nfs/dbraw/zinc/80/12/94/788801294.db2.gz GPXNGEXRSLSAJE-UHFFFAOYSA-N -1 3 328.434 2.272 20 10 EECDHM Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)c1cc(=O)[n-]c(=O)[nH]1 ZINC001147702032 791917780 /nfs/dbraw/zinc/91/77/80/791917780.db2.gz DNDSXSYKCSFEMN-OAHLLOKOSA-N -1 3 343.383 2.264 20 10 EECDHM Cc1ccnc(-c2n[nH]c([C@H](C)NC(=O)c3cccc(O)c3[O-])n2)c1 ZINC000787803599 807250649 /nfs/dbraw/zinc/25/06/49/807250649.db2.gz TYLYVVZUCJAYHB-JTQLQIEISA-N -1 3 339.355 2.077 20 10 EECDHM CCOC(=O)[C@@H](NCc1cc(Cl)ccc1[O-])[C@H]1CCCOC1 ZINC000789580573 808071947 /nfs/dbraw/zinc/07/19/47/808071947.db2.gz MPKGPGIDDJRBEH-NHYWBVRUSA-N -1 3 327.808 2.494 20 10 EECDHM COc1ccc(N2CC[C@H](CNCc3ncc(C(=O)[O-])s3)C2)cc1 ZINC001599586449 993619852 /nfs/dbraw/zinc/61/98/52/993619852.db2.gz PWULKHXQGWAZQI-GFCCVEGCSA-N -1 3 347.440 2.466 20 10 EECDHM C[C@H]([NH2+][C@@H]1CCC[C@H]([S@](C)=O)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593225823 994350447 /nfs/dbraw/zinc/35/04/47/994350447.db2.gz YPZSJVGLIQILDF-RPWYAYDISA-N -1 3 325.430 2.431 20 10 EECDHM CNC(=O)[C@H]1CCCN(Cc2cc(Br)ccc2[O-])C1 ZINC000093360413 529922735 /nfs/dbraw/zinc/92/27/35/529922735.db2.gz JENNBUHGFJQILV-JTQLQIEISA-N -1 3 327.222 2.113 20 10 EECDHM O=C1CCCN1[C@@H]1CCN(Cc2cc(Br)ccc2[O-])C1 ZINC000276852260 463781451 /nfs/dbraw/zinc/78/14/51/463781451.db2.gz VBGBVDHKPAFNJC-CYBMUJFWSA-N -1 3 339.233 2.351 20 10 EECDHM CC[C@H](NCc1ccc([N+](=O)[O-])c(OC)c1[O-])[C@H](O)C(F)(F)F ZINC000278493260 463967899 /nfs/dbraw/zinc/96/78/99/463967899.db2.gz LVVRCSVMOXMYQT-UFBFGSQYSA-N -1 3 338.282 2.100 20 10 EECDHM CCCS(=O)(=O)NC1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000179677906 464172009 /nfs/dbraw/zinc/17/20/09/464172009.db2.gz NGDVANHTGJSELU-UHFFFAOYSA-N -1 3 346.880 2.339 20 10 EECDHM O=C(CCCNC(=O)c1cccc(O)c1[O-])N1CCc2ccccc21 ZINC000188473429 464288560 /nfs/dbraw/zinc/28/85/60/464288560.db2.gz NSPWEQFXKJPTRY-UHFFFAOYSA-N -1 3 340.379 2.197 20 10 EECDHM Cc1ccc(C(=O)N2CCC(CC(=O)N3CCCC3)CC2)c([O-])c1O ZINC000271256851 464290489 /nfs/dbraw/zinc/29/04/89/464290489.db2.gz ITYOTTHDXCFWQI-UHFFFAOYSA-N -1 3 346.427 2.271 20 10 EECDHM CC[C@@H](C)C[C@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000174534913 464420196 /nfs/dbraw/zinc/42/01/96/464420196.db2.gz WGSGYIIYGRAJDG-MNOVXSKESA-N -1 3 328.434 2.318 20 10 EECDHM CC(C)COC(=O)N1CCCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000372331997 466309075 /nfs/dbraw/zinc/30/90/75/466309075.db2.gz RAKGVDRDDGXGKD-UHFFFAOYSA-N -1 3 336.388 2.038 20 10 EECDHM COc1cc(Cl)cc(CN2CCC[C@@H](N3CCNC3=O)C2)c1[O-] ZINC000363933436 466658960 /nfs/dbraw/zinc/65/89/60/466658960.db2.gz UCOVEENUPFPSQY-CYBMUJFWSA-N -1 3 339.823 2.044 20 10 EECDHM C[C@@H]1CC[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])[C@H](C)C1 ZINC000094136993 534255808 /nfs/dbraw/zinc/25/58/08/534255808.db2.gz MLIREASGBSTCCQ-GYSYKLTISA-N -1 3 340.445 2.318 20 10 EECDHM O=C(NC[C@H](c1ccccc1)N1CCOCC1)c1cc([O-])cs1 ZINC000731868071 577130902 /nfs/dbraw/zinc/13/09/02/577130902.db2.gz KLZKROFEXYYYTD-OAHLLOKOSA-N -1 3 332.425 2.257 20 10 EECDHM O=C(NC[C@@H](CO)Cc1cc(F)c(F)c(F)c1)c1cc([O-])cs1 ZINC000774239635 577391200 /nfs/dbraw/zinc/39/12/00/577391200.db2.gz AKDOVMMCOCXVBV-VIFPVBQESA-N -1 3 345.342 2.452 20 10 EECDHM COc1c([O-])c(CN[C@@H](CO)c2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000775016815 577426497 /nfs/dbraw/zinc/42/64/97/577426497.db2.gz XGGPQRUGIUOKAK-ZDUSSCGKSA-N -1 3 336.319 2.271 20 10 EECDHM COC(=O)[C@H](COC(C)C)N(C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000766231241 577515567 /nfs/dbraw/zinc/51/55/67/577515567.db2.gz YFQNLZGMYYWJOM-HNNXBMFYSA-N -1 3 341.379 2.132 20 10 EECDHM O=C(NCCO)C1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000768317140 577553647 /nfs/dbraw/zinc/55/36/47/577553647.db2.gz GNNQNDHRTUOACA-UHFFFAOYSA-N -1 3 347.242 2.020 20 10 EECDHM COc1ccc(C(=O)N(C)C)cc1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000770486408 577597295 /nfs/dbraw/zinc/59/72/95/577597295.db2.gz IWNRHOHBLZIBNM-UHFFFAOYSA-N -1 3 344.367 2.369 20 10 EECDHM Cc1ccc(C(=O)NC[C@@]2(CO)C[C@H]2c2ccc(F)cc2)c([O-])c1O ZINC000760577325 577666133 /nfs/dbraw/zinc/66/61/33/577666133.db2.gz PXFASLJQTDPSHM-HNAYVOBHSA-N -1 3 345.370 2.441 20 10 EECDHM COc1cc(OC)cc(N2CC[C@H](NC(=O)c3cc([O-])cs3)C2)c1 ZINC000748438198 577961711 /nfs/dbraw/zinc/96/17/11/577961711.db2.gz PZCCNDOMACFOHK-NSHDSACASA-N -1 3 348.424 2.480 20 10 EECDHM O=C1N=NCN1C1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000894609184 682988241 /nfs/dbraw/zinc/98/82/41/682988241.db2.gz VMNVDPJASUCREZ-UHFFFAOYSA-N -1 3 326.759 2.319 20 10 EECDHM Cc1ccc(C)n1-c1ccsc1C(=O)NCCCc1c[n-][nH]c1=O ZINC000898730700 693434245 /nfs/dbraw/zinc/43/42/45/693434245.db2.gz BKYGMTYOAYJMCI-ZDUSSCGKSA-N -1 3 344.440 2.397 20 10 EECDHM COC(=O)CN(Cc1cc(C)nn1C)Cc1cc(Cl)ccc1[O-] ZINC000841841441 1187940278 /nfs/dbraw/zinc/94/02/78/1187940278.db2.gz UUJNNIVIGPUUCP-UHFFFAOYSA-N -1 3 337.807 2.263 20 10 EECDHM Cc1cc(N2CCN(Cc3cc(F)c(F)cc3[O-])CC2)nc(C)n1 ZINC001142520387 1188215362 /nfs/dbraw/zinc/21/53/62/1188215362.db2.gz HWFOYVUVXPOKGO-UHFFFAOYSA-N -1 3 334.370 2.399 20 10 EECDHM Cn1c2ccccc2cc(CNCc2cc([N+](=O)[O-])ccc2[O-])c1=O ZINC000813790147 1199175196 /nfs/dbraw/zinc/17/51/96/1199175196.db2.gz JIKICPDCIRBSDO-UHFFFAOYSA-N -1 3 339.351 2.442 20 10 EECDHM COc1cnc(O[C@@H]2CCN(Cc3cccc(Cl)c3[O-])C2)nc1 ZINC001231913486 1303945560 /nfs/dbraw/zinc/94/55/60/1303945560.db2.gz KJHOXRVELLNTBP-GFCCVEGCSA-N -1 3 335.791 2.498 20 10 EECDHM COc1cc([O-])c(CN2Cc3ccnn3CC[C@H]2CO)cc1Cl ZINC001232271550 1304061516 /nfs/dbraw/zinc/06/15/16/1304061516.db2.gz WKBZUJOURDCEFD-ZDUSSCGKSA-N -1 3 337.807 2.018 20 10 EECDHM COc1cc([O-])c(CN2C[C@H](F)[C@@H](OC)C2)cc1Br ZINC001233135378 1304372097 /nfs/dbraw/zinc/37/20/97/1304372097.db2.gz RNCDQUSCKSVDAT-GWCFXTLKSA-N -1 3 334.185 2.332 20 10 EECDHM C[C@@]1(CO)CCN(Cc2cccc(I)c2[O-])C1 ZINC001237778624 1306086513 /nfs/dbraw/zinc/08/65/13/1306086513.db2.gz YXBBZSACAHSBRG-CYBMUJFWSA-N -1 3 347.196 2.201 20 10 EECDHM [O-]c1ccc(F)c(F)c1CN1C[C@@H]2OCCN(Cc3ccc[nH]3)[C@H]2C1 ZINC001276470333 1322163088 /nfs/dbraw/zinc/16/30/88/1322163088.db2.gz MHHKUNAOZIOOBS-RDJZCZTQSA-N -1 3 349.381 2.084 20 10 EECDHM [O-]c1ccc(F)c(F)c1CN1C[C@H]2CC[C@@H](C1)N2Cc1cn[nH]c1 ZINC001276471446 1322169215 /nfs/dbraw/zinc/16/92/15/1322169215.db2.gz XARCSDHZWNTXJR-BETUJISGSA-N -1 3 334.370 2.242 20 10 EECDHM Cn1cc(CCNC(=O)c2cc(O)c([O-])c(O)c2)c2ccccc21 ZINC000586738481 1322492599 /nfs/dbraw/zinc/49/25/99/1322492599.db2.gz IVSPAMIDDCFXHL-UHFFFAOYSA-N -1 3 326.352 2.268 20 10 EECDHM O=C(C=Cc1cccnc1)N1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001581956424 1344688921 /nfs/dbraw/zinc/68/89/21/1344688921.db2.gz XFAUPZNEZDTFQF-VMPITWQZSA-N -1 3 332.367 2.254 20 10 EECDHM O=C(C=Cc1cccnc1)N1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001581956424 1344688926 /nfs/dbraw/zinc/68/89/26/1344688926.db2.gz XFAUPZNEZDTFQF-VMPITWQZSA-N -1 3 332.367 2.254 20 10 EECDHM C[C@H]([NH2+]CCCC(=O)OC(C)(C)C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589963382 1349083206 /nfs/dbraw/zinc/08/32/06/1349083206.db2.gz WRZNNNSXGRDLRS-NSHDSACASA-N -1 3 347.419 2.345 20 10 EECDHM O=C1N=C(N2CCCCC2)SC1=Cc1cccc(-c2nnn[n-]2)c1 ZINC001593402052 1349797153 /nfs/dbraw/zinc/79/71/53/1349797153.db2.gz VZSDDHJUUZMQEB-JLHYYAGUSA-N -1 3 340.412 2.323 20 10 EECDHM O=C1N=C(N2CCCCC2)SC1=Cc1cccc(-c2nn[n-]n2)c1 ZINC001593402052 1349797155 /nfs/dbraw/zinc/79/71/55/1349797155.db2.gz VZSDDHJUUZMQEB-JLHYYAGUSA-N -1 3 340.412 2.323 20 10 EECDHM c1cc(-c2nnn[n-]2)c(NCc2ccc(N3CCCCC3)cc2)nn1 ZINC001593546090 1349840383 /nfs/dbraw/zinc/84/03/83/1349840383.db2.gz YMSHDXUXCWZMFK-UHFFFAOYSA-N -1 3 336.403 2.259 20 10 EECDHM c1cc(-c2nn[n-]n2)c(NCc2ccc(N3CCCCC3)cc2)nn1 ZINC001593546090 1349840389 /nfs/dbraw/zinc/84/03/89/1349840389.db2.gz YMSHDXUXCWZMFK-UHFFFAOYSA-N -1 3 336.403 2.259 20 10 EECDHM CC[C@@H]([NH2+]CCN1CCC[C@H]1C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604053056 1350840544 /nfs/dbraw/zinc/84/05/44/1350840544.db2.gz ATELGKYJGGVEHZ-IUODEOHRSA-N -1 3 330.436 2.097 20 10 EECDHM CC[C@@H]([NH2+]CCCOCC1CC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604055695 1350841855 /nfs/dbraw/zinc/84/18/55/1350841855.db2.gz NXYSIKJSRHGLBO-OAHLLOKOSA-N -1 3 331.420 2.430 20 10 EECDHM Cc1[nH]c(-c2nnn[n-]2)cc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC001605451896 1351161277 /nfs/dbraw/zinc/16/12/77/1351161277.db2.gz KFLYKMPFXSXWBI-SNVBAGLBSA-N -1 3 339.403 2.060 20 10 EECDHM Cc1[nH]c(-c2nn[n-]n2)cc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC001605451896 1351161282 /nfs/dbraw/zinc/16/12/82/1351161282.db2.gz KFLYKMPFXSXWBI-SNVBAGLBSA-N -1 3 339.403 2.060 20 10 EECDHM COC(=O)COc1ccc(NC(=O)c2ccc(C)c(O)c2[O-])cc1 ZINC000780891401 1371171372 /nfs/dbraw/zinc/17/13/72/1371171372.db2.gz TXUCQYVSOTYXHG-UHFFFAOYSA-N -1 3 331.324 2.210 20 10 EECDHM COCC1CCC([NH2+][C@H](C)c2cccc(-c3nn[n-]n3)c2[O-])CC1 ZINC001591392596 1403909467 /nfs/dbraw/zinc/90/94/67/1403909467.db2.gz PDNYKPNNTGBUHG-PNESKVBLSA-N -1 3 331.420 2.428 20 10 EECDHM Cc1cc(F)c(S(=O)(=O)[N-]CCc2ccc(N)cc2)cc1F ZINC000193337132 1406119059 /nfs/dbraw/zinc/11/90/59/1406119059.db2.gz MWZCMDGOMWHSND-UHFFFAOYSA-N -1 3 326.368 2.376 20 10 EECDHM COc1ccc(N2CC[C@@H](CNC(=O)c3cncc([O-])c3)C2)cc1 ZINC000819587649 785598297 /nfs/dbraw/zinc/59/82/97/785598297.db2.gz GEIBWXVWFAZUMH-ZDUSSCGKSA-N -1 3 327.384 2.052 20 10 EECDHM Cc1ccc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c(C)c1 ZINC000055217644 789093325 /nfs/dbraw/zinc/09/33/25/789093325.db2.gz KNSNVXSLQSLERO-UHFFFAOYSA-N -1 3 348.424 2.311 20 10 EECDHM COc1ccc(N(C)CCN(C)C(=O)c2cccc(O)c2[O-])cc1 ZINC000846442367 790166087 /nfs/dbraw/zinc/16/60/87/790166087.db2.gz OLLYORWYTVCQSR-UHFFFAOYSA-N -1 3 330.384 2.315 20 10 EECDHM COC[C@@H]1COCCC12CCN(C(=O)c1cccc(O)c1[O-])CC2 ZINC001148213415 792246937 /nfs/dbraw/zinc/24/69/37/792246937.db2.gz ADNSUDIHRYHXNO-CYBMUJFWSA-N -1 3 335.400 2.003 20 10 EECDHM COC(=O)c1nc2cc(NC(=O)c3cccc(O)c3[O-])ccc2o1 ZINC001148219861 792253784 /nfs/dbraw/zinc/25/37/84/792253784.db2.gz CKBMMVBYOQORJS-UHFFFAOYSA-N -1 3 328.280 2.278 20 10 EECDHM O=C(Nc1ccc(F)c2c1OCCC2=O)c1cc(O)c([O-])c(O)c1 ZINC001148586370 792572624 /nfs/dbraw/zinc/57/26/24/792572624.db2.gz LTWLAJFJWCHQFC-UHFFFAOYSA-N -1 3 333.271 2.160 20 10 EECDHM CCOC(=O)[C@H](CNC(=O)c1cccc(O)c1[O-])c1ccccc1 ZINC000790785940 808918320 /nfs/dbraw/zinc/91/83/20/808918320.db2.gz AQEAPCCBYUSOIQ-CQSZACIVSA-N -1 3 329.352 2.175 20 10 EECDHM C[C@H](NCc1ccc(N2CCOCC2)cc1)c1cncc(C(=O)[O-])c1 ZINC001593300077 994729225 /nfs/dbraw/zinc/72/92/25/994729225.db2.gz ZRKHCSCOGYQYGL-AWEZNQCLSA-N -1 3 341.411 2.467 20 10 EECDHM C[C@H](NC(c1nccn1C)c1nccn1C)c1cc(F)ccc1[O-] ZINC000527949670 317291757 /nfs/dbraw/zinc/29/17/57/317291757.db2.gz XDCYWBCTHPBYDH-NSHDSACASA-N -1 3 329.379 2.439 20 10 EECDHM CC(C)OCCOC[C@H](O)CN(C)Cc1c([O-])cccc1Cl ZINC000119634340 462918400 /nfs/dbraw/zinc/91/84/00/462918400.db2.gz RIBDTUIISLUUNX-CYBMUJFWSA-N -1 3 331.840 2.280 20 10 EECDHM CCCN(CC(=O)N(C)C)Cc1cc(Br)ccc1[O-] ZINC000133664536 462958012 /nfs/dbraw/zinc/95/80/12/462958012.db2.gz USEOBPCFWHAQPT-UHFFFAOYSA-N -1 3 329.238 2.455 20 10 EECDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1cn[nH]c1 ZINC000134259893 463019959 /nfs/dbraw/zinc/01/99/59/463019959.db2.gz XIJNFZPSGDZUEK-CQSZACIVSA-N -1 3 334.807 2.163 20 10 EECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NCCOC ZINC000080665375 463343749 /nfs/dbraw/zinc/34/37/49/463343749.db2.gz FZAKPRKHAYHIQM-UHFFFAOYSA-N -1 3 331.210 2.333 20 10 EECDHM CCCC1(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCC1 ZINC000163180426 463568805 /nfs/dbraw/zinc/56/88/05/463568805.db2.gz KAPJHPWKIPHHPJ-UHFFFAOYSA-N -1 3 340.445 2.464 20 10 EECDHM C[C@@H](c1cnn(C)c1)N1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277882730 463934441 /nfs/dbraw/zinc/93/44/41/463934441.db2.gz OVELXODECYIORT-JTQLQIEISA-N -1 3 348.790 2.305 20 10 EECDHM O=C(c1cccc(O)c1[O-])N1CCCN(Cc2ccccc2)CC1 ZINC000188918958 464396461 /nfs/dbraw/zinc/39/64/61/464396461.db2.gz BIJXNNDPMQYOAA-UHFFFAOYSA-N -1 3 326.396 2.446 20 10 EECDHM C[C@@H]1[C@H](N2CCOCC2)CCN1Cc1cc(Cl)c(F)cc1[O-] ZINC000293872302 464423901 /nfs/dbraw/zinc/42/39/01/464423901.db2.gz JAIZCGYKFJEKNP-IAQYHMDHSA-N -1 3 328.815 2.480 20 10 EECDHM CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1cccc(O)c1[O-])C1CC1 ZINC000275157899 464766468 /nfs/dbraw/zinc/76/64/68/464766468.db2.gz UBUSRZUTJYKPNW-GFCCVEGCSA-N -1 3 336.388 2.131 20 10 EECDHM COc1c([O-])c(CN2C[C@H](CO)Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000367800562 466538901 /nfs/dbraw/zinc/53/89/01/466538901.db2.gz UNPBMHSHPIQAAD-GFCCVEGCSA-N -1 3 344.367 2.480 20 10 EECDHM COc1cccc([O-])c1CN1CCC[C@H]1C(=O)NCc1ccco1 ZINC000768247236 577552731 /nfs/dbraw/zinc/55/27/31/577552731.db2.gz AHQGQONSRDUWGF-HNNXBMFYSA-N -1 3 330.384 2.275 20 10 EECDHM COc1ccc(OCCS(=O)(=O)[N-]c2ccc(O)cc2F)cc1 ZINC000758169606 577617449 /nfs/dbraw/zinc/61/74/49/577617449.db2.gz VBDNYFLNEOCZEH-UHFFFAOYSA-N -1 3 341.360 2.361 20 10 EECDHM Cc1cnn(C[C@H](NCc2ccc(N3CCCCC3)cc2)C(=O)[O-])c1 ZINC000756384503 577843090 /nfs/dbraw/zinc/84/30/90/577843090.db2.gz AMLMUASJTUNGQS-SFHVURJKSA-N -1 3 342.443 2.425 20 10 EECDHM C[C@H](N[C@H]1CCN(CC(F)(F)F)C1=O)c1cc(F)cc(F)c1[O-] ZINC000756713707 577849190 /nfs/dbraw/zinc/84/91/90/577849190.db2.gz XZQVHWCQBLMOII-CPCISQLKSA-N -1 3 338.276 2.484 20 10 EECDHM CC(C)(C(=O)[O-])[C@@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000833420714 604867267 /nfs/dbraw/zinc/86/72/67/604867267.db2.gz ZAEOWQNXJNFARW-DOMZBBRYSA-N -1 3 335.400 2.141 20 10 EECDHM CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000833420714 604867270 /nfs/dbraw/zinc/86/72/70/604867270.db2.gz ZAEOWQNXJNFARW-DOMZBBRYSA-N -1 3 335.400 2.141 20 10 EECDHM O=C(NCc1ccccc1O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000823261729 606358279 /nfs/dbraw/zinc/35/82/79/606358279.db2.gz RGDKTVWQUNNBTR-UHFFFAOYSA-N -1 3 328.307 2.033 20 10 EECDHM O=C(NCc1ccccc1O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000823261729 606358281 /nfs/dbraw/zinc/35/82/81/606358281.db2.gz RGDKTVWQUNNBTR-UHFFFAOYSA-N -1 3 328.307 2.033 20 10 EECDHM COc1cc(C(=O)NCc2ccc(N(C)C)cc2)cc(OC)c1[O-] ZINC000161059566 676735123 /nfs/dbraw/zinc/73/51/23/676735123.db2.gz RKCZPCWFNWAJOW-UHFFFAOYSA-N -1 3 330.384 2.405 20 10 EECDHM CC[C@H](C)N1CC2(CN(Cc3ccc(Cl)cc3[O-])C2)OCC1=O ZINC001273157660 1197127063 /nfs/dbraw/zinc/12/70/63/1197127063.db2.gz SORVGTCKHAZXRA-LBPRGKRZSA-N -1 3 338.835 2.257 20 10 EECDHM CCCNC(=O)OC[C@H]1CCCCN1C(=O)c1cccc(O)c1[O-] ZINC000805420519 1200383636 /nfs/dbraw/zinc/38/36/36/1200383636.db2.gz HSPYXJUOYKIPBX-GFCCVEGCSA-N -1 3 336.388 2.229 20 10 EECDHM O=C1N[C@H]2CN(Cc3cc(Br)ccc3[O-])CC[C@@H]2CO1 ZINC000281096496 1229334009 /nfs/dbraw/zinc/33/40/09/1229334009.db2.gz ABYVIUBSHNUHOF-SKDRFNHKSA-N -1 3 341.205 2.085 20 10 EECDHM COC(=O)NC1CCN(Cc2cccc(Br)c2[O-])CC1 ZINC000827935309 1249108280 /nfs/dbraw/zinc/10/82/80/1249108280.db2.gz WTDVSMFHQINALK-UHFFFAOYSA-N -1 3 343.221 2.475 20 10 EECDHM [O-]c1cc(Br)ccc1CN1CCN([C@@H]2CCOC2)CC1 ZINC000827126224 1250218946 /nfs/dbraw/zinc/21/89/46/1250218946.db2.gz 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COC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1ccc(C(=O)[O-])cc1[O-])C2 ZINC001231449954 1303799563 /nfs/dbraw/zinc/79/95/63/1303799563.db2.gz LXPFRAKJXLHCRF-SJLPKXTDSA-N -1 3 335.400 2.108 20 10 EECDHM CC(C)C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C(=O)[O-])cc3[O-])CC[C@H]21 ZINC001231451690 1303801064 /nfs/dbraw/zinc/80/10/64/1303801064.db2.gz PXGZTQIUBJFBLN-GOEBONIOSA-N -1 3 346.427 2.169 20 10 EECDHM CC(C)C(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(C(=O)[O-])cc3[O-])CC[C@H]21 ZINC001231451690 1303801067 /nfs/dbraw/zinc/80/10/67/1303801067.db2.gz PXGZTQIUBJFBLN-GOEBONIOSA-N -1 3 346.427 2.169 20 10 EECDHM Cc1cnc(O[C@@H]2CCC[N@H+](Cc3ccc(C(=O)[O-])cc3[O-])C2)nc1 ZINC001231453972 1303803340 /nfs/dbraw/zinc/80/33/40/1303803340.db2.gz SBLMSKNJFPBWQW-OAHLLOKOSA-N -1 3 343.383 2.232 20 10 EECDHM Cc1cnc(O[C@@H]2CCC[N@@H+](Cc3ccc(C(=O)[O-])cc3[O-])C2)nc1 ZINC001231453972 1303803342 /nfs/dbraw/zinc/80/33/42/1303803342.db2.gz SBLMSKNJFPBWQW-OAHLLOKOSA-N -1 3 343.383 2.232 20 10 EECDHM COCCOC1CN(Cc2c([O-])cc(OC)cc2Br)C1 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3 343.383 2.232 20 10 EECDHM CC(C)(C)OC(=O)N1C[C@H]2C[N@H+](Cc3ccc(C(=O)[O-])cc3[O-])C[C@@H]21 ZINC001231453990 1303803813 /nfs/dbraw/zinc/80/38/13/1303803813.db2.gz MWSUMOOCHPDFOI-KGLIPLIRSA-N -1 3 348.399 2.142 20 10 EECDHM CC(C)(C)OC(=O)N1C[C@H]2C[N@@H+](Cc3ccc(C(=O)[O-])cc3[O-])C[C@@H]21 ZINC001231453990 1303803816 /nfs/dbraw/zinc/80/38/16/1303803816.db2.gz MWSUMOOCHPDFOI-KGLIPLIRSA-N -1 3 348.399 2.142 20 10 EECDHM COC[C@H]1c2nnn(C)c2CCN1Cc1ccc2ccccc2c1[O-] ZINC001231878410 1303935828 /nfs/dbraw/zinc/93/58/28/1303935828.db2.gz JQVAUKOGEAGDSC-KRWDZBQOSA-N -1 3 338.411 2.420 20 10 EECDHM C[C@@H]1CN(Cc2ccc(I)cc2[O-])CCO1 ZINC001232976909 1304312997 /nfs/dbraw/zinc/31/29/97/1304312997.db2.gz ZUIHGRSOCJETGJ-SECBINFHSA-N -1 3 333.169 2.218 20 10 EECDHM COC(=O)CO[C@H]1CCN(Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001236805459 1305682218 /nfs/dbraw/zinc/68/22/18/1305682218.db2.gz YZJYLAJFPDGTDF-JTQLQIEISA-N -1 3 334.199 2.463 20 10 EECDHM [O-]c1cccc(Cl)c1CN1CC[C@@H](N2CCOCC2)[C@@H](F)C1 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O=C(c1cccc(O)c1[O-])N1CCOC[C@H]1C[C@H](O)c1cccs1 ZINC000279091070 464036929 /nfs/dbraw/zinc/03/69/29/464036929.db2.gz GESZDHFBLYOGBJ-RISCZKNCSA-N -1 3 349.408 2.124 20 10 EECDHM Cc1ccc(C(=O)N2CC(N(C)Cc3ccccc3)C2)c([O-])c1O ZINC000288486035 464047104 /nfs/dbraw/zinc/04/71/04/464047104.db2.gz RGWRDFKUWFSUMR-UHFFFAOYSA-N -1 3 326.396 2.363 20 10 EECDHM CC[C@@H]1CN(Cc2cc(Cl)cc(OC)c2[O-])C[C@H](C)S1(=O)=O ZINC000289692419 464090829 /nfs/dbraw/zinc/09/08/29/464090829.db2.gz FOIRQHCNJBBFLZ-GXFFZTMASA-N -1 3 347.864 2.452 20 10 EECDHM Cc1cc(Br)cc(CN(C)CC(=O)NC2CC2)c1[O-] ZINC000179606726 464163932 /nfs/dbraw/zinc/16/39/32/464163932.db2.gz RMQOXLLHXMYCGP-UHFFFAOYSA-N -1 3 327.222 2.174 20 10 EECDHM C[C@@H](NCC(=O)NCC(F)F)c1cc(Br)ccc1[O-] ZINC000280754616 464246076 /nfs/dbraw/zinc/24/60/76/464246076.db2.gz DYKNVZMOCQLNRO-SSDOTTSWSA-N -1 3 337.164 2.187 20 10 EECDHM C[C@@H]1[C@@H](C)[S@@](=O)CCN1Cc1cc(Br)ccc1[O-] ZINC000271161532 464285536 /nfs/dbraw/zinc/28/55/36/464285536.db2.gz 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EECDHM O=C([O-])c1ccc(C[N@@H+]2CC[C@]3(C2)C(=O)Nc2ccccc23)c([O-])c1 ZINC001231449765 1303800041 /nfs/dbraw/zinc/80/00/41/1303800041.db2.gz KKJDHXOXPNMGBX-LJQANCHMSA-N -1 3 338.363 2.186 20 10 EECDHM O=C([O-])c1ccc(C[N@H+]2CC[C@]3(C2)C(=O)Nc2ccccc23)c([O-])c1 ZINC001231449765 1303800045 /nfs/dbraw/zinc/80/00/45/1303800045.db2.gz KKJDHXOXPNMGBX-LJQANCHMSA-N -1 3 338.363 2.186 20 10 EECDHM COC[C@H]1COCCC12CC[NH+](Cc1cc(C(=O)[O-])ccc1[O-])CC2 ZINC001231563155 1303848470 /nfs/dbraw/zinc/84/84/70/1303848470.db2.gz HMSPFIQSUNLZOR-INIZCTEOSA-N -1 3 349.427 2.356 20 10 EECDHM CC(C)(C)OC(=O)N1C[C@@H]2CN(Cc3cc(C(=O)[O-])ccc3O)C[C@@H]21 ZINC001231565937 1303849194 /nfs/dbraw/zinc/84/91/94/1303849194.db2.gz FBYOUMJDZDYRRX-KBPBESRZSA-N -1 3 348.399 2.142 20 10 EECDHM COC(=O)[C@@H]1CC(F)(F)CN1Cc1cc(Cl)c(OC)cc1[O-] ZINC001232269883 1304060276 /nfs/dbraw/zinc/06/02/76/1304060276.db2.gz LXWLSESOTBXPPS-JTQLQIEISA-N -1 3 335.734 2.437 20 10 EECDHM C[C@H]1COCCN(Cc2ccc(I)cc2[O-])C1 ZINC001232975263 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/nfs/dbraw/zinc/65/25/66/1315652566.db2.gz XXGNFFFZYGJGED-CYBMUJFWSA-N -1 3 347.365 2.460 20 10 EECDHM CCOC(=O)[C@@H]1CCN(Cc2cc(Cl)ccc2[O-])CCC1=O ZINC001203657733 1321934187 /nfs/dbraw/zinc/93/41/87/1321934187.db2.gz MWYPXDWNORYMLB-CYBMUJFWSA-N -1 3 325.792 2.390 20 10 EECDHM C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)N1Cc1c([O-])cccc1Br ZINC001308846025 1331606004 /nfs/dbraw/zinc/60/60/04/1331606004.db2.gz XUCPDJMTZQSRDQ-IVZWLZJFSA-N -1 3 327.222 2.252 20 10 EECDHM C[C@@H]([NH2+]C[C@@H]1CCN1C(C)(C)C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589961986 1349082549 /nfs/dbraw/zinc/08/25/49/1349082549.db2.gz FXOZDZHLYLNQIY-NEPJUHHUSA-N -1 3 330.436 2.096 20 10 EECDHM CC[C@@H]([NH2+]CC1([C@@H](O)C(C)C)CC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590465726 1349342102 /nfs/dbraw/zinc/34/21/02/1349342102.db2.gz VNQVCAVYIVHLGY-ZBFHGGJFSA-N -1 3 345.447 2.410 20 10 EECDHM C[C@H]([NH2+]C1([C@H]2CCCCO2)CC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603649861 1350734386 /nfs/dbraw/zinc/73/43/86/1350734386.db2.gz 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CC(C)C(=O)N1CCN(Cc2c([O-])cccc2Br)CC1 ZINC000862213240 1369523535 /nfs/dbraw/zinc/52/35/35/1369523535.db2.gz PTTXXSAPVPGZRB-UHFFFAOYSA-N -1 3 341.249 2.455 20 10 EECDHM CN(C)C(=O)O[C@H]1CCN(Cc2cccc(Br)c2[O-])C1 ZINC000824576562 788221263 /nfs/dbraw/zinc/22/12/63/788221263.db2.gz OVSXSIKYNNQEQX-NSHDSACASA-N -1 3 343.221 2.427 20 10 EECDHM CN(Cc1ncccc1C(F)(F)F)C(=O)c1cc(O)c([O-])c(O)c1 ZINC001148582844 792568431 /nfs/dbraw/zinc/56/84/31/792568431.db2.gz NHOQZPSMLIOTCE-UHFFFAOYSA-N -1 3 342.273 2.489 20 10 EECDHM COc1ccc(O[C@@H](C)CNC(=O)c2cc(O)c([O-])c(O)c2)cc1 ZINC001148589558 792574366 /nfs/dbraw/zinc/57/43/66/792574366.db2.gz BTBOIBXLCNFKRT-JTQLQIEISA-N -1 3 333.340 2.009 20 10 EECDHM COc1cc2c(cc1C)C[C@H](NC(=O)c1cc(O)c([O-])c(O)c1)C2 ZINC001148590049 792574651 /nfs/dbraw/zinc/57/46/51/792574651.db2.gz WMZJTAMHJMFLJY-ZDUSSCGKSA-N -1 3 329.352 2.018 20 10 EECDHM O=C1N=NCN1C1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000825496647 800338875 /nfs/dbraw/zinc/33/88/75/800338875.db2.gz 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345.395 2.451 20 10 EECDHM COc1ccc(N2CCN(C(=O)c3ccc(C)c(O)c3[O-])CC2)cc1 ZINC000181771398 464528589 /nfs/dbraw/zinc/52/85/89/464528589.db2.gz BHPZGWOPPXOMRQ-UHFFFAOYSA-N -1 3 342.395 2.377 20 10 EECDHM CN(Cc1ccccc1[O-])C[C@](C)(O)c1ccc(S(C)(=O)=O)cc1 ZINC000182652182 464701671 /nfs/dbraw/zinc/70/16/71/464701671.db2.gz CQFSJPSWRTUVAF-SFHVURJKSA-N -1 3 349.452 2.135 20 10 EECDHM COc1cc(Cl)cc(CN2CCC[C@H](S(C)(=O)=O)C2)c1[O-] ZINC000274082480 464734132 /nfs/dbraw/zinc/73/41/32/464734132.db2.gz HJCOKLBGUNNXAT-LBPRGKRZSA-N -1 3 333.837 2.063 20 10 EECDHM Cc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c([O-])c1O ZINC000267545923 464936338 /nfs/dbraw/zinc/93/63/38/464936338.db2.gz BMMSPDIAGZWRDQ-UHFFFAOYSA-N -1 3 336.388 2.099 20 10 EECDHM COC(=O)CN(CCC1OCCCO1)Cc1cc(Cl)ccc1[O-] ZINC000267899612 464942971 /nfs/dbraw/zinc/94/29/71/464942971.db2.gz AXRYYIRVIYCZNV-UHFFFAOYSA-N -1 3 343.807 2.174 20 10 EECDHM CC(=O)c1cc(F)cc(CN2CCNC(=O)[C@@H]2c2cccs2)c1[O-] ZINC000370217111 466800644 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O=C(CNC(=O)c1cc([O-])cs1)Nc1ccc(F)c(F)c1F ZINC000731867908 577130961 /nfs/dbraw/zinc/13/09/61/577130961.db2.gz BDHOBWGTFDITRB-UHFFFAOYSA-N -1 3 330.287 2.240 20 10 EECDHM COCC1(O)CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000769451838 577578169 /nfs/dbraw/zinc/57/81/69/577578169.db2.gz OOSYKQFCGXNLFO-UHFFFAOYSA-N -1 3 330.222 2.128 20 10 EECDHM Cc1ccc(C(=O)Nc2ccc(NC(=O)CN(C)C)cc2)c([O-])c1O ZINC000770502482 577597559 /nfs/dbraw/zinc/59/75/59/577597559.db2.gz JWOMVMOUIKQIEU-UHFFFAOYSA-N -1 3 343.383 2.159 20 10 EECDHM CCOc1ccc(CN2CCN(C(=O)N(C)C)CC2(C)C)c([O-])c1 ZINC000761225339 577679711 /nfs/dbraw/zinc/67/97/11/577679711.db2.gz DSTZMYKFZVFUBK-UHFFFAOYSA-N -1 3 335.448 2.369 20 10 EECDHM C[C@@H](N[C@@H]1CC(=O)N(C)C1)c1cc(Br)c(F)cc1[O-] ZINC000756529325 577845845 /nfs/dbraw/zinc/84/58/45/577845845.db2.gz XUWSUHLJZFBFKP-HTQZYQBOSA-N -1 3 331.185 2.175 20 10 EECDHM C[C@H](NCc1nnnn1C1CC1)c1cc(Br)ccc1[O-] ZINC000756733349 577849518 /nfs/dbraw/zinc/84/95/18/577849518.db2.gz QGWXNDFUHRARFX-QMMMGPOBSA-N -1 3 338.209 2.327 20 10 EECDHM C[C@H]1C[C@@H](Nc2cnn(CC(=O)N(C)C)c2)c2c1c(F)ccc2[O-] ZINC000757640550 577861623 /nfs/dbraw/zinc/86/16/23/577861623.db2.gz XXTMXENEPVLGKU-GXFFZTMASA-N -1 3 332.379 2.476 20 10 EECDHM COc1c([O-])c([C@H]2Nc3cc(C)ccc3C(=O)N2)ccc1[N+](=O)[O-] ZINC000877863338 1200141887 /nfs/dbraw/zinc/14/18/87/1200141887.db2.gz DXAMBIBZGVZKNO-HNNXBMFYSA-N -1 3 329.312 2.472 20 10 EECDHM CCOC(=O)[C@H](F)C1CN(Cc2ccc(Br)cc2[O-])C1 ZINC000826013503 1200220042 /nfs/dbraw/zinc/22/00/42/1200220042.db2.gz VXFJOXRLWKVCCI-CYBMUJFWSA-N -1 3 346.196 2.488 20 10 EECDHM CC(C)NC(=O)N1C[C@H]2C[C@@H](C1)N(Cc1cc(F)c(F)cc1[O-])C2 ZINC001275772815 1205521173 /nfs/dbraw/zinc/52/11/73/1205521173.db2.gz DSPGDPDLIOPAGU-AAEUAGOBSA-N -1 3 339.386 2.295 20 10 EECDHM O=C(Nc1n[nH]c(Cc2cccc(F)c2)n1)c1cccc(O)c1[O-] ZINC000193153360 1210742876 /nfs/dbraw/zinc/74/28/76/1210742876.db2.gz XEPLDJLVUYMKBY-UHFFFAOYSA-N -1 3 328.303 2.198 20 10 EECDHM CCN1C[C@@H](C)N(Cc2cc(Br)ccc2[O-])CC1=O ZINC001203650350 1279333346 /nfs/dbraw/zinc/33/33/46/1279333346.db2.gz QAHAOQSCIQFRSA-SNVBAGLBSA-N -1 3 327.222 2.207 20 10 EECDHM COc1ccc(O)c([C@@H](C)NC(=O)c2nnc3ccccc3c2[O-])c1 ZINC000111608368 1292465096 /nfs/dbraw/zinc/46/50/96/1292465096.db2.gz UDWCWZPMJDHKIX-SNVBAGLBSA-N -1 3 339.351 2.128 20 10 EECDHM Cc1cc(O[C@H]2CCOC2=O)c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001229538299 1302842980 /nfs/dbraw/zinc/84/29/80/1302842980.db2.gz AXADZBCHFQLYQY-ZDUSSCGKSA-N -1 3 338.315 2.170 20 10 EECDHM Cc1cc(O[C@H](C)CON)c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001229543011 1302846385 /nfs/dbraw/zinc/84/63/85/1302846385.db2.gz UAUMYWDSLBNOHS-SNVBAGLBSA-N -1 3 327.336 2.134 20 10 EECDHM CC(C)(C)OC(=O)N1C[C@H]2C[N@H+](Cc3ccc(C(=O)[O-])cc3[O-])C[C@H]21 ZINC001231453995 1303803051 /nfs/dbraw/zinc/80/30/51/1303803051.db2.gz MWSUMOOCHPDFOI-ZIAGYGMSSA-N -1 3 348.399 2.142 20 10 EECDHM CC(C)(C)OC(=O)N1C[C@H]2C[N@@H+](Cc3ccc(C(=O)[O-])cc3[O-])C[C@H]21 ZINC001231453995 1303803056 /nfs/dbraw/zinc/80/30/56/1303803056.db2.gz MWSUMOOCHPDFOI-ZIAGYGMSSA-N -1 3 348.399 2.142 20 10 EECDHM COC(=O)[C@H]1CN(Cc2ccc(C(=O)[O-])cc2O)Cc2ccccc21 ZINC001231454109 1303803732 /nfs/dbraw/zinc/80/37/32/1303803732.db2.gz NOYREWWKMMNZSQ-INIZCTEOSA-N -1 3 341.363 2.363 20 10 EECDHM CC(C)(C)C(=O)N1CCN(Cc2cc(Cl)c([O-])cc2O)CC1 ZINC001232262277 1304056897 /nfs/dbraw/zinc/05/68/97/1304056897.db2.gz AOGVPEJLWYLVKS-UHFFFAOYSA-N -1 3 326.824 2.442 20 10 EECDHM COc1cccnc1N1CCN(Cc2cc(Cl)c([O-])cc2O)CC1 ZINC001232262891 1304057203 /nfs/dbraw/zinc/05/72/03/1304057203.db2.gz UWVMDBPBXJGUJQ-UHFFFAOYSA-N -1 3 349.818 2.477 20 10 EECDHM CN(Cc1ncnn1CC(F)F)Cc1c([O-])ccc2ccncc21 ZINC000782980527 1304168205 /nfs/dbraw/zinc/16/82/05/1304168205.db2.gz MVIXZVBTPIWOSR-UHFFFAOYSA-N -1 3 333.342 2.429 20 10 EECDHM C[C@@H]1C[C@H](O)CCN1Cc1ccc(I)cc1[O-] ZINC001232977441 1304313656 /nfs/dbraw/zinc/31/36/56/1304313656.db2.gz BWGJBUIQRIWKDC-BXKDBHETSA-N -1 3 347.196 2.342 20 10 EECDHM [O-]c1ccc(F)c(F)c1CN1CCN(CCc2ccncc2)CC1 ZINC001233334443 1304434909 /nfs/dbraw/zinc/43/49/09/1304434909.db2.gz HCILVZHFDSHHEJ-UHFFFAOYSA-N -1 3 333.382 2.426 20 10 EECDHM CN(C1CN(Cc2cccc(C(F)(F)F)c2[O-])C1)[C@H]1CCOC1 ZINC001233418596 1304461945 /nfs/dbraw/zinc/46/19/45/1304461945.db2.gz NPPWYCODKYVFAL-LBPRGKRZSA-N -1 3 330.350 2.316 20 10 EECDHM C[C@@H]([NH2+]CCc1cn2c(n1)SCC2)c1cc(C(=O)[O-])ccc1[O-] ZINC001604342468 1350920097 /nfs/dbraw/zinc/92/00/97/1350920097.db2.gz WNKCWZHVFKXDCS-SNVBAGLBSA-N -1 3 333.413 2.286 20 10 EECDHM O=C1[C@H](NCc2cc([N+](=O)[O-])ccc2[O-])CCN1c1ccc(F)cc1 ZINC001308435675 1331591690 /nfs/dbraw/zinc/59/16/90/1331591690.db2.gz BPTPEXMSKNSXNI-OAHLLOKOSA-N -1 3 345.330 2.335 20 10 EECDHM CNC(=O)Cc1ccc(NC(=O)NCc2c([O-])cccc2F)cc1 ZINC001310029930 1331651546 /nfs/dbraw/zinc/65/15/46/1331651546.db2.gz ASHYGWHVSQVCSK-UHFFFAOYSA-N -1 3 331.347 2.142 20 10 EECDHM C[C@H]([NH2+]C[C@]1(C)CCCC[C@@H]1O)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589977796 1349088872 /nfs/dbraw/zinc/08/88/72/1349088872.db2.gz JFAJBSKJGPRRKP-YLVFBTJISA-N -1 3 331.420 2.164 20 10 EECDHM CC[C@H]([NH2+]CC1(CF)CCOCC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590466612 1349341562 /nfs/dbraw/zinc/34/15/62/1349341562.db2.gz ZLAAYNQUMTYWLN-AWEZNQCLSA-N -1 3 349.410 2.379 20 10 EECDHM CC[C@@H]([NH2+]Cc1cccnc1OC)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590470389 1349345215 /nfs/dbraw/zinc/34/52/15/1349345215.db2.gz WIEJIPBRSDWGJG-CQSZACIVSA-N -1 3 340.387 2.217 20 10 EECDHM Cc1ccc([C@@H](O)C[NH2+][C@H](C)c2cccc(-c3nn[n-]n3)c2[O-])cc1 ZINC001592196283 1349603330 /nfs/dbraw/zinc/60/33/30/1349603330.db2.gz LMVPDPBRSQQNQH-WBMJQRKESA-N -1 3 339.399 2.265 20 10 EECDHM Cc1cc(-c2nnn[n-]2)cc(C)c1C(=O)N1Cc2cccc(O)c2C1 ZINC001591841189 1403958762 /nfs/dbraw/zinc/95/87/62/1403958762.db2.gz YOSCMAFMCUUCQR-UHFFFAOYSA-N -1 3 335.367 2.345 20 10 EECDHM Cc1cc(-c2nn[n-]n2)cc(C)c1C(=O)N1Cc2cccc(O)c2C1 ZINC001591841189 1403958768 /nfs/dbraw/zinc/95/87/68/1403958768.db2.gz YOSCMAFMCUUCQR-UHFFFAOYSA-N -1 3 335.367 2.345 20 10 EECDHM O=C(C=Cc1ccc(O)c(O)c1)Nc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001592791108 1404722410 /nfs/dbraw/zinc/72/24/10/1404722410.db2.gz CAWWQFNKKITKFT-RQOWECAXSA-N -1 3 341.302 2.069 20 10 EECDHM O=C(C=Cc1ccc(O)c(O)c1)Nc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001592791108 1404722417 /nfs/dbraw/zinc/72/24/17/1404722417.db2.gz CAWWQFNKKITKFT-RQOWECAXSA-N -1 3 341.302 2.069 20 10 EECDHM CCN(CC)C(=O)CN(C)Cc1c([O-])cccc1Br ZINC000707133760 786139202 /nfs/dbraw/zinc/13/92/02/786139202.db2.gz ZNPUBRMGWOUOLJ-UHFFFAOYSA-N -1 3 329.238 2.455 20 10 EECDHM C[C@@H]1[C@@H](C)S(=O)(=O)CCN1Cc1ccc(Br)cc1[O-] ZINC000824848840 788336383 /nfs/dbraw/zinc/33/63/83/788336383.db2.gz BJSHZQSDMBFBHW-NXEZZACHSA-N -1 3 348.262 2.162 20 10 EECDHM Cc1ccc(C)n1-c1ccsc1C(=O)[N-]N1C(=O)[C@@H](C)N(C)C1=O ZINC000912821525 788386145 /nfs/dbraw/zinc/38/61/45/788386145.db2.gz DHNRAMCOJYPPSD-LLVKDONJSA-N -1 3 346.412 2.083 20 10 EECDHM COc1ccc2ccc([O-])c(CN3CCS(=O)(=O)C[C@H]3C)c2c1 ZINC000172612019 791741671 /nfs/dbraw/zinc/74/16/71/791741671.db2.gz BPPSGVNXKGLRKN-GFCCVEGCSA-N -1 3 335.425 2.173 20 10 EECDHM O=C(c1cccc(O)c1[O-])N1CC[C@@H](N2CCCC2)C(F)(F)C1 ZINC001148218995 792254179 /nfs/dbraw/zinc/25/41/79/792254179.db2.gz QNQPQUSMZMSJFJ-CYBMUJFWSA-N -1 3 326.343 2.043 20 10 EECDHM C[C@@H]1CN(Cc2ccc(I)cc2[O-])CC[C@@H]1O ZINC001232974843 792358293 /nfs/dbraw/zinc/35/82/93/792358293.db2.gz SEVYOKFHXTZCCU-SKDRFNHKSA-N -1 3 347.196 2.200 20 10 EECDHM COCCOCc1ccc(CNC(=O)c2cccc(O)c2[O-])cc1 ZINC000291511880 533143842 /nfs/dbraw/zinc/14/38/42/533143842.db2.gz QSBVACZORYZNGN-UHFFFAOYSA-N -1 3 331.368 2.191 20 10 EECDHM COC(=O)C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])c2ccccc21 ZINC000366167303 533643786 /nfs/dbraw/zinc/64/37/86/533643786.db2.gz AWWKRRZAYOKRNT-LLVKDONJSA-N -1 3 327.336 2.405 20 10 EECDHM COc1cccc(S(=O)(=O)CCN(C)Cc2ccccc2[O-])c1 ZINC000109773778 533680031 /nfs/dbraw/zinc/68/00/31/533680031.db2.gz UMXWRAOJNXPWNT-UHFFFAOYSA-N -1 3 335.425 2.307 20 10 EECDHM Cc1cc([N-]C(=O)[C@@H](C)N2CCOc3cc(N(C)C)ccc32)on1 ZINC000130459624 462757732 /nfs/dbraw/zinc/75/77/32/462757732.db2.gz BSTIXRIGIZITOS-GFCCVEGCSA-N -1 3 330.388 2.275 20 10 EECDHM [O-]c1ccc(Br)cc1CN1CCN(c2cnccn2)CC1 ZINC000157873786 463180395 /nfs/dbraw/zinc/18/03/95/463180395.db2.gz IAWHIXLATKZKBR-UHFFFAOYSA-N -1 3 349.232 2.267 20 10 EECDHM CCCOc1ccc(CN2CCO[C@@H](Cn3cccn3)C2)c([O-])c1 ZINC000122281963 463253110 /nfs/dbraw/zinc/25/31/10/463253110.db2.gz PJZRVBQNTOZIRX-QGZVFWFLSA-N -1 3 331.416 2.279 20 10 EECDHM CC(C)CC[C@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000055184800 463293261 /nfs/dbraw/zinc/29/32/61/463293261.db2.gz MGUCQNOFJKFTDP-NSHDSACASA-N -1 3 328.434 2.318 20 10 EECDHM NS(=O)(=O)c1ccc2c(c1)CCN2Cc1cc(Cl)ccc1[O-] ZINC000127226668 463689970 /nfs/dbraw/zinc/68/99/70/463689970.db2.gz ZWIIOBKLNOOSQB-UHFFFAOYSA-N -1 3 338.816 2.256 20 10 EECDHM Cc1ccc(C(=O)N2CCC[C@H]2CN2C[C@@H](C)O[C@H](C)C2)c([O-])c1O ZINC000177676342 463764069 /nfs/dbraw/zinc/76/40/69/463764069.db2.gz LRRUECFDSARTAB-KFWWJZLASA-N -1 3 348.443 2.120 20 10 EECDHM CN(Cc1noc(CNC(=O)OC(C)(C)C)n1)Cc1ccccc1[O-] ZINC000283459054 463891379 /nfs/dbraw/zinc/89/13/79/463891379.db2.gz YPNNHTZAHQCXLL-UHFFFAOYSA-N -1 3 348.403 2.432 20 10 EECDHM CC(=O)c1cc(F)cc(CN2CC[C@@H](C(=O)N3CCCC3)C2)c1[O-] ZINC000287496607 463905754 /nfs/dbraw/zinc/90/57/54/463905754.db2.gz SZYRZIVCQQGNDB-CYBMUJFWSA-N -1 3 334.391 2.178 20 10 EECDHM CC(C)[C@@H](C(=O)NCc1cccc(Br)c1[O-])N(C)C ZINC000277650260 463924065 /nfs/dbraw/zinc/92/40/65/463924065.db2.gz YXKRAQCOAKZZKD-LBPRGKRZSA-N -1 3 329.238 2.357 20 10 EECDHM COc1c([O-])c(CN[C@H]2c3ccccc3C[C@@H]2O)ccc1[N+](=O)[O-] ZINC000278473256 463966368 /nfs/dbraw/zinc/96/63/68/463966368.db2.gz HPVPYSANAQLIPS-GJZGRUSLSA-N -1 3 330.340 2.057 20 10 EECDHM O=C(c1cccc(O)c1[O-])N1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000279041963 464027426 /nfs/dbraw/zinc/02/74/26/464027426.db2.gz AFHXXIZQEAQIKX-WMLDXEAASA-N -1 3 343.379 2.063 20 10 EECDHM O=C(c1cccc(O)c1[O-])N1CCN(c2ccc(Cl)cn2)CC1 ZINC000187026958 464091752 /nfs/dbraw/zinc/09/17/52/464091752.db2.gz WFKOIRGJSQLOCJ-UHFFFAOYSA-N -1 3 333.775 2.109 20 10 EECDHM C[C@@H](NCCS(=O)(=O)N(C)C)c1cc(Cl)c(Cl)cc1[O-] ZINC000290285913 464113576 /nfs/dbraw/zinc/11/35/76/464113576.db2.gz XOLWZYVREUTFOI-MRVPVSSYSA-N -1 3 341.260 2.241 20 10 EECDHM Cc1ncc(S(=O)(=O)[N-]Cc2ccc(N(C)C)c(F)c2)s1 ZINC000269945384 464135100 /nfs/dbraw/zinc/13/51/00/464135100.db2.gz GINONZNINSSQIT-UHFFFAOYSA-N -1 3 329.422 2.135 20 10 EECDHM COc1ccc(COCCCNC(=O)c2cccc(O)c2[O-])cc1 ZINC000280360705 464199335 /nfs/dbraw/zinc/19/93/35/464199335.db2.gz BUGNCKBGQZTYIC-UHFFFAOYSA-N -1 3 331.368 2.443 20 10 EECDHM CCC1(CC)CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000294600046 464548482 /nfs/dbraw/zinc/54/84/82/464548482.db2.gz ZKRVEZUBPDZJDD-UHFFFAOYSA-N -1 3 326.418 2.026 20 10 EECDHM CC(=O)c1cc(F)cc(CN[C@@]2(CO)CCOc3ccccc32)c1[O-] ZINC000281805000 464591498 /nfs/dbraw/zinc/59/14/98/464591498.db2.gz VONCLQFTPGZOKW-LJQANCHMSA-N -1 3 345.370 2.494 20 10 EECDHM C[C@@H](NCC1(S(C)(=O)=O)CCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000285617027 464630755 /nfs/dbraw/zinc/63/07/55/464630755.db2.gz JODWRLLQWDAZFU-LLVKDONJSA-N -1 3 342.417 2.308 20 10 EECDHM CC(=O)NCCN(Cc1ccccc1[O-])[C@H](C)C(=O)OC(C)(C)C ZINC000272874765 464693219 /nfs/dbraw/zinc/69/32/19/464693219.db2.gz MQPMVXMGCWKBFZ-CYBMUJFWSA-N -1 3 336.432 2.061 20 10 EECDHM CCCC[C@@H](C)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000291972279 528760098 /nfs/dbraw/zinc/76/00/98/528760098.db2.gz IGOPHROEBSMGEX-LLVKDONJSA-N -1 3 328.434 2.414 20 10 EECDHM COC(=O)c1ccc([O-])c([C@@H]2Nc3ccc(OC)cc3C(=O)N2C)c1 ZINC000726797081 576300278 /nfs/dbraw/zinc/30/02/78/576300278.db2.gz ZXVBTGHYQAYOAG-MRXNPFEDSA-N -1 3 342.351 2.384 20 10 EECDHM CN(C)c1nccc(CNCc2cccc(Br)c2[O-])n1 ZINC000776497848 577460971 /nfs/dbraw/zinc/46/09/71/577460971.db2.gz ZVTTYPLCYBQDIC-UHFFFAOYSA-N -1 3 337.221 2.301 20 10 EECDHM COc1ccc2c(c1)CN(Cc1cc3c(cc1[O-])OC[C@@H]3O)CC2 ZINC000768441015 577555665 /nfs/dbraw/zinc/55/56/65/577555665.db2.gz CMVOXKBDADSWPQ-SFHVURJKSA-N -1 3 327.380 2.385 20 10 EECDHM COC(=O)COc1ccc([C@H](C)NC(=O)c2cc([O-])cs2)cc1 ZINC000768737027 577561630 /nfs/dbraw/zinc/56/16/30/577561630.db2.gz ZCPBILGOCMNOQX-JTQLQIEISA-N -1 3 335.381 2.497 20 10 EECDHM COc1cc(Br)cc(CN2CCc3c[nH]nc3C2)c1[O-] ZINC000769469466 577578616 /nfs/dbraw/zinc/57/86/16/577578616.db2.gz YCHMWUCDBCQCNG-UHFFFAOYSA-N -1 3 338.205 2.445 20 10 EECDHM COCCc1noc(CN(C)Cc2c([O-])ccc3ccncc32)n1 ZINC000758402684 577623929 /nfs/dbraw/zinc/62/39/29/577623929.db2.gz CLRMCEKWEOALDN-UHFFFAOYSA-N -1 3 328.372 2.144 20 10 EECDHM CC(C)Oc1ccc(N(C)Cc2nc3c(cnn3C)c(=O)[n-]2)cc1 ZINC000759927946 577654167 /nfs/dbraw/zinc/65/41/67/577654167.db2.gz JEVRPTDSJOPBAN-UHFFFAOYSA-N -1 3 327.388 2.493 20 10 EECDHM CCc1ncc(S(=O)(=O)[N-][C@H](C)c2cc(OC)ccc2O)s1 ZINC000763578034 577722945 /nfs/dbraw/zinc/72/29/45/577722945.db2.gz LYPHNRDGGADTAG-SECBINFHSA-N -1 3 342.442 2.459 20 10 EECDHM O=C([O-])[C@H](CNCc1ccc2c(c1)CCO2)Oc1ccc(F)cc1 ZINC000756312488 577841866 /nfs/dbraw/zinc/84/18/66/577841866.db2.gz QOZPAHZBBYDAJO-KRWDZBQOSA-N -1 3 331.343 2.382 20 10 EECDHM O=C([O-])c1cnn2c1[nH]c(CN1CCC3(C1)CCCCC3)cc2=O ZINC000738703118 578024313 /nfs/dbraw/zinc/02/43/13/578024313.db2.gz KWPLAVGJRLDVDH-UHFFFAOYSA-N -1 3 330.388 2.289 20 10 EECDHM CN(Cc1ccccc1O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821615549 606347753 /nfs/dbraw/zinc/34/77/53/606347753.db2.gz BLGRGMPTHDOWMF-UHFFFAOYSA-N -1 3 342.334 2.375 20 10 EECDHM CN(Cc1ccccc1O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000821615549 606347754 /nfs/dbraw/zinc/34/77/54/606347754.db2.gz BLGRGMPTHDOWMF-UHFFFAOYSA-N -1 3 342.334 2.375 20 10 EECDHM CN(C)c1ccc([C@@H](CNC(=O)CC(C)(C)CC(=O)[O-])N(C)C)cc1 ZINC000899854924 693901977 /nfs/dbraw/zinc/90/19/77/693901977.db2.gz QCUJZQHYPCLHRU-MRXNPFEDSA-N -1 3 349.475 2.363 20 10 EECDHM CN(Cc1cccc(Br)c1[O-])[C@H]1CCCCNC1=O ZINC000123926208 684874412 /nfs/dbraw/zinc/87/44/12/684874412.db2.gz CVUFLDLLVZEOSF-LBPRGKRZSA-N -1 3 327.222 2.255 20 10 EECDHM CC(C)=CCN1CC[C@]2(CCCN2C(=O)c2cccc(O)c2[O-])C1=O ZINC001269685990 1184510954 /nfs/dbraw/zinc/51/09/54/1184510954.db2.gz 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ZINC000862222739 1295757730 /nfs/dbraw/zinc/75/77/30/1295757730.db2.gz JRZBAOVPIPHXCG-CYBMUJFWSA-N -1 3 339.233 2.398 20 10 EECDHM Cc1ccc(C(=O)NCCC(=O)NCc2cc(C)ccc2O)c([O-])c1 ZINC000862757550 1295953599 /nfs/dbraw/zinc/95/35/99/1295953599.db2.gz YETCJDGIGZEVOZ-UHFFFAOYSA-N -1 3 342.395 2.151 20 10 EECDHM O=c1c2cc(O)c(O)cc2oc2cc([O-])cc(OC[C@H]3C[C@H](O)C3)c12 ZINC001218430349 1297661519 /nfs/dbraw/zinc/66/15/19/1297661519.db2.gz PVBNBCISTQCSFE-KYZUINATSA-N -1 3 344.319 2.213 20 10 EECDHM O=C(NCC(F)F)[C@@]12C[C@@H]1CCN2Cc1cc(Cl)ccc1[O-] ZINC001277457139 1303227372 /nfs/dbraw/zinc/22/73/72/1303227372.db2.gz HEZGCPPIQXUWAG-ZUZCIYMTSA-N -1 3 330.762 2.391 20 10 EECDHM COC(=O)c1n[nH]c2ccc(NC(=O)c3ccc(C)c(O)c3[O-])cc21 ZINC000780875009 1303712178 /nfs/dbraw/zinc/71/21/78/1303712178.db2.gz KUDUVOIXKFVKDL-UHFFFAOYSA-N -1 3 341.323 2.321 20 10 EECDHM O=C([O-])c1ccc(O)c(CN2CCC[C@@H](C(F)(F)F)[C@H]2CO)c1 ZINC001231561757 1303847154 /nfs/dbraw/zinc/84/71/54/1303847154.db2.gz 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C[C@@H](CN1CCOCC1)N(C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000279439917 464105447 /nfs/dbraw/zinc/10/54/47/464105447.db2.gz PAISLWFGFBYDJN-NSHDSACASA-N -1 3 343.811 2.106 20 10 EECDHM COC[C@H]1CN(Cc2cc(Br)ccc2[O-])C[C@@H](C)O1 ZINC000188338380 464258610 /nfs/dbraw/zinc/25/86/10/464258610.db2.gz SUWOVVDTNPJHIV-ZWNOBZJWSA-N -1 3 330.222 2.390 20 10 EECDHM CCCOc1ccc(CN2CCC[C@H](S(C)(=O)=O)C2)c([O-])c1 ZINC000274038365 464732286 /nfs/dbraw/zinc/73/22/86/464732286.db2.gz AOJDXDSIEXQECJ-HNNXBMFYSA-N -1 3 327.446 2.190 20 10 EECDHM CCN1C(=S)N=NC1C1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000275126817 464764948 /nfs/dbraw/zinc/76/49/48/464764948.db2.gz NDHASZRKYFGAQL-UHFFFAOYSA-N -1 3 348.428 2.018 20 10 EECDHM Cc1c2ccccc2n(C)c1CNC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000352110931 465475009 /nfs/dbraw/zinc/47/50/09/465475009.db2.gz HKSXKEXLHBHEMI-UHFFFAOYSA-N -1 3 338.411 2.458 20 10 EECDHM [O-]c1cc2c(cc1CN1CCc3nc(C4CC4)ncc3C1)[C@H](O)CO2 ZINC000530107192 467951016 /nfs/dbraw/zinc/95/10/16/467951016.db2.gz 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EECDHM Cn1cccc1CNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000822693992 599239664 /nfs/dbraw/zinc/23/96/64/599239664.db2.gz QPIKETXBVSAYSF-UHFFFAOYSA-N -1 3 347.835 2.345 20 10 EECDHM Cc1ccc(C(=O)Nc2ccc(-n3cncn3)c(F)c2)c([O-])c1O ZINC000179439513 679830050 /nfs/dbraw/zinc/83/00/50/679830050.db2.gz CROXIBUAZNLXIH-UHFFFAOYSA-N -1 3 328.303 2.378 20 10 EECDHM Cc1ccc(C(=O)Nc2ccn(CCc3ccncc3)n2)c([O-])c1O ZINC000177677978 681443259 /nfs/dbraw/zinc/44/32/59/681443259.db2.gz OHSLDRDMVYZFKD-UHFFFAOYSA-N -1 3 338.367 2.493 20 10 EECDHM CCNC(=O)N1CCN(Cc2c([O-])cccc2Br)CC1 ZINC000722196394 687241927 /nfs/dbraw/zinc/24/19/27/687241927.db2.gz OCAOBWXDUSPROR-UHFFFAOYSA-N -1 3 342.237 2.002 20 10 EECDHM COCC[C@H]1COCCN1Cc1ccc(Br)cc1[O-] ZINC000825955725 1199902189 /nfs/dbraw/zinc/90/21/89/1199902189.db2.gz PTZVIHIILAXKQI-ZDUSSCGKSA-N -1 3 330.222 2.392 20 10 EECDHM CC(C)CN1CC[C@@]2(CCCN2Cc2cc(C(=O)[O-])ccc2O)C1=O ZINC001273740081 1284521648 /nfs/dbraw/zinc/52/16/48/1284521648.db2.gz 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C[C@@H](Sc1nccs1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001590037602 1349120707 /nfs/dbraw/zinc/12/07/07/1349120707.db2.gz OLCSUSYXAXTXCW-MRVPVSSYSA-N -1 3 332.414 2.443 20 10 EECDHM CN1CCN(c2ccc(CNc3ncccc3C(=O)[O-])cc2)CC1 ZINC000900991295 1331488547 /nfs/dbraw/zinc/48/85/47/1331488547.db2.gz SGHPWWHTKMKXCZ-UHFFFAOYSA-N -1 3 326.400 2.144 20 10 EECDHM COC(=O)COc1cccc(NC(=O)NCc2c([O-])cccc2F)c1 ZINC001310200198 1331662461 /nfs/dbraw/zinc/66/24/61/1331662461.db2.gz YPZRXMWRFDXESX-UHFFFAOYSA-N -1 3 348.330 2.405 20 10 EECDHM C[C@H]([NH2+][C@@H](C1CC1)[C@@H]1CCCOC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589951889 1349077108 /nfs/dbraw/zinc/07/71/08/1349077108.db2.gz HPXBEFLDFZTFSS-GHJWDPDVSA-N -1 3 343.431 2.428 20 10 EECDHM Cc1ccc(F)c(NC(=S)NCc2ccc(-c3nnn[n-]3)cn2)c1 ZINC001592172839 1349600880 /nfs/dbraw/zinc/60/08/80/1349600880.db2.gz CHYGOZUPVPLHAD-UHFFFAOYSA-N -1 3 343.391 2.196 20 10 EECDHM Cc1ccc(F)c(NC(=S)NCc2ccc(-c3nn[n-]n3)cn2)c1 ZINC001592172839 1349600886 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CCN(CC)c1ccc(CN[C@H](C(=O)[O-])c2cnn(C)c2C)cc1 ZINC000904048423 694282784 /nfs/dbraw/zinc/28/27/84/694282784.db2.gz QZZSSBASUSXSRZ-KRWDZBQOSA-N -1 3 330.432 2.490 20 10 EECDHM NC(=O)c1cnc(NCc2cc(Cl)c3cccnc3c2[O-])cn1 ZINC001168527795 1192825894 /nfs/dbraw/zinc/82/58/94/1192825894.db2.gz KOUDUCKEACLCAK-UHFFFAOYSA-N -1 3 329.747 2.095 20 10 EECDHM CCCCN1CC2(CN(Cc3ccc(Cl)cc3[O-])C2)OCC1=O ZINC001273159424 1197149988 /nfs/dbraw/zinc/14/99/88/1197149988.db2.gz JNAJERGEOZKZAU-UHFFFAOYSA-N -1 3 338.835 2.259 20 10 EECDHM COc1ccc(N2CCCN(C(=O)c3c([O-])cccc3O)CC2)cc1 ZINC000125710178 1199470496 /nfs/dbraw/zinc/47/04/96/1199470496.db2.gz OMFWEGPPJLKKIV-UHFFFAOYSA-N -1 3 342.395 2.459 20 10 EECDHM CCOc1cccc(CN2CC[C@@](C)([N-]C(=O)C(F)(F)F)C2)c1O ZINC000877775317 1200091968 /nfs/dbraw/zinc/09/19/68/1200091968.db2.gz LCGMMFKBMRKCGY-OAHLLOKOSA-N -1 3 346.349 2.434 20 10 EECDHM O=C(CCc1ccc[nH]1)N1CCC12CN(Cc1cc(F)ccc1[O-])C2 ZINC001275906430 1205581514 /nfs/dbraw/zinc/58/15/14/1205581514.db2.gz 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CC(=O)N1CCC2(CC1)CN(Cc1cc(Cl)ccc1[O-])CCO2 ZINC001203656814 1321933653 /nfs/dbraw/zinc/93/36/53/1321933653.db2.gz YKCQPOXIQCCRNS-UHFFFAOYSA-N -1 3 338.835 2.259 20 10 EECDHM CCn1nnc2c1CCN(Cc1cc(Cl)ccc1[O-])[C@@H]2COC ZINC001203656318 1321933881 /nfs/dbraw/zinc/93/38/81/1321933881.db2.gz MXLOOPCXYUSLQJ-CQSZACIVSA-N -1 3 336.823 2.403 20 10 EECDHM C[C@H](Sc1nccs1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC001590037603 1349120064 /nfs/dbraw/zinc/12/00/64/1349120064.db2.gz OLCSUSYXAXTXCW-QMMMGPOBSA-N -1 3 332.414 2.443 20 10 EECDHM C[C@H](Sc1nccs1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001590037603 1349120071 /nfs/dbraw/zinc/12/00/71/1349120071.db2.gz OLCSUSYXAXTXCW-QMMMGPOBSA-N -1 3 332.414 2.443 20 10 EECDHM C[C@H]([NH2+]CCNC(=O)c1ccccc1F)c1cc(C(=O)[O-])ccc1[O-] ZINC001604342981 1350920461 /nfs/dbraw/zinc/92/04/61/1350920461.db2.gz OJIYTZUTGQLAER-NSHDSACASA-N -1 3 346.358 2.310 20 10 EECDHM Cc1nc(Cl)ccc1S(=O)(=O)NCc1c([O-])cccc1F ZINC001309879416 1331646100 /nfs/dbraw/zinc/64/61/00/1331646100.db2.gz 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ZINC000809700300 783289367 /nfs/dbraw/zinc/28/93/67/783289367.db2.gz CCHMZHCWLMEFLF-SMDDNHRTSA-N -1 3 328.815 2.480 20 10 EECDHM Cc1cc(C)n(-c2ccc(CNC(=O)c3cccc(O)c3[O-])cn2)n1 ZINC000186963770 783328370 /nfs/dbraw/zinc/32/83/70/783328370.db2.gz JEDSRJGUYYOTGF-UHFFFAOYSA-N -1 3 338.367 2.225 20 10 EECDHM CC(C)[C@@H]1C(=O)NCCN1Cc1ccc(Br)cc1[O-] ZINC000824708819 788282669 /nfs/dbraw/zinc/28/26/69/788282669.db2.gz FQJJLLCCLAXQPB-CYBMUJFWSA-N -1 3 327.222 2.111 20 10 EECDHM O=C(c1cccc(O)c1[O-])N1CCNC(=O)[C@@H]1c1ccc(Cl)cc1 ZINC001148218585 792252660 /nfs/dbraw/zinc/25/26/60/792252660.db2.gz GONRKYMCUKPNPW-AWEZNQCLSA-N -1 3 346.770 2.065 20 10 EECDHM CN(Cc1ccc(-n2ccnc2)cc1)C(=O)c1cc(O)c([O-])c(O)c1 ZINC001148588281 792573704 /nfs/dbraw/zinc/57/37/04/792573704.db2.gz QSRJKPNRPAXAIA-UHFFFAOYSA-N -1 3 339.351 2.261 20 10 EECDHM C[C@H](C[S@@](C)=O)N(C)Cc1cc(Br)cc(F)c1[O-] ZINC000715794177 795505216 /nfs/dbraw/zinc/50/52/16/795505216.db2.gz JALLOMMGJBOYOT-NTCNTBNZSA-N -1 3 338.242 2.493 20 10 EECDHM COC(=O)C1(CS(=O)(=O)[N-]c2ccc(O)cc2F)CCCCC1 ZINC000793414790 810307711 /nfs/dbraw/zinc/30/77/11/810307711.db2.gz FKXLTTCYJZYHRA-UHFFFAOYSA-N -1 3 345.392 2.397 20 10 EECDHM CC(C)NC(=O)OC[C@H]1CCCCN1C(=O)c1cccc(O)c1[O-] ZINC000804930256 811091580 /nfs/dbraw/zinc/09/15/80/811091580.db2.gz ZQWHZKKNHBILSP-GFCCVEGCSA-N -1 3 336.388 2.227 20 10 EECDHM O=C([C@H]1CCCCN1Cc1cc(Cl)ccc1[O-])N1CCOCC1 ZINC000093014418 237040515 /nfs/dbraw/zinc/04/05/15/237040515.db2.gz QMQXBLZYFQYYKA-OAHLLOKOSA-N -1 3 338.835 2.259 20 10 EECDHM COC(=O)CN(Cc1cn(C)nc1C)Cc1cc(Cl)ccc1[O-] ZINC000093277010 533501016 /nfs/dbraw/zinc/50/10/16/533501016.db2.gz XOYSWGPXPAFYHX-UHFFFAOYSA-N -1 3 337.807 2.263 20 10 EECDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1cnccn1 ZINC000158065396 463201625 /nfs/dbraw/zinc/20/16/25/463201625.db2.gz SZAPUJFNTNAPTJ-AWEZNQCLSA-N -1 3 346.818 2.230 20 10 EECDHM COc1ccc(N2CCN([C@@H](C)C(=O)[N-]c3cc(C)no3)CC2)cc1 ZINC000054548267 463243345 /nfs/dbraw/zinc/24/33/45/463243345.db2.gz IFFRIKHLUCCIIT-AWEZNQCLSA-N -1 3 344.415 2.141 20 10 EECDHM Cc1cc(N2CC[C@H](N[C@H](C)c3ccc(F)cc3[O-])C2=O)n(C)n1 ZINC000186083226 463933928 /nfs/dbraw/zinc/93/39/28/463933928.db2.gz XGDJZYCAJOVMDV-RISCZKNCSA-N -1 3 332.379 2.029 20 10 EECDHM COc1c([O-])c(CN[C@@H]2c3ccccc3C[C@@H]2O)ccc1[N+](=O)[O-] ZINC000278473262 463966305 /nfs/dbraw/zinc/96/63/05/463966305.db2.gz HPVPYSANAQLIPS-LSDHHAIUSA-N -1 3 330.340 2.057 20 10 EECDHM COCCCN(Cc1ccncc1)C(=O)c1ccc(C)c(O)c1[O-] ZINC000179485443 464143883 /nfs/dbraw/zinc/14/38/83/464143883.db2.gz VKMHFTHGWZYOIQ-UHFFFAOYSA-N -1 3 330.384 2.480 20 10 EECDHM CCn1ccnc1[C@H]1OCCC[C@@H]1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000190124970 464600950 /nfs/dbraw/zinc/60/09/50/464600950.db2.gz ADUGTZOXVKYMFO-BBRMVZONSA-N -1 3 345.399 2.273 20 10 EECDHM COC(=O)[C@@H]1c2ccccc2CCN1C(=O)c1ccc(C)c(O)c1[O-] ZINC000272726004 464686701 /nfs/dbraw/zinc/68/67/01/464686701.db2.gz ITUYBKKROCLTJF-HNNXBMFYSA-N -1 3 341.363 2.319 20 10 EECDHM CCCOc1ccc(CN2CCC[C@@H](S(C)(=O)=O)C2)c([O-])c1 ZINC000274038367 464732011 /nfs/dbraw/zinc/73/20/11/464732011.db2.gz AOJDXDSIEXQECJ-OAHLLOKOSA-N -1 3 327.446 2.190 20 10 EECDHM CC[C@H](N[C@H]1CCN(c2cc(C)nn2C)C1=O)c1ccc(F)cc1[O-] ZINC000286274886 464864611 /nfs/dbraw/zinc/86/46/11/464864611.db2.gz VRDYIVBHKFJUOR-GJZGRUSLSA-N -1 3 346.406 2.419 20 10 EECDHM Cc1ccc(C(=O)N2CCC[C@H](CC(C)(C)C(N)=O)C2)c([O-])c1O ZINC000295765740 464957419 /nfs/dbraw/zinc/95/74/19/464957419.db2.gz CBBPFERFMRQCSL-GFCCVEGCSA-N -1 3 334.416 2.160 20 10 EECDHM Cc1ccc([C@@H](CNC(=O)c2cc([O-])cs2)N2CCOCC2)o1 ZINC000731865203 577128416 /nfs/dbraw/zinc/12/84/16/577128416.db2.gz IPRDINORBDPKTC-CYBMUJFWSA-N -1 3 336.413 2.158 20 10 EECDHM O=C(c1cc([O-])cs1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000731863660 577128642 /nfs/dbraw/zinc/12/86/42/577128642.db2.gz AXPISFSZOGANML-UHFFFAOYSA-N -1 3 333.369 2.324 20 10 EECDHM O=C(COC(=O)c1cc([O-])cs1)N[C@H]1CCOc2ccccc21 ZINC000732352699 577174544 /nfs/dbraw/zinc/17/45/44/577174544.db2.gz CKBFPUVPVAPOLH-LBPRGKRZSA-N -1 3 333.365 2.251 20 10 EECDHM [O-]c1c(F)cc(Cl)cc1CN1CCN(C[C@@H]2CCOC2)CC1 ZINC000775727347 577443940 /nfs/dbraw/zinc/44/39/40/577443940.db2.gz CEQBRVDYDFXXEW-LBPRGKRZSA-N -1 3 328.815 2.339 20 10 EECDHM C[C@H]1C[C@@H](NCc2cccc(Cl)c2[O-])C(=O)N1c1cnn(C)c1 ZINC000776224745 577454977 /nfs/dbraw/zinc/45/49/77/577454977.db2.gz VQGILCAKKMMZAN-IINYFYTJSA-N -1 3 334.807 2.063 20 10 EECDHM O=C(Nc1cccc(OCCn2cncn2)c1)c1cccc(O)c1[O-] ZINC000776628366 577464871 /nfs/dbraw/zinc/46/48/71/577464871.db2.gz QBPLWPLPRWBXEK-UHFFFAOYSA-N -1 3 340.339 2.021 20 10 EECDHM CCCN(Cc1ccc(OCC)cc1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000768182202 577551656 /nfs/dbraw/zinc/55/16/56/577551656.db2.gz WMLDOJLLTDYAMZ-CQSZACIVSA-N -1 3 327.446 2.190 20 10 EECDHM COC(=O)c1ccc2c(c1)CN(Cc1cc3c(cc1[O-])OC[C@@H]3O)C2 ZINC000768451043 577555999 /nfs/dbraw/zinc/55/59/99/577555999.db2.gz LONULKNJCFMCGF-KRWDZBQOSA-N -1 3 341.363 2.120 20 10 EECDHM O=C(c1cc([O-])cs1)N1CCOC[C@@H]1C[C@@H](O)c1cccs1 ZINC000769187164 577571951 /nfs/dbraw/zinc/57/19/51/577571951.db2.gz HBBRMCPBFLUEEX-CMPLNLGQSA-N -1 3 339.438 2.480 20 10 EECDHM CC(=O)c1cc(Cl)cc(CN(C)[C@H](CO)COC(C)C)c1[O-] ZINC000763878454 577727361 /nfs/dbraw/zinc/72/73/61/577727361.db2.gz KPZIXNKIGMHYOJ-CQSZACIVSA-N -1 3 329.824 2.466 20 10 EECDHM O=C(NCC1(CN2CCOCC2)CCCCC1)c1cc([O-])cs1 ZINC000751429089 577752263 /nfs/dbraw/zinc/75/22/63/577752263.db2.gz AFQWHDOXIZNJTE-UHFFFAOYSA-N -1 3 338.473 2.466 20 10 EECDHM O=C1NC2(CO1)CCN(Cc1cc(Br)ccc1[O-])CC2 ZINC000753587279 577790378 /nfs/dbraw/zinc/79/03/78/577790378.db2.gz QVWZZCNFAQPPSS-UHFFFAOYSA-N -1 3 341.205 2.229 20 10 EECDHM Cc1cc(C(=O)NCCCF)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822177098 607162284 /nfs/dbraw/zinc/16/22/84/607162284.db2.gz ULSAJZDDJJTLPY-UHFFFAOYSA-N -1 3 342.378 2.364 20 10 EECDHM C[C@@H]1CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])[C@H]1C ZINC000091743705 676890169 /nfs/dbraw/zinc/89/01/69/676890169.db2.gz WCSUVGOCVOXVEU-MNOVXSKESA-N -1 3 326.418 2.024 20 10 EECDHM O=C1N(Cc2cnoc2)CC[C@@]12CCCN2Cc1c([O-])cccc1F ZINC001273265527 1197887678 /nfs/dbraw/zinc/88/76/78/1197887678.db2.gz HIMYDCVLLOXISS-SFHVURJKSA-N -1 3 345.374 2.286 20 10 EECDHM CS(=O)(=O)C[C@H]1CCN(Cc2ccc(Br)cc2[O-])C1 ZINC000825974723 1199952757 /nfs/dbraw/zinc/95/27/57/1199952757.db2.gz DFJJRNNJKNIKHH-JTQLQIEISA-N -1 3 348.262 2.021 20 10 EECDHM COC(=O)C1(CS(=O)(=O)[N-]c2ccc(O)cc2F)CCCC1 ZINC000811695976 1200249611 /nfs/dbraw/zinc/24/96/11/1200249611.db2.gz OKROWJALCWEUEN-UHFFFAOYSA-N -1 3 331.365 2.006 20 10 EECDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@H]1CCO[C@H]1C ZINC000878243296 1200347280 /nfs/dbraw/zinc/34/72/80/1200347280.db2.gz ZAWJUJUAFAXRPE-NWDGAFQWSA-N -1 3 327.808 2.446 20 10 EECDHM CN(CC(=O)NCCC1=CCCCC1)C(=O)c1cccc(O)c1[O-] ZINC000887047611 1204188523 /nfs/dbraw/zinc/18/85/23/1204188523.db2.gz KOSYGERLYKEQRJ-UHFFFAOYSA-N -1 3 332.400 2.177 20 10 EECDHM O=C(Nc1ccc(N2CCOCC2)c(F)c1)c1cccc(O)c1[O-] ZINC000188390402 1208697820 /nfs/dbraw/zinc/69/78/20/1208697820.db2.gz KNTACJKKVJQUMU-UHFFFAOYSA-N -1 3 332.331 2.326 20 10 EECDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@H](c2nncn2C)C(C)C)c1 ZINC000903064195 1239647977 /nfs/dbraw/zinc/64/79/77/1239647977.db2.gz LWJRXXQMDBQUGG-NHYWBVRUSA-N -1 3 332.404 2.355 20 10 EECDHM COc1ccc(N2CCCN(C(=O)c3ccc(N)cc3[O-])CC2)cc1 ZINC000827459258 1248114908 /nfs/dbraw/zinc/11/49/08/1248114908.db2.gz ZDNCPEPBXLWPKJ-UHFFFAOYSA-N -1 3 341.411 2.336 20 10 EECDHM Cc1c(O)ccc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)c1C ZINC001186931080 1279300374 /nfs/dbraw/zinc/30/03/74/1279300374.db2.gz BJYOOLAGPVATTL-UHFFFAOYSA-N -1 3 332.381 2.304 20 10 EECDHM CC(C)(C)n1nnc(CNCc2c([O-])cccc2Br)n1 ZINC000858186338 1294036805 /nfs/dbraw/zinc/03/68/05/1294036805.db2.gz YQJIDDRRAJPUEF-UHFFFAOYSA-N -1 3 340.225 2.186 20 10 EECDHM O=C([O-])c1ccc(O)c(CN2CCN(Cc3ccccc3)CC2)c1 ZINC001231562008 1303846314 /nfs/dbraw/zinc/84/63/14/1303846314.db2.gz CASPBCDOEDWGHA-UHFFFAOYSA-N -1 3 326.396 2.408 20 10 EECDHM O=C([O-])c1ccc([O-])c(C[N@H+]2CC[C@@H](O)[C@@H]2Cc2ccccc2)c1 ZINC001231562467 1303846491 /nfs/dbraw/zinc/84/64/91/1303846491.db2.gz BVJMQRDMOGKJDJ-FUHWJXTLSA-N -1 3 327.380 2.268 20 10 EECDHM O=C([O-])c1ccc([O-])c(C[N@@H+]2CC[C@@H](O)[C@@H]2Cc2ccccc2)c1 ZINC001231562467 1303846498 /nfs/dbraw/zinc/84/64/98/1303846498.db2.gz BVJMQRDMOGKJDJ-FUHWJXTLSA-N -1 3 327.380 2.268 20 10 EECDHM COc1ccc(CN2CC[C@H](Oc3ncccn3)C2)c([O-])c1Cl ZINC001236817168 1305689456 /nfs/dbraw/zinc/68/94/56/1305689456.db2.gz DNDFQTMAMRNWEX-LBPRGKRZSA-N -1 3 335.791 2.498 20 10 EECDHM Cc1cc([O-])c(CN2CC(N3CC(F)C3)C2)cc1Br ZINC001237678158 1306041940 /nfs/dbraw/zinc/04/19/40/1306041940.db2.gz VIQDYPJFHMUSKT-UHFFFAOYSA-N -1 3 329.213 2.301 20 10 EECDHM CC(C)N(C)C(=O)C1=NO[C@@]2(CCN(Cc3cccc(F)c3[O-])C2)C1 ZINC001138125172 1314549784 /nfs/dbraw/zinc/54/97/84/1314549784.db2.gz KAEIAAGSONFEKC-SFHVURJKSA-N -1 3 349.406 2.119 20 10 EECDHM COc1cc(N2CCN(Cc3ccc(Cl)cc3[O-])CC2)ncn1 ZINC001140464504 1314892658 /nfs/dbraw/zinc/89/26/58/1314892658.db2.gz SGYOZCNFJDFVPK-UHFFFAOYSA-N -1 3 334.807 2.166 20 10 EECDHM CCn1[nH]c(C)nc1=NCc1cc(C)cc(Br)c1[O-] ZINC000840887442 1315428414 /nfs/dbraw/zinc/42/84/14/1315428414.db2.gz JOTRACLOYJVIMB-UHFFFAOYSA-N -1 3 325.210 2.417 20 10 EECDHM O=C1OCCCN1C1CCN(Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142530986 1315652756 /nfs/dbraw/zinc/65/27/56/1315652756.db2.gz NGLBTGOYBQHGPF-UHFFFAOYSA-N -1 3 326.343 2.477 20 10 EECDHM COc1ccc(CNc2nc(C)cc(C)c2-c2nn[n-]n2)c(O)c1 ZINC001609356144 1351944938 /nfs/dbraw/zinc/94/49/38/1351944938.db2.gz SYDAEPASUYVPJG-UHFFFAOYSA-N -1 3 326.360 2.205 20 10 EECDHM CC(=Cc1cccnc1)C(=O)N1CCc2c1cccc2-c1nnn[n-]1 ZINC001588772794 1348934437 /nfs/dbraw/zinc/93/44/37/1348934437.db2.gz RRAPSUJEJZRXGA-ZRDIBKRKSA-N -1 3 332.367 2.254 20 10 EECDHM CC(=Cc1cccnc1)C(=O)N1CCc2c1cccc2-c1nn[n-]n1 ZINC001588772794 1348934439 /nfs/dbraw/zinc/93/44/39/1348934439.db2.gz RRAPSUJEJZRXGA-ZRDIBKRKSA-N -1 3 332.367 2.254 20 10 EECDHM CC(C)C[C@@H](CN(C)C)[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589653250 1349015442 /nfs/dbraw/zinc/01/54/42/1349015442.db2.gz BGWIAYSSIQJUJF-OLZOCXBDSA-N -1 3 332.452 2.199 20 10 EECDHM CC[C@@H]([NH2+]CC(C)(C)CCCO)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590465137 1349339606 /nfs/dbraw/zinc/33/96/06/1349339606.db2.gz SQKWMIZHGJEDCC-CQSZACIVSA-N -1 3 333.436 2.412 20 10 EECDHM CC[C@@H]([NH2+]CCNc1ccccn1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590470981 1349343820 /nfs/dbraw/zinc/34/38/20/1349343820.db2.gz TVVUDHHRDCEEBQ-CQSZACIVSA-N -1 3 339.403 2.120 20 10 EECDHM CC[C@H]([NH2+]CCO[C@@H]1CC1(F)F)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590469579 1349345226 /nfs/dbraw/zinc/34/52/26/1349345226.db2.gz KUSIQQMHLWMNAE-NWDGAFQWSA-N -1 3 339.346 2.037 20 10 EECDHM CCN(Cc1ccc(N(C)C)cc1)c1ncc(-c2nnn[n-]2)cc1F ZINC001604323630 1350915326 /nfs/dbraw/zinc/91/53/26/1350915326.db2.gz OSHJEPWPJFMWTC-UHFFFAOYSA-N -1 3 341.394 2.493 20 10 EECDHM CCN(Cc1ccc(N(C)C)cc1)c1ncc(-c2nn[n-]n2)cc1F ZINC001604323630 1350915328 /nfs/dbraw/zinc/91/53/28/1350915328.db2.gz OSHJEPWPJFMWTC-UHFFFAOYSA-N -1 3 341.394 2.493 20 10 EECDHM COc1cc(Cl)cc(C[NH2+][C@]2(CC(=O)[O-])CCCOC2)c1[O-] ZINC001607166605 1351441591 /nfs/dbraw/zinc/44/15/91/1351441591.db2.gz ASBBHGGVMDLBPL-HNNXBMFYSA-N -1 3 329.780 2.168 20 10 EECDHM O=C(N[C@@H]1CCc2cc(-c3nn[n-]n3)ccc21)C1=CC(=O)CS1 ZINC001592998813 1404730864 /nfs/dbraw/zinc/73/08/64/1404730864.db2.gz CJIVSCINEAXBFX-GFCCVEGCSA-N -1 3 327.369 2.051 20 10 EECDHM [O-]c1cc(F)c(Cl)cc1CN1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000816502554 784072803 /nfs/dbraw/zinc/07/28/03/784072803.db2.gz GRESXXGILQOREU-GJZGRUSLSA-N -1 3 328.815 2.216 20 10 EECDHM CC(=O)N1CCN(Cc2ccc(Br)cc2[O-])[C@@H](C)C1 ZINC000824829180 788331141 /nfs/dbraw/zinc/33/11/41/788331141.db2.gz GXJOHTFCWGXQAS-JTQLQIEISA-N -1 3 327.222 2.207 20 10 EECDHM Cc1cc(C(=O)N2Cc3nc(C)[n-]c(=O)c3C2)c(C)n1-c1ccccn1 ZINC000825035017 788409795 /nfs/dbraw/zinc/40/97/95/788409795.db2.gz SXJYYGLIYXIPQC-UHFFFAOYSA-N -1 3 349.394 2.449 20 10 EECDHM O=C(Nc1ccc(Cn2ccnc2)cc1)c1cc(O)c([O-])c(O)c1 ZINC001148587410 792572455 /nfs/dbraw/zinc/57/24/55/792572455.db2.gz IESRAGLWKFNNFJ-UHFFFAOYSA-N -1 3 325.324 2.301 20 10 EECDHM O=C(NCc1cc(C(F)(F)F)ccn1)c1cc(O)c([O-])c(O)c1 ZINC001148589777 792574523 /nfs/dbraw/zinc/57/45/23/792574523.db2.gz KZKPTBUKWXLMAG-UHFFFAOYSA-N -1 3 328.246 2.147 20 10 EECDHM COC(=O)[C@@H](CC(F)F)NCc1cc(Br)ccc1[O-] ZINC000789579959 808071716 /nfs/dbraw/zinc/07/17/16/808071716.db2.gz IKEDPIRUSQJVKK-SECBINFHSA-N -1 3 338.148 2.441 20 10 EECDHM O=C(Nc1cccc(CN2CCCC2=O)c1)c1cccc(O)c1[O-] ZINC000790527578 808783694 /nfs/dbraw/zinc/78/36/94/808783694.db2.gz GHMFETUICAVPSI-UHFFFAOYSA-N -1 3 326.352 2.473 20 10 EECDHM CCc1nn(C)c(OC)c1CN[C@H](C)c1cc(C(=O)[O-])ccc1O ZINC001597717432 988986016 /nfs/dbraw/zinc/98/60/16/988986016.db2.gz CSLALICAUHKIPF-SNVBAGLBSA-N -1 3 333.388 2.246 20 10 EECDHM O=C(Cc1cc[nH]n1)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000134262021 463020308 /nfs/dbraw/zinc/02/03/08/463020308.db2.gz XSEMBDFFDSMCQN-HNNXBMFYSA-N -1 3 348.834 2.092 20 10 EECDHM O=C(CN(Cc1ccccc1[O-])C[C@H]1CCCO1)NCc1ccco1 ZINC000070976001 463398324 /nfs/dbraw/zinc/39/83/24/463398324.db2.gz VIDHAKHXHKWUTB-QGZVFWFLSA-N -1 3 344.411 2.283 20 10 EECDHM Cc1cc(Br)cc(CN(C)CC(=O)NC(C)C)c1[O-] ZINC000124519109 463432342 /nfs/dbraw/zinc/43/23/42/463432342.db2.gz UQTKTSUUUILNFQ-UHFFFAOYSA-N -1 3 329.238 2.420 20 10 EECDHM C[C@H](N[C@@H]1CCN(c2cnn(C)c2)C1=O)c1cc(Cl)ccc1[O-] ZINC000186054208 463928642 /nfs/dbraw/zinc/92/86/42/463928642.db2.gz GOHXLFLFRGCMHB-IINYFYTJSA-N -1 3 334.807 2.235 20 10 EECDHM COc1c([O-])c(CN(CCO)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000278171175 463956849 /nfs/dbraw/zinc/95/68/49/463956849.db2.gz FWZUZAKCOFSCQZ-UHFFFAOYSA-N -1 3 332.356 2.304 20 10 EECDHM CC(=O)c1cc(Cl)cc(CN(CCOCCO)C(C)C)c1[O-] ZINC000283691478 463974853 /nfs/dbraw/zinc/97/48/53/463974853.db2.gz IVPWEEPXGNBNJH-UHFFFAOYSA-N -1 3 329.824 2.468 20 10 EECDHM Cc1ccc(C(=O)N2CCCN(Cc3cscn3)CC2)c([O-])c1O ZINC000179475692 464142208 /nfs/dbraw/zinc/14/22/08/464142208.db2.gz ZKSLZQKVTAVTFR-UHFFFAOYSA-N -1 3 347.440 2.211 20 10 EECDHM COCCOCc1ccc(CNC(=O)c2ccc(C)c(O)c2[O-])cc1 ZINC000292407257 464222225 /nfs/dbraw/zinc/22/22/25/464222225.db2.gz JZOQQKPUIOUPPY-UHFFFAOYSA-N -1 3 345.395 2.499 20 10 EECDHM COc1nccc(CN(Cc2ccccc2[O-])C[C@@H]2CCCO2)n1 ZINC000294611776 464552989 /nfs/dbraw/zinc/55/29/89/464552989.db2.gz WHORRROISSYTQU-INIZCTEOSA-N -1 3 329.400 2.372 20 10 EECDHM CC[C@@H](N[C@@H]1CCN(c2cc(C)nn2C)C1=O)c1ccc(F)cc1[O-] ZINC000286274890 464864347 /nfs/dbraw/zinc/86/43/47/464864347.db2.gz VRDYIVBHKFJUOR-HUUCEWRRSA-N -1 3 346.406 2.419 20 10 EECDHM COc1cc(CNC(=O)c2ccc(C)c(O)c2[O-])cc(OC)c1OC ZINC000267610781 464937386 /nfs/dbraw/zinc/93/73/86/464937386.db2.gz RIGKANBWZKCOJG-UHFFFAOYSA-N -1 3 347.367 2.362 20 10 EECDHM CN(C(=O)c1cccc(O)c1[O-])C1CC(NC(=O)OC(C)(C)C)C1 ZINC000295813342 464972952 /nfs/dbraw/zinc/97/29/52/464972952.db2.gz XCIHBKLWAADKQL-UHFFFAOYSA-N -1 3 336.388 2.226 20 10 EECDHM NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1cc(Br)ccc1[O-] ZINC000368962735 466708202 /nfs/dbraw/zinc/70/82/02/466708202.db2.gz CURLTWJFVIGODF-IUPBHXKESA-N -1 3 339.233 2.241 20 10 EECDHM [O-]c1ccc(Br)cc1CN1CCOC[C@@H]1c1ncon1 ZINC000374833622 466756863 /nfs/dbraw/zinc/75/68/63/466756863.db2.gz FKQWJZVVWWINJR-LLVKDONJSA-N -1 3 340.177 2.111 20 10 EECDHM O=C(NC1CCN(Cc2cccc(F)c2[O-])CC1)C1CCOCC1 ZINC000374914641 466759801 /nfs/dbraw/zinc/75/98/01/466759801.db2.gz RVACQCCRLJPWOB-UHFFFAOYSA-N -1 3 336.407 2.039 20 10 EECDHM O=S1(=O)CCCN1[C@@H]1CCCN(Cc2cccc(Cl)c2[O-])C1 ZINC000365531185 466850549 /nfs/dbraw/zinc/85/05/49/466850549.db2.gz YLYOLLPXBOHUEJ-CYBMUJFWSA-N -1 3 344.864 2.046 20 10 EECDHM CC(=O)N1CC[C@H](NC(=O)c2cccc(O)c2[O-])c2ccccc21 ZINC000365571838 466866840 /nfs/dbraw/zinc/86/68/40/466866840.db2.gz YXKKBCYYOMOBPR-AWEZNQCLSA-N -1 3 326.352 2.326 20 10 EECDHM Cc1ccc(CC(=O)N2CCN(C(=O)c3cc([O-])cs3)CC2)cc1 ZINC000732282491 577166080 /nfs/dbraw/zinc/16/60/80/577166080.db2.gz OOQYIRLXMAMSCR-UHFFFAOYSA-N -1 3 344.436 2.289 20 10 EECDHM CS(=O)(=O)Nc1ccc(COC(=O)c2cc([O-])cs2)cc1 ZINC000732354176 577174686 /nfs/dbraw/zinc/17/46/86/577174686.db2.gz GABPMSYYXKCJHT-UHFFFAOYSA-N -1 3 327.383 2.182 20 10 EECDHM CCOc1ccc(CN2CCC(S(=O)(=O)CC)CC2)c([O-])c1 ZINC000775206591 577432759 /nfs/dbraw/zinc/43/27/59/577432759.db2.gz YBJJFQLWXVDKDK-UHFFFAOYSA-N -1 3 327.446 2.190 20 10 EECDHM COC(=O)[C@H](CNC(=O)c1ccc(C)c(O)c1[O-])c1ccc(F)cc1 ZINC000765708513 577505763 /nfs/dbraw/zinc/50/57/63/577505763.db2.gz NVHYKUJJQMYOAG-CQSZACIVSA-N -1 3 347.342 2.232 20 10 EECDHM CCOC(=O)[C@H](C)NCc1cc(Br)cc(OC)c1[O-] ZINC000763273392 577718305 /nfs/dbraw/zinc/71/83/05/577718305.db2.gz XUFPCAWNJAUKJP-QMMMGPOBSA-N -1 3 332.194 2.205 20 10 EECDHM COC(=O)[C@@H](CNC(=O)c1cc([O-])cs1)Cc1ccccc1OC ZINC000752637159 577774086 /nfs/dbraw/zinc/77/40/86/577774086.db2.gz XFTRPQCCKDCNMW-GFCCVEGCSA-N -1 3 349.408 2.224 20 10 EECDHM CN(C)Cc1ccccc1[N-]S(=O)(=O)c1cccc2nonc21 ZINC000753923788 577796235 /nfs/dbraw/zinc/79/62/35/577796235.db2.gz MRYJKBZQKTUIKR-UHFFFAOYSA-N -1 3 332.385 2.085 20 10 EECDHM C[C@@H](N[C@H]1CC(=O)N(C)C1)c1cc(Br)c(F)cc1[O-] ZINC000756529327 577845848 /nfs/dbraw/zinc/84/58/48/577845848.db2.gz XUWSUHLJZFBFKP-SFYZADRCSA-N -1 3 331.185 2.175 20 10 EECDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2cccc(OCC(N)=O)c2)c1 ZINC000756800754 577850349 /nfs/dbraw/zinc/85/03/49/577850349.db2.gz FFDYSNNHIZBPJX-NSHDSACASA-N -1 3 344.367 2.216 20 10 EECDHM C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000736137681 578182757 /nfs/dbraw/zinc/18/27/57/578182757.db2.gz XWSXPRACYMZNOC-SNVBAGLBSA-N -1 3 340.343 2.331 20 10 EECDHM C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000736137681 578182758 /nfs/dbraw/zinc/18/27/58/578182758.db2.gz XWSXPRACYMZNOC-SNVBAGLBSA-N -1 3 340.343 2.331 20 10 EECDHM CN(C)c1ccc([C@@H](CNC(=O)C(C)(C)CCC(=O)[O-])N(C)C)cc1 ZINC000899855433 693902068 /nfs/dbraw/zinc/90/20/68/693902068.db2.gz WNMQCZWPDJDYFX-MRXNPFEDSA-N -1 3 349.475 2.363 20 10 EECDHM CC(C)(C)NC(=O)[C@@H]1CC12CCN(C(=O)c1cccc(O)c1[O-])CC2 ZINC001269560594 1184393054 /nfs/dbraw/zinc/39/30/54/1184393054.db2.gz WHJPABJDPCWDOE-ZDUSSCGKSA-N -1 3 346.427 2.255 20 10 EECDHM Cc1cnn(CC(=O)NCc2cc(Cl)c3cccnc3c2[O-])c1 ZINC001142175673 1186791775 /nfs/dbraw/zinc/79/17/75/1186791775.db2.gz PWFYESIJQQVTOH-UHFFFAOYSA-N -1 3 330.775 2.415 20 10 EECDHM COc1cccc(CN2CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C2)c1O ZINC000827850710 1248826894 /nfs/dbraw/zinc/82/68/94/1248826894.db2.gz PXOCEJNDDNRAIB-PWSUYJOCSA-N -1 3 346.349 2.290 20 10 EECDHM COCCOCN1CCC12CN(Cc1cc(Cl)c(C)cc1[O-])C2 ZINC001276372575 1229024708 /nfs/dbraw/zinc/02/47/08/1229024708.db2.gz ZFSBKMQZYPLCKI-UHFFFAOYSA-N -1 3 340.851 2.235 20 10 EECDHM O=C(/C=C\c1ccccc1)NCCCNC(=O)c1cccc(O)c1[O-] ZINC000800684917 1234433691 /nfs/dbraw/zinc/43/36/91/1234433691.db2.gz RZBWBMURJJSWIU-KHPPLWFESA-N -1 3 340.379 2.047 20 10 EECDHM [O-]c1cccnc1CNC(=S)Nc1ccc(-n2cccn2)cc1 ZINC001200899118 1287222185 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335.306 2.315 20 10 EECDHM [O-]c1c(CN2C[C@@H]3[C@H](C2)OCCN3C2CCCC2)ccc(F)c1F ZINC001276856816 1299955470 /nfs/dbraw/zinc/95/54/70/1299955470.db2.gz JYJAGIKAZXVQFX-CVEARBPZSA-N -1 3 338.398 2.498 20 10 EECDHM Cc1ccc(C(=O)Nc2ccc(CCS(C)(=O)=O)cc2)c([O-])c1O ZINC000780986248 1303719799 /nfs/dbraw/zinc/71/97/99/1303719799.db2.gz LABJYEDZFWHRBC-UHFFFAOYSA-N -1 3 349.408 2.246 20 10 EECDHM CC(C)CC(=O)N1CCN(Cc2cc(Cl)c([O-])cc2O)CC1 ZINC001232262582 1304056745 /nfs/dbraw/zinc/05/67/45/1304056745.db2.gz KROVBPMLCIGDHY-UHFFFAOYSA-N -1 3 326.824 2.442 20 10 EECDHM COC[C@@H]1Cn2nccc2CN(Cc2cc(Cl)c([O-])cc2O)C1 ZINC001232261478 1304056829 /nfs/dbraw/zinc/05/68/29/1304056829.db2.gz ILQYRSSEBUFHHH-NSHDSACASA-N -1 3 337.807 2.226 20 10 EECDHM [O-]c1cccnc1CNC(=S)Nc1ccc(N2CCOCC2)cc1 ZINC001247265606 1310560467 /nfs/dbraw/zinc/56/04/67/1310560467.db2.gz GPZJKWNWBFSISJ-UHFFFAOYSA-N -1 3 344.440 2.110 20 10 EECDHM CC(C)(C)c1cc([O-])c(CN2CCO[C@@H](C(N)=O)C2)cc1Cl ZINC001248883278 1310963287 /nfs/dbraw/zinc/96/32/87/1310963287.db2.gz CWWVUJSXVHAIPH-CQSZACIVSA-N -1 3 326.824 2.029 20 10 EECDHM O=S1(=O)CC[C@@H](CF)C12CN(Cc1c([O-])cccc1Cl)C2 ZINC001140342105 1314871665 /nfs/dbraw/zinc/87/16/65/1314871665.db2.gz VEWBYNXQJRLEMK-JTQLQIEISA-N -1 3 333.812 2.004 20 10 EECDHM Cc1cc(Br)cc(C[NH2+][C@@]2(CC(=O)[O-])CCOC2)c1[O-] ZINC001600072114 1349965591 /nfs/dbraw/zinc/96/55/91/1349965591.db2.gz OHJUBTWDRGNTLE-CQSZACIVSA-N -1 3 344.205 2.187 20 10 EECDHM C[C@H]([NH2+]Cc1cccc(N(C)C)c1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603670481 1350739095 /nfs/dbraw/zinc/73/90/95/1350739095.db2.gz HRVHNOKMRDAODI-LBPRGKRZSA-N -1 3 338.415 2.489 20 10 EECDHM C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589951355 1349076305 /nfs/dbraw/zinc/07/63/05/1349076305.db2.gz CIZBJVLCTSMFHT-GGZSPTBLSA-N -1 3 329.404 2.036 20 10 EECDHM CC[C@H]([NH2+][C@H]1COC2(CCC2)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590465736 1349341782 /nfs/dbraw/zinc/34/17/82/1349341782.db2.gz VOEPGQQXZXITQY-RISCZKNCSA-N -1 3 329.404 2.325 20 10 EECDHM CN(C)c1ccc(CNC(=O)c2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC001591031013 1349431913 /nfs/dbraw/zinc/43/19/13/1349431913.db2.gz AECHOQPWDJZFRT-UHFFFAOYSA-N -1 3 340.362 2.002 20 10 EECDHM CN(C)c1ccc(CNC(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC001591031013 1349431917 /nfs/dbraw/zinc/43/19/17/1349431917.db2.gz AECHOQPWDJZFRT-UHFFFAOYSA-N -1 3 340.362 2.002 20 10 EECDHM CC[C@H]([NH2+]C[C@@]1(OC)CCSC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604053738 1350841407 /nfs/dbraw/zinc/84/14/07/1350841407.db2.gz DSPWLOOPCLZQRF-BBRMVZONSA-N -1 3 349.460 2.135 20 10 EECDHM CC[C@H]([NH2+]C[C@@H]1CCC[C@@H](O)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604056574 1350842268 /nfs/dbraw/zinc/84/22/68/1350842268.db2.gz UYXIDJOTHDTHMA-JMSVASOKSA-N -1 3 331.420 2.164 20 10 EECDHM CCN(OC)C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC001604328436 1350916828 /nfs/dbraw/zinc/91/68/28/1350916828.db2.gz WHXHYOXMWZPIFY-UHFFFAOYSA-N -1 3 340.387 2.298 20 10 EECDHM [O-]c1cccc(Br)c1CN1CCO[C@H]2C[C@@H](CO)C[C@H]21 ZINC001140099969 757559214 /nfs/dbraw/zinc/55/92/14/757559214.db2.gz ABUARCPFXQZPFI-ZBINZKHDSA-N -1 3 342.233 2.126 20 10 EECDHM NC(=O)[C@@H]1CCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708132659 786752857 /nfs/dbraw/zinc/75/28/57/786752857.db2.gz FHSZKPFDHJAOCR-SSDOTTSWSA-N -1 3 333.613 2.115 20 10 EECDHM O=C(NCc1ccc(N2CCCC2)cc1)c1nnc2ccccc2c1[O-] ZINC000171763803 791468283 /nfs/dbraw/zinc/46/82/83/791468283.db2.gz AYJIYLFVDBVXAD-UHFFFAOYSA-N -1 3 348.406 2.453 20 10 EECDHM O=C(Nc1ccnc(OC(F)(F)F)c1)c1cc(O)c([O-])c(O)c1 ZINC001148582270 792567415 /nfs/dbraw/zinc/56/74/15/792567415.db2.gz HYGCKBLTTLJBHQ-UHFFFAOYSA-N -1 3 330.218 2.349 20 10 EECDHM CCO[C@@H]1C[C@H](NC(=O)c2cccc(O)c2[O-])[C@@H]1Oc1ccccc1 ZINC000790941165 809012985 /nfs/dbraw/zinc/01/29/85/809012985.db2.gz SADREHPRILBARD-LESCRADOSA-N -1 3 343.379 2.453 20 10 EECDHM C[C@H]([NH2+][C@H]1CCO[C@@H](c2ccnn2C)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593234422 994402681 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O=C(c1cccc(O)c1[O-])N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000279296207 464086211 /nfs/dbraw/zinc/08/62/11/464086211.db2.gz MWTAZYPCBXDHMF-AWEZNQCLSA-N -1 3 335.400 2.288 20 10 EECDHM CC(C)[C@H](CNC(=O)c1cccc(O)c1[O-])NC(=O)OC(C)(C)C ZINC000279365886 464091604 /nfs/dbraw/zinc/09/16/04/464091604.db2.gz SZRIXGNVMWFOMC-LBPRGKRZSA-N -1 3 338.404 2.377 20 10 EECDHM O=C(c1cccc(O)c1)N1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000180057053 464232939 /nfs/dbraw/zinc/23/29/39/464232939.db2.gz FPHLAXUQLPVIJA-UHFFFAOYSA-N -1 3 330.359 2.195 20 10 EECDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)[C@@H](C)SC ZINC000272318274 464562389 /nfs/dbraw/zinc/56/23/89/464562389.db2.gz ZWTSHQVQFWEJCI-SECBINFHSA-N -1 3 331.821 2.299 20 10 EECDHM Cc1ccc(C(=O)NC2CCN(C(=O)NC(C)(C)C)CC2)c([O-])c1O ZINC000272913049 464694593 /nfs/dbraw/zinc/69/45/93/464694593.db2.gz DHKGHYFTNTXQJK-UHFFFAOYSA-N -1 3 349.431 2.109 20 10 EECDHM CC(=O)c1cc(F)cc(CN2CCN(Cc3cc(C)on3)CC2)c1[O-] ZINC000267057376 464915261 /nfs/dbraw/zinc/91/52/61/464915261.db2.gz 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Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(N2CCOC2=O)cc1 ZINC000743259653 577882282 /nfs/dbraw/zinc/88/22/82/577882282.db2.gz IOAKTLJCJJHWRR-UHFFFAOYSA-N -1 3 348.380 2.458 20 10 EECDHM CNC(=O)Cn1ccc2ccc(NC(=O)c3cc([O-])cs3)cc21 ZINC000743692570 577889001 /nfs/dbraw/zinc/88/90/01/577889001.db2.gz KGCKLJVCFVZPOS-UHFFFAOYSA-N -1 3 329.381 2.407 20 10 EECDHM COc1ccc2c(c1)CCN2Cc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000821849607 607443241 /nfs/dbraw/zinc/44/32/41/607443241.db2.gz MYSXDJPJZGFOSJ-UHFFFAOYSA-N -1 3 337.383 2.447 20 10 EECDHM COc1ccc2c(c1)CCN2Cc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000821849607 607443242 /nfs/dbraw/zinc/44/32/42/607443242.db2.gz MYSXDJPJZGFOSJ-UHFFFAOYSA-N -1 3 337.383 2.447 20 10 EECDHM COc1cccc(CNc2c(-c3nnn[n-]3)cnc3ccccc32)c1O ZINC000826216186 608377637 /nfs/dbraw/zinc/37/76/37/608377637.db2.gz NSNGGFRSQBVTDE-UHFFFAOYSA-N -1 3 348.366 2.163 20 10 EECDHM COc1cccc(CNc2c(-c3nn[n-]n3)cnc3ccccc32)c1O ZINC000826216186 608377639 /nfs/dbraw/zinc/37/76/39/608377639.db2.gz 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C[C@@H](NC(=O)c1sccc1-c1nn[n-]n1)c1ccc(N(C)C)cc1 ZINC001609122895 1351852406 /nfs/dbraw/zinc/85/24/06/1351852406.db2.gz SEUKFWRLTWKHDF-SNVBAGLBSA-N -1 3 342.428 2.485 20 10 EECDHM CCOc1ccc(O)c(CN[C@H](C(=O)[O-])c2ccc(OC)c(O)c2)c1 ZINC001610043555 1352148750 /nfs/dbraw/zinc/14/87/50/1352148750.db2.gz URQWVTVDXMSEOW-KRWDZBQOSA-N -1 3 347.367 2.421 20 10 EECDHM CC(C)C[C@@H](CN(C)C)[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589653251 1349015984 /nfs/dbraw/zinc/01/59/84/1349015984.db2.gz BGWIAYSSIQJUJF-STQMWFEESA-N -1 3 332.452 2.199 20 10 EECDHM C[C@H]([NH2+]C[C@H](CO)C1CCCCC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589959961 1349080138 /nfs/dbraw/zinc/08/01/38/1349080138.db2.gz YEKPEUQAEQFJAS-GXTWGEPZSA-N -1 3 345.447 2.412 20 10 EECDHM CC[C@H]([NH2+]CC1([C@H](O)C(C)C)CC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590465722 1349341660 /nfs/dbraw/zinc/34/16/60/1349341660.db2.gz VNQVCAVYIVHLGY-GOEBONIOSA-N -1 3 345.447 2.410 20 10 EECDHM CC(C)CC(=O)NCCC1=CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001089800026 775821949 /nfs/dbraw/zinc/82/19/49/775821949.db2.gz RZTNSMUZAYVYLK-UHFFFAOYSA-N -1 3 348.403 2.384 20 10 EECDHM NC(=O)C[C@@H]1CCCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000894077093 780505008 /nfs/dbraw/zinc/50/50/08/780505008.db2.gz WFVNXWPSQBOMAO-VIFPVBQESA-N -1 3 345.212 2.381 20 10 EECDHM Cc1ccc(C)n1-c1ccsc1C(=O)[N-]N1C(=O)[C@H](C)N(C)C1=O ZINC000912821526 788385989 /nfs/dbraw/zinc/38/59/89/788385989.db2.gz DHNRAMCOJYPPSD-NSHDSACASA-N -1 3 346.412 2.083 20 10 EECDHM O=C(NCCc1nnc(-c2ccccc2)o1)c1cccc(O)c1[O-] ZINC000187172864 789619835 /nfs/dbraw/zinc/61/98/35/789619835.db2.gz GOHPNRFTJIACHT-UHFFFAOYSA-N -1 3 325.324 2.120 20 10 EECDHM O=S1(=O)CCN(Cc2c3c(ccc2[O-])oc2c3CCCC2)CC1 ZINC000103265329 803797915 /nfs/dbraw/zinc/79/79/15/803797915.db2.gz XYBJHJBOSJLQIA-UHFFFAOYSA-N -1 3 335.425 2.248 20 10 EECDHM O=C(NC[C@H](O)c1c(F)cccc1Cl)c1cccc(O)c1[O-] ZINC000790773940 808912021 /nfs/dbraw/zinc/91/20/21/808912021.db2.gz RDESVZIKPKMUGC-LBPRGKRZSA-N -1 3 325.723 2.354 20 10 EECDHM COc1nsc(CN[C@H](C)c2cc(OC)ccc2O)c1C(=O)[O-] ZINC001599598754 993784940 /nfs/dbraw/zinc/78/49/40/993784940.db2.gz SINZDVNTDUEFGT-MRVPVSSYSA-N -1 3 338.385 2.415 20 10 EECDHM C[C@@H]1C[C@H](C)CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000119345833 462891814 /nfs/dbraw/zinc/89/18/14/462891814.db2.gz LVOKOPIZXALFBJ-VXGBXAGGSA-N -1 3 340.445 2.272 20 10 EECDHM C[C@H]1CCC[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000055217939 463297237 /nfs/dbraw/zinc/29/72/37/463297237.db2.gz FBUHZDYMIPOYIH-QWRGUYRKSA-N -1 3 326.418 2.072 20 10 EECDHM Cc1ccc(C)n1-c1ccc(C(=O)N2CCc3nc[n-]c(=O)c3C2)cc1 ZINC000179090572 464055156 /nfs/dbraw/zinc/05/51/56/464055156.db2.gz DLZRODNQCTWKMM-UHFFFAOYSA-N -1 3 348.406 2.376 20 10 EECDHM CCOc1ccccc1N1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000186768305 464063883 /nfs/dbraw/zinc/06/38/83/464063883.db2.gz PSUXMJPVSVJTGL-UHFFFAOYSA-N -1 3 342.395 2.459 20 10 EECDHM O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cccc(O)c1[O-] ZINC000186971210 464086851 /nfs/dbraw/zinc/08/68/51/464086851.db2.gz AUYHBIRHERUQCA-UHFFFAOYSA-N -1 3 346.358 2.004 20 10 EECDHM Cc1ccc(C(=O)NC2CCN(Cc3ccccn3)CC2)c([O-])c1O ZINC000179435962 464136215 /nfs/dbraw/zinc/13/62/15/464136215.db2.gz PVVLZIZDOUKFLK-UHFFFAOYSA-N -1 3 341.411 2.196 20 10 EECDHM Cc1cccc(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)c1O ZINC000179754208 464181825 /nfs/dbraw/zinc/18/18/25/464181825.db2.gz GFBWZQCCFBENJE-UHFFFAOYSA-N -1 3 326.396 2.364 20 10 EECDHM CC[C@@H]1CC[C@@H](C)N1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000271865140 464396236 /nfs/dbraw/zinc/39/62/36/464396236.db2.gz YMDRLENVXJUKEP-ZYHUDNBSSA-N -1 3 326.418 2.167 20 10 EECDHM Cc1csc([C@H]2COCCN2Cc2cc3c(cc2[O-])OCO3)n1 ZINC000190408687 464637861 /nfs/dbraw/zinc/63/78/61/464637861.db2.gz AEWYZEBRMOPKBL-GFCCVEGCSA-N -1 3 334.397 2.459 20 10 EECDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2cccc(N(C)C)n2)c1 ZINC000273464408 464717453 /nfs/dbraw/zinc/71/74/53/464717453.db2.gz IPJIVUTXBXQYDD-GFCCVEGCSA-N -1 3 329.400 2.491 20 10 EECDHM Cc1ccc(C(=O)N2CCN(C(=O)c3cc([O-])cs3)CC2)cc1 ZINC000732269708 577162383 /nfs/dbraw/zinc/16/23/83/577162383.db2.gz HWNJPSGJTDRLLT-UHFFFAOYSA-N -1 3 330.409 2.360 20 10 EECDHM COCc1ccccc1CNC(=O)COC(=O)c1cc([O-])cs1 ZINC000732355402 577174956 /nfs/dbraw/zinc/17/49/56/577174956.db2.gz MHYVBYVFIXFDNB-UHFFFAOYSA-N -1 3 335.381 2.073 20 10 EECDHM COc1cccc([O-])c1CN1CCS(=O)(=O)c2ccccc2C1 ZINC000776014431 577450521 /nfs/dbraw/zinc/45/05/21/577450521.db2.gz PZFQDCWHWRTIPL-UHFFFAOYSA-N -1 3 333.409 2.190 20 10 EECDHM Cc1ccc(NC(=O)c2cccc(O)c2[O-])cc1NS(C)(=O)=O ZINC000776341949 577457917 /nfs/dbraw/zinc/45/79/17/577457917.db2.gz TZMSLWGUVFAPEA-UHFFFAOYSA-N -1 3 336.369 2.030 20 10 EECDHM CCn1cc(S(=O)(=O)[N-]Cc2ccc(N(C)C)cc2C)nc1C ZINC000767262730 577533384 /nfs/dbraw/zinc/53/33/84/577533384.db2.gz WQMOVZIDAYQXKW-UHFFFAOYSA-N -1 3 336.461 2.064 20 10 EECDHM CCOC(=O)[C@]1(CCOC(=O)c2cc([O-])cs2)CCCC1=O ZINC000767345060 577535173 /nfs/dbraw/zinc/53/51/73/577535173.db2.gz JHCSQNYOXLKCOL-HNNXBMFYSA-N -1 3 326.370 2.303 20 10 EECDHM CCOc1ccc(CN2CCS(=O)(=O)[C@H]3CCCC[C@H]32)c([O-])c1 ZINC000769411080 577577349 /nfs/dbraw/zinc/57/73/49/577577349.db2.gz GRKGMGDYTTYSPY-WBVHZDCISA-N -1 3 339.457 2.333 20 10 EECDHM Cc1ccc(C(=O)Nc2ccc(NC(=O)C3CC3)nc2)c([O-])c1O ZINC000770488713 577597369 /nfs/dbraw/zinc/59/73/69/577597369.db2.gz PTXHAWHVJKGNDV-UHFFFAOYSA-N -1 3 327.340 2.402 20 10 EECDHM CN1CCCc2cc(CNC(=O)c3cc(F)cc4nn[n-]c43)ccc21 ZINC000764464794 577736800 /nfs/dbraw/zinc/73/68/00/577736800.db2.gz RPFHHMJFJZRSRO-UHFFFAOYSA-N -1 3 339.374 2.409 20 10 EECDHM CN1CCCc2cc(CNC(=O)c3cc(F)cc4[n-]nnc43)ccc21 ZINC000764464794 577736801 /nfs/dbraw/zinc/73/68/01/577736801.db2.gz RPFHHMJFJZRSRO-UHFFFAOYSA-N -1 3 339.374 2.409 20 10 EECDHM CN1CCCc2cc(CNC(=O)c3cc(F)cc4n[n-]nc43)ccc21 ZINC000764464794 577736802 /nfs/dbraw/zinc/73/68/02/577736802.db2.gz RPFHHMJFJZRSRO-UHFFFAOYSA-N -1 3 339.374 2.409 20 10 EECDHM Cc1cc(C(=O)N[C@@H]2C[C@H]2C)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000737233391 578244779 /nfs/dbraw/zinc/24/47/79/578244779.db2.gz CCYKDDYPRJWGRY-QLJPJBMISA-N -1 3 336.399 2.412 20 10 EECDHM Cc1cc(C(=O)N[C@@H]2C[C@H]2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737233391 578244780 /nfs/dbraw/zinc/24/47/80/578244780.db2.gz CCYKDDYPRJWGRY-QLJPJBMISA-N -1 3 336.399 2.412 20 10 EECDHM COc1cc(Br)cc(C[NH2+][C@@H](C(=O)[O-])C(C)C)c1[O-] ZINC000820755092 598193898 /nfs/dbraw/zinc/19/38/98/598193898.db2.gz XEWMVVCTOCTHCU-LLVKDONJSA-N -1 3 332.194 2.362 20 10 EECDHM COc1ccc(O)c([C@@H](C)NCC(=O)Nc2ccc(C(=O)[O-])cc2)c1 ZINC000833733949 605127790 /nfs/dbraw/zinc/12/77/90/605127790.db2.gz WOFOPMYTRNHHGJ-LLVKDONJSA-N -1 3 344.367 2.388 20 10 EECDHM O=C1C(=Cc2cc(-c3nnn[n-]3)cs2)SC(=S)N1C1CC1 ZINC000823503266 606336999 /nfs/dbraw/zinc/33/69/99/606336999.db2.gz CLYJQFNYFDNATH-WTKPLQERSA-N -1 3 335.439 2.292 20 10 EECDHM O=C1C(=Cc2cc(-c3nn[n-]n3)cs2)SC(=S)N1C1CC1 ZINC000823503266 606337001 /nfs/dbraw/zinc/33/70/01/606337001.db2.gz CLYJQFNYFDNATH-WTKPLQERSA-N -1 3 335.439 2.292 20 10 EECDHM O=C(N[C@@H]1CCCN(Cc2cc(F)c(F)cc2[O-])C1)c1cccnc1 ZINC001142530317 1188234984 /nfs/dbraw/zinc/23/49/84/1188234984.db2.gz CSPOLIIPPOAXSQ-CQSZACIVSA-N -1 3 347.365 2.460 20 10 EECDHM CC[C@@H](C)N1C(=O)COCC12CN(Cc1ccc(Cl)cc1[O-])C2 ZINC001273157582 1197126547 /nfs/dbraw/zinc/12/65/47/1197126547.db2.gz QCCUAFGMHGKETM-GFCCVEGCSA-N -1 3 338.835 2.257 20 10 EECDHM CC[C@H](C)N1C[C@@]2(CCN(Cc3c([O-])cccc3F)C2)OCC1=O ZINC001273265520 1197887141 /nfs/dbraw/zinc/88/71/41/1197887141.db2.gz HDJQQKYKMKMTLS-UGSOOPFHSA-N -1 3 336.407 2.133 20 10 EECDHM CC[C@@H](C)N1C[C@]2(CCN(Cc3c([O-])cccc3F)C2)OCC1=O ZINC001273265516 1197887754 /nfs/dbraw/zinc/88/77/54/1197887754.db2.gz HDJQQKYKMKMTLS-FZKQIMNGSA-N -1 3 336.407 2.133 20 10 EECDHM COc1cc(CN2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)c(O)cc1C ZINC000872753177 1198369609 /nfs/dbraw/zinc/36/96/09/1198369609.db2.gz JNMJTBPLKSELMP-HNNXBMFYSA-N -1 3 346.349 2.352 20 10 EECDHM COC(=O)Cc1cccc(S(=O)(=O)[N-]c2ccc(O)cc2C)c1 ZINC000811684397 1200227953 /nfs/dbraw/zinc/22/79/53/1200227953.db2.gz HXLIUAOPRBXBHB-UHFFFAOYSA-N -1 3 335.381 2.217 20 10 EECDHM COC(=O)c1ccc(CS(=O)(=O)Nc2ccc([O-])c(F)c2)cc1 ZINC001201215277 1289386749 /nfs/dbraw/zinc/38/67/49/1289386749.db2.gz YBTGHZXZGMCYRE-UHFFFAOYSA-N -1 3 339.344 2.260 20 10 EECDHM COc1ccc(CN2CCC[C@@]3(CN(C)CCO3)C2)c([O-])c1Cl ZINC001276806886 1298100507 /nfs/dbraw/zinc/10/05/07/1298100507.db2.gz UPMVTKGTHLLZRE-QGZVFWFLSA-N -1 3 340.851 2.351 20 10 EECDHM COC(=O)[C@@H](C)Oc1cc(C)cc2c1C(=O)c1c([O-])cccc1C2=O ZINC001229542848 1302843348 /nfs/dbraw/zinc/84/33/48/1302843348.db2.gz QUJQYBFCDVZZRR-SNVBAGLBSA-N -1 3 340.331 2.416 20 10 EECDHM CCN(CC)C(=O)NC1CC[NH+](Cc2ccc(C(=O)[O-])cc2[O-])CC1 ZINC001231453708 1303803610 /nfs/dbraw/zinc/80/36/10/1303803610.db2.gz PBILUUVIXQXQIS-UHFFFAOYSA-N -1 3 349.431 2.106 20 10 EECDHM COc1cccc(N2CCN(Cc3cc(C(=O)[O-])ccc3O)CC2)c1 ZINC001231559859 1303845176 /nfs/dbraw/zinc/84/51/76/1303845176.db2.gz JQEVDRWLQQQFCL-UHFFFAOYSA-N -1 3 342.395 2.421 20 10 EECDHM NC(=O)[C@@]12C[C@@H]1CN(Cc1cc(Cl)cc(Br)c1[O-])C2 ZINC001277737995 1304299997 /nfs/dbraw/zinc/29/99/97/1304299997.db2.gz LGVVYPUILSLPRS-AMIZOPFISA-N -1 3 345.624 2.115 20 10 EECDHM O=C(N[C@@H]1CCCN(Cc2c([O-])ccc(F)c2F)C1)N1CCCC1 ZINC001233336304 1304434714 /nfs/dbraw/zinc/43/47/14/1304434714.db2.gz HGZFJWOFHCNEOC-GFCCVEGCSA-N -1 3 339.386 2.440 20 10 EECDHM COc1cc([O-])c(CN2CCn3nccc3C2)c(Br)c1 ZINC001237068296 1305787014 /nfs/dbraw/zinc/78/70/14/1305787014.db2.gz OKHAFOICQGSVIC-UHFFFAOYSA-N -1 3 338.205 2.376 20 10 EECDHM O=C(c1cc2c([nH]1)CN(Cc1cc(F)ccc1[O-])CC2)N1CC=CC1 ZINC001278256579 1308922689 /nfs/dbraw/zinc/92/26/89/1308922689.db2.gz IEJKSCDVYSZVGG-UHFFFAOYSA-N -1 3 341.386 2.430 20 10 EECDHM Cc1cc(CN2C[C@@H]3COC[C@H](C2)C3=O)c([O-])cc1Br ZINC001250136263 1317217635 /nfs/dbraw/zinc/21/76/35/1317217635.db2.gz PFVXGFVWLYMMIF-TXEJJXNPSA-N -1 3 340.217 2.110 20 10 EECDHM O=C1NCC2(CCN(Cc3cc(Cl)cc(Cl)c3[O-])CC2)N1 ZINC001203587052 1321916823 /nfs/dbraw/zinc/91/68/23/1321916823.db2.gz ZBMXZEFJIPCCSO-UHFFFAOYSA-N -1 3 330.215 2.346 20 10 EECDHM C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589954670 1349077899 /nfs/dbraw/zinc/07/78/99/1349077899.db2.gz IKJSRLSNYOYMMT-FATJJJSSSA-N -1 3 329.404 2.181 20 10 EECDHM C[C@@H]([NH2+]C[C@@H](c1ccco1)N(C)C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589978989 1349090356 /nfs/dbraw/zinc/09/03/56/1349090356.db2.gz UFGIITNUUBUEJF-RISCZKNCSA-N -1 3 342.403 2.119 20 10 EECDHM CC[C@H]([NH2+]C[C@@H]1C[C@H](C)O[C@H]1C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590466654 1349341226 /nfs/dbraw/zinc/34/12/26/1349341226.db2.gz LJLDSPZHMKRVJD-ASHKBJFXSA-N -1 3 331.420 2.427 20 10 EECDHM CC[C@H]([NH2+]Cc1ccnc(F)c1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590467721 1349343638 /nfs/dbraw/zinc/34/36/38/1349343638.db2.gz CIVIHHZHLGWPFL-ZDUSSCGKSA-N -1 3 328.351 2.347 20 10 EECDHM Cc1nsc(N[C@H](C)Cc2ccc(O)c(O)c2)c1-c1nnn[n-]1 ZINC001592482685 1349636624 /nfs/dbraw/zinc/63/66/24/1349636624.db2.gz JAJBCKJLYIIDOK-SSDOTTSWSA-N -1 3 332.389 2.086 20 10 EECDHM OC1CCN(c2ccc(C=Cc3ccncc3-c3nnn[n-]3)cc2)CC1 ZINC001593519931 1349829958 /nfs/dbraw/zinc/82/99/58/1349829958.db2.gz RBCCLCNPXBJCKV-RJRFIUFISA-N -1 3 348.410 2.393 20 10 EECDHM OC1CCN(c2ccc(C=Cc3ccncc3-c3nn[n-]n3)cc2)CC1 ZINC001593519931 1349829963 /nfs/dbraw/zinc/82/99/63/1349829963.db2.gz RBCCLCNPXBJCKV-RJRFIUFISA-N -1 3 348.410 2.393 20 10 EECDHM CC(C)[C@@H]1C[C@H]([NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2[O-])CCO1 ZINC001603658202 1350736137 /nfs/dbraw/zinc/73/61/37/1350736137.db2.gz QIYYJNNUXVXTBR-ZOWXZIJZSA-N -1 3 331.420 2.427 20 10 EECDHM CC(C)[C@H]([NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-])C(=O)N1CCCC1 ZINC001604357948 1350922510 /nfs/dbraw/zinc/92/25/10/1350922510.db2.gz TUBSNWKZRRNKHN-LRDDRELGSA-N -1 3 334.416 2.388 20 10 EECDHM C[C@@H]([NH2+]C[C@H](O)COc1ccc(C(=O)[O-])cc1)c1ccccc1[O-] ZINC001607422531 1351492261 /nfs/dbraw/zinc/49/22/61/1351492261.db2.gz ZWVZKJOOJVUPRY-OCCSQVGLSA-N -1 3 331.368 2.181 20 10 EECDHM [O-]c1cccc(F)c1CN1CCCn2cnc(Cn3cccn3)c2C1 ZINC001137835804 1372281604 /nfs/dbraw/zinc/28/16/04/1372281604.db2.gz OHGXQFIGYTYBAT-UHFFFAOYSA-N -1 3 341.390 2.379 20 10 EECDHM O=C(C=Cc1ccc(O)c(O)c1)Nc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001592791106 1404721651 /nfs/dbraw/zinc/72/16/51/1404721651.db2.gz CAWWQFNKKITKFT-DUXPYHPUSA-N -1 3 341.302 2.069 20 10 EECDHM O=C(C=Cc1ccc(O)c(O)c1)Nc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001592791106 1404721655 /nfs/dbraw/zinc/72/16/55/1404721655.db2.gz CAWWQFNKKITKFT-DUXPYHPUSA-N -1 3 341.302 2.069 20 10 EECDHM CN(C)c1ccc([C@H](CNC(=O)C2(C(=O)[O-])CCCC2)N(C)C)cc1 ZINC000908352805 785343866 /nfs/dbraw/zinc/34/38/66/785343866.db2.gz VWWNINIFGITFJA-INIZCTEOSA-N -1 3 347.459 2.117 20 10 EECDHM CC(=O)N1CCCN(Cc2c([O-])cccc2Br)CC1 ZINC000707129570 786137184 /nfs/dbraw/zinc/13/71/84/786137184.db2.gz LIBMMQHNIOHDFL-UHFFFAOYSA-N -1 3 327.222 2.209 20 10 EECDHM NC(=O)c1cc(Cl)nc(Cl)c1NC(=O)c1cccc(O)c1[O-] ZINC001148212011 792244783 /nfs/dbraw/zinc/24/47/83/792244783.db2.gz HWYHUDCMSHFUFV-UHFFFAOYSA-N -1 3 342.138 2.151 20 10 EECDHM CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)c3cccc(O)c3[O-])C[C@H]21 ZINC001148212315 792244996 /nfs/dbraw/zinc/24/49/96/792244996.db2.gz XAKLPPODOVJUCS-WCQYABFASA-N -1 3 348.399 2.179 20 10 EECDHM O=C(N[C@@H](c1ccccc1)C1(O)CCC1)c1cc(O)c([O-])c(O)c1 ZINC001148590806 792575798 /nfs/dbraw/zinc/57/57/98/792575798.db2.gz QMTBEQXZMNHCGI-INIZCTEOSA-N -1 3 329.352 2.190 20 10 EECDHM CC(=O)c1cc(F)cc(CN2CCN(Cc3cccnc3)CC2)c1[O-] ZINC000091076458 792878078 /nfs/dbraw/zinc/87/80/78/792878078.db2.gz LIAFXOKYQCUXNR-UHFFFAOYSA-N -1 3 343.402 2.447 20 10 EECDHM CN(c1c(F)ccc([O-])c1F)S(=O)(=O)CCc1ccc(N)cc1 ZINC001175267846 798063381 /nfs/dbraw/zinc/06/33/81/798063381.db2.gz AJCOCELAWXLUPE-UHFFFAOYSA-N -1 3 342.367 2.261 20 10 EECDHM COC(=O)[C@H](CNC(=O)c1cccc(O)c1[O-])c1ccc(C)cc1 ZINC000790665810 808853343 /nfs/dbraw/zinc/85/33/43/808853343.db2.gz JSYWBEWTTWWYOW-CQSZACIVSA-N -1 3 329.352 2.093 20 10 EECDHM COC(=O)c1cc(Cl)cc(NC(=O)c2cccc(O)c2[O-])c1O ZINC000804902200 811079017 /nfs/dbraw/zinc/07/90/17/811079017.db2.gz XIKSXFLGCNWICE-UHFFFAOYSA-N -1 3 337.715 2.496 20 10 EECDHM CCOc1ccc(C[N@@H+]2CCC[C@](O)(C3(C(=O)[O-])CCC3)C2)c([O-])c1 ZINC001597102380 986730523 /nfs/dbraw/zinc/73/05/23/986730523.db2.gz YSIFPDZDBHCXMR-LJQANCHMSA-N -1 3 349.427 2.373 20 10 EECDHM CCOc1ccc(C[N@H+]2CCC[C@](O)(C3(C(=O)[O-])CCC3)C2)c([O-])c1 ZINC001597102380 986730530 /nfs/dbraw/zinc/73/05/30/986730530.db2.gz YSIFPDZDBHCXMR-LJQANCHMSA-N -1 3 349.427 2.373 20 10 EECDHM CN(C)C(=O)c1ccc(NC(=O)CN(C)Cc2ccccc2[O-])cc1 ZINC000109771687 237132467 /nfs/dbraw/zinc/13/24/67/237132467.db2.gz DQXLTIBKXZPWGP-UHFFFAOYSA-N -1 3 341.411 2.165 20 10 EECDHM COCc1cccc(CNC(=O)CN(C)Cc2ccccc2[O-])c1 ZINC000111235605 237138690 /nfs/dbraw/zinc/13/86/90/237138690.db2.gz HUALJKBZSDZSHS-UHFFFAOYSA-N -1 3 328.412 2.287 20 10 EECDHM C[C@@H](C(=O)NC(=O)NCc1ccccc1)N(C)Cc1ccccc1[O-] ZINC000109770753 533229962 /nfs/dbraw/zinc/22/99/62/533229962.db2.gz SGFHYBMJRPDSFS-AWEZNQCLSA-N -1 3 341.411 2.239 20 10 EECDHM Cn1nccc1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000134266138 463020340 /nfs/dbraw/zinc/02/03/40/463020340.db2.gz GPRRNIJNEUBYPX-CQSZACIVSA-N -1 3 348.834 2.174 20 10 EECDHM Cc1ccc(C(=O)N2CCN(c3ccc(Cl)cn3)CC2)c([O-])c1O ZINC000177676693 463763734 /nfs/dbraw/zinc/76/37/34/463763734.db2.gz JUFNIDKGYUDOSB-UHFFFAOYSA-N -1 3 347.802 2.417 20 10 EECDHM Cc1cnc(N2CCN(C(=O)c3ccc(C)c(O)c3[O-])CC2)s1 ZINC000271302032 464292712 /nfs/dbraw/zinc/29/27/12/464292712.db2.gz SPTBKIMXZDTDHF-UHFFFAOYSA-N -1 3 333.413 2.134 20 10 EECDHM Cc1ccc(C(=O)N2CCN(C(=O)c3cccs3)CC2)c([O-])c1O ZINC000181780608 464528283 /nfs/dbraw/zinc/52/82/83/464528283.db2.gz WSVPYGSKTVWUMK-UHFFFAOYSA-N -1 3 346.408 2.066 20 10 EECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC3(C2)CCCCC3)c1 ZINC000272740554 464686825 /nfs/dbraw/zinc/68/68/25/464686825.db2.gz MCEGLJDQEFAMJW-UHFFFAOYSA-N -1 3 338.429 2.170 20 10 EECDHM O=C(C[C@H]1COCCN1C(=O)c1cccc(O)c1[O-])c1cccs1 ZINC000275101312 464763297 /nfs/dbraw/zinc/76/32/97/464763297.db2.gz IUJFPNCKQZAJAB-NSHDSACASA-N -1 3 347.392 2.273 20 10 EECDHM O=C(NCCN1CCc2ccccc2C1)c1c(F)ccc(O)c1[O-] ZINC000276494278 464954484 /nfs/dbraw/zinc/95/44/84/464954484.db2.gz GXQYITFIBDNSAA-UHFFFAOYSA-N -1 3 330.359 2.025 20 10 EECDHM Cc1c2ccccc2n(C)c1CNC(=O)c1cnc2c(cnn2C)c1[O-] ZINC000352119684 465475781 /nfs/dbraw/zinc/47/57/81/465475781.db2.gz GGLPZSHURIPERF-UHFFFAOYSA-N -1 3 349.394 2.404 20 10 EECDHM CCC(=O)N1CCCN(Cc2cc(Cl)cc(OC)c2[O-])CC1 ZINC000363915558 466652171 /nfs/dbraw/zinc/65/21/71/466652171.db2.gz AAKBCFKUPHQMAK-UHFFFAOYSA-N -1 3 326.824 2.499 20 10 EECDHM CCNC(=O)c1cccc(NC(=O)CN(C)Cc2ccccc2[O-])c1 ZINC000109772447 528271738 /nfs/dbraw/zinc/27/17/38/528271738.db2.gz WDQSMMBBILYHFH-UHFFFAOYSA-N -1 3 341.411 2.212 20 10 EECDHM CC(C)(C)OC(=O)NC[C@H]1CCN(C(=O)c2cc([O-])cs2)C1 ZINC000732283508 577166061 /nfs/dbraw/zinc/16/60/61/577166061.db2.gz LRTMRESIWFNIGG-SNVBAGLBSA-N -1 3 326.418 2.441 20 10 EECDHM CCN1C(=S)N=NC1C1CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000732290992 577167128 /nfs/dbraw/zinc/16/71/28/577167128.db2.gz LLWAHLYOCJYPML-UHFFFAOYSA-N -1 3 338.458 2.374 20 10 EECDHM CN(Cc1cc(C(C)(C)C)n[nH]1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000773336913 577334467 /nfs/dbraw/zinc/33/44/67/577334467.db2.gz CWBVIPGHFIEGFM-OAHLLOKOSA-N -1 3 331.416 2.471 20 10 EECDHM CN(CC(=O)N1CCOCC1)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000768184473 577551738 /nfs/dbraw/zinc/55/17/38/577551738.db2.gz ISFLEPIPHHHHHG-UHFFFAOYSA-N -1 3 340.423 2.350 20 10 EECDHM CC[C@@H]1C[C@H](C)CN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769932589 577587404 /nfs/dbraw/zinc/58/74/04/577587404.db2.gz YJNGMRHKFBCUKR-CMPLNLGQSA-N -1 3 326.418 2.024 20 10 EECDHM C[C@H](NCC(=O)NCc1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756477145 577844775 /nfs/dbraw/zinc/84/47/75/577844775.db2.gz XLFFZNLMWPLCIU-LBPRGKRZSA-N -1 3 329.356 2.267 20 10 EECDHM CCN1C(=O)C(=Cc2ccc(OC)c(-c3nnn[n-]3)c2)SC1=S ZINC000736564349 578211670 /nfs/dbraw/zinc/21/16/70/578211670.db2.gz DWMZUZBAXDUNNA-XFFZJAGNSA-N -1 3 347.425 2.096 20 10 EECDHM CCN1C(=O)C(=Cc2ccc(OC)c(-c3nn[n-]n3)c2)SC1=S ZINC000736564349 578211671 /nfs/dbraw/zinc/21/16/71/578211671.db2.gz DWMZUZBAXDUNNA-XFFZJAGNSA-N -1 3 347.425 2.096 20 10 EECDHM C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000820428509 599393032 /nfs/dbraw/zinc/39/30/32/599393032.db2.gz XRKYMODSLNNZSU-SNVBAGLBSA-N -1 3 340.343 2.331 20 10 EECDHM C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000820428509 599393034 /nfs/dbraw/zinc/39/30/34/599393034.db2.gz XRKYMODSLNNZSU-SNVBAGLBSA-N -1 3 340.343 2.331 20 10 EECDHM CC(=O)c1cc(F)cc(CN2CC[S@@](=O)C(C)(C)CC2)c1[O-] ZINC000321743740 690350765 /nfs/dbraw/zinc/35/07/65/690350765.db2.gz WDPWIGXZEASSNY-JOCHJYFZSA-N -1 3 327.421 2.467 20 10 EECDHM O=C(c1cccc(O)c1[O-])N1CCC[C@]12CCN(C1CCCC1)C2=O ZINC001269686379 1184511611 /nfs/dbraw/zinc/51/16/11/1184511611.db2.gz NLYGDIUNBXIZIT-LJQANCHMSA-N -1 3 344.411 2.248 20 10 EECDHM [O-]c1cc(F)c(F)cc1CN1CCn2cc(CN3CCCC3)nc2C1 ZINC001142512663 1188209588 /nfs/dbraw/zinc/20/95/88/1188209588.db2.gz HMOYXLLOHGKDSZ-UHFFFAOYSA-N -1 3 348.397 2.479 20 10 EECDHM Cc1cc(Br)c([O-])c(CN2CCSC[C@@H]2CO)c1 ZINC000877780504 1200097494 /nfs/dbraw/zinc/09/74/94/1200097494.db2.gz SRSFCMPXTQAEBK-NSHDSACASA-N -1 3 332.263 2.373 20 10 EECDHM CC(=O)NC1CCN(Cc2cccc(Br)c2[O-])CC1 ZINC000092669861 1214578966 /nfs/dbraw/zinc/57/89/66/1214578966.db2.gz MNJGIQRWMGBJEA-UHFFFAOYSA-N -1 3 327.222 2.255 20 10 EECDHM CCOC(=O)CN(Cc1ccccc1)C(=O)c1cccc(O)c1[O-] ZINC000303687431 1277812216 /nfs/dbraw/zinc/81/22/16/1277812216.db2.gz JLSSAEITZFGTPE-UHFFFAOYSA-N -1 3 329.352 2.303 20 10 EECDHM COC(=O)c1ccc(NC(=O)c2ccc(C)c(O)c2[O-])c(OC)c1 ZINC000781129256 1303744120 /nfs/dbraw/zinc/74/41/20/1303744120.db2.gz QNZSLUVHLJUFPQ-UHFFFAOYSA-N -1 3 331.324 2.454 20 10 EECDHM CC(C)(C)OC(=O)N1C[C@@H]2CN(Cc3cc(C(=O)[O-])ccc3O)C[C@H]21 ZINC001231565939 1303849585 /nfs/dbraw/zinc/84/95/85/1303849585.db2.gz FBYOUMJDZDYRRX-UONOGXRCSA-N -1 3 348.399 2.142 20 10 EECDHM CCNC(=O)CO[C@H]1CCCN(Cc2cccc(Cl)c2[O-])C1 ZINC001231912337 1303945131 /nfs/dbraw/zinc/94/51/31/1303945131.db2.gz DYZDDJGNNLLXFL-ZDUSSCGKSA-N -1 3 326.824 2.163 20 10 EECDHM C[C@H]1COC[C@@H]1Oc1cc([O-])cc2oc3cc(O)c(O)cc3c(=O)c12 ZINC001234746266 1305017291 /nfs/dbraw/zinc/01/72/91/1305017291.db2.gz IFCFHQKKUFWNPW-PWJLMRLQSA-N -1 3 344.319 2.477 20 10 EECDHM COc1cc([O-])c(CN2CCN(c3nccc(C)n3)CC2)c(Cl)c1 ZINC001236806262 1305683155 /nfs/dbraw/zinc/68/31/55/1305683155.db2.gz RXSHCZFQILJFDS-UHFFFAOYSA-N -1 3 348.834 2.475 20 10 EECDHM COc1cc([O-])c(CN2C[C@H](F)[C@@H](OC)C2)c(Br)c1 ZINC001237061804 1305782486 /nfs/dbraw/zinc/78/24/86/1305782486.db2.gz IHLAJSXJAVEOPV-AAEUAGOBSA-N -1 3 334.185 2.332 20 10 EECDHM [O-]c1cc(Cl)c(F)cc1CN1CCN(C[C@H]2CCCO2)CC1 ZINC001237935365 1306153455 /nfs/dbraw/zinc/15/34/55/1306153455.db2.gz DBLIHNCYWATWPJ-CYBMUJFWSA-N -1 3 328.815 2.481 20 10 EECDHM CC(C)(C)OC(=O)N[C@H]1CN(Cc2c([O-])cccc2Cl)C[C@H]1O ZINC001140341201 1314871126 /nfs/dbraw/zinc/87/11/26/1314871126.db2.gz CGPHFQYRTNHNSI-GXTWGEPZSA-N -1 3 342.823 2.115 20 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/nfs/dbraw/zinc/52/59/55/1369525955.db2.gz DRQBWKDCRBHXTE-CLFVBBPSSA-N -1 3 332.263 2.496 20 10 EECDHM O=C1[C@@H](NCc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@@H]2CCCCN12 ZINC000835073533 1372586883 /nfs/dbraw/zinc/58/68/83/1372586883.db2.gz MTEBNQGNDXNTGL-RYUDHWBXSA-N -1 3 339.779 2.197 20 10 EECDHM CC1(C)CN(Cc2cc(Br)ccc2[O-])C[C@@H](CO)O1 ZINC000817413384 784765362 /nfs/dbraw/zinc/76/53/62/784765362.db2.gz XDSNSTRRYQCACL-LBPRGKRZSA-N -1 3 330.222 2.126 20 10 EECDHM CCOC(=O)C[C@H](NC(=O)c1cccc(O)c1[O-])c1cccc(O)c1 ZINC001148224813 792260675 /nfs/dbraw/zinc/26/06/75/792260675.db2.gz VVDSGQJCXDMRMR-AWEZNQCLSA-N -1 3 345.351 2.228 20 10 EECDHM COc1ccc(NC(=O)c2ccc(C)c(O)c2[O-])cc1NC(N)=O ZINC000787704078 807198479 /nfs/dbraw/zinc/19/84/79/807198479.db2.gz XQNPHHNDUVVECI-UHFFFAOYSA-N -1 3 331.328 2.158 20 10 EECDHM COC(=O)CCOc1ccc(NC(=O)c2cccc(O)c2[O-])cc1 ZINC000790598167 808824271 /nfs/dbraw/zinc/82/42/71/808824271.db2.gz JQBCNEPWBFAGQG-UHFFFAOYSA-N -1 3 331.324 2.292 20 10 EECDHM CN(C)c1ccc(CN2CCC[C@H](O)[C@@H]2C(=O)[O-])c(C(F)(F)F)c1 ZINC001598317563 991305148 /nfs/dbraw/zinc/30/51/48/991305148.db2.gz IMZHREQGLTUPQE-UONOGXRCSA-N -1 3 346.349 2.181 20 10 EECDHM COc1ccc(N2CCCN(Cc3c[nH]c(C(=O)[O-])c3)CC2)cc1 ZINC001599585322 993605258 /nfs/dbraw/zinc/60/52/58/993605258.db2.gz OUAKJASTCUYJDB-UHFFFAOYSA-N -1 3 329.400 2.434 20 10 EECDHM C[C@H]([NH2+]C[C@@H](O)COc1cccc(F)c1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593245775 994440898 /nfs/dbraw/zinc/44/08/98/994440898.db2.gz BVONKEXCYPLOFG-SMDDNHRTSA-N -1 3 349.358 2.320 20 10 EECDHM C[C@H]([NH2+]C[C@H](CO)CC1CCOCC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593248631 994472440 /nfs/dbraw/zinc/47/24/40/994472440.db2.gz VENUKRKPLGYSPK-GXTWGEPZSA-N -1 3 337.416 2.166 20 10 EECDHM COc1cc(C)cc(CN[C@@H]2CCCn3nc(C(=O)[O-])cc32)c1O ZINC001599392380 997062432 /nfs/dbraw/zinc/06/24/32/997062432.db2.gz NCSUGTYWBXEHSN-GFCCVEGCSA-N -1 3 331.372 2.229 20 10 EECDHM COc1cc(Cl)cc(C[NH2+][C@@H](CC2CCOCC2)C(=O)[O-])c1[O-] ZINC001599420718 997590558 /nfs/dbraw/zinc/59/05/58/997590558.db2.gz QEMZWNMJCOHLRK-ZDUSSCGKSA-N -1 3 343.807 2.414 20 10 EECDHM Cn1ccnc1[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccccc1F ZINC000370499805 238258547 /nfs/dbraw/zinc/25/85/47/238258547.db2.gz ODJHFGMSKKHBDW-HNNXBMFYSA-N -1 3 341.342 2.490 20 10 EECDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])CC1CCOCC1 ZINC000112698102 533498133 /nfs/dbraw/zinc/49/81/33/533498133.db2.gz NAYQSOCKJJLCBA-UHFFFAOYSA-N -1 3 327.808 2.447 20 10 EECDHM CCN(Cc1cc(Br)ccc1[O-])[C@H]1CCN(C)C1=O ZINC000076118445 462811501 /nfs/dbraw/zinc/81/15/01/462811501.db2.gz LYALUDVQMIDIGX-LBPRGKRZSA-N -1 3 327.222 2.207 20 10 EECDHM COCCC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000158085683 463202501 /nfs/dbraw/zinc/20/25/01/463202501.db2.gz YBJDKIQSZHXYFA-AWEZNQCLSA-N -1 3 326.824 2.163 20 10 EECDHM CCn1nccc1N1CCC[C@H](NCc2cccc(F)c2[O-])C1=O ZINC000276768467 463750485 /nfs/dbraw/zinc/75/04/85/463750485.db2.gz OABCSDVJGGVSRB-AWEZNQCLSA-N -1 3 332.379 2.033 20 10 EECDHM O=C(c1cccc(O)c1[O-])N1CCOC[C@@H]1C[C@@H](O)c1cccs1 ZINC000279091072 464036585 /nfs/dbraw/zinc/03/65/85/464036585.db2.gz GESZDHFBLYOGBJ-SMDDNHRTSA-N -1 3 349.408 2.124 20 10 EECDHM Cc1ccc(C(=O)N2CCN([C@@H](C)C(F)(F)F)CC2)c([O-])c1O ZINC000179537101 464153354 /nfs/dbraw/zinc/15/33/54/464153354.db2.gz PIJGDVQMNRWWMT-JTQLQIEISA-N -1 3 332.322 2.115 20 10 EECDHM [O-]c1ccc(Br)cc1CN1CCC[C@@H](OCCO)C1 ZINC000179569916 464159965 /nfs/dbraw/zinc/15/99/65/464159965.db2.gz AXEWWBRDPHBRPR-CYBMUJFWSA-N -1 3 330.222 2.128 20 10 EECDHM COc1cc(Cl)cc(CN2C[C@H](C)O[C@@]3(CCOC3)C2)c1[O-] ZINC000280142023 464191723 /nfs/dbraw/zinc/19/17/23/464191723.db2.gz DCHTVJFLFOVVQP-ZBEGNZNMSA-N -1 3 327.808 2.434 20 10 EECDHM CCN(CC)CC(=O)N1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000180032608 464227502 /nfs/dbraw/zinc/22/75/02/464227502.db2.gz ASGMBSAWGPJXBS-UHFFFAOYSA-N -1 3 339.867 2.032 20 10 EECDHM Cc1ccc(C(=O)Nc2nnc(C3CCOCC3)s2)c([O-])c1O ZINC000294386982 464486032 /nfs/dbraw/zinc/48/60/32/464486032.db2.gz SKZUSTBICVVZTB-UHFFFAOYSA-N -1 3 335.385 2.404 20 10 EECDHM O=[N+]([O-])c1ccc([O-])c(CN[C@@]2(CO)CCOc3ccccc32)c1 ZINC000281714023 464557457 /nfs/dbraw/zinc/55/74/57/464557457.db2.gz OTEVNESNHUSPLD-QGZVFWFLSA-N -1 3 330.340 2.060 20 10 EECDHM CN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000275118322 464764572 /nfs/dbraw/zinc/76/45/72/464764572.db2.gz LVUIYMXNCDVXAD-NSHDSACASA-N -1 3 336.388 2.179 20 10 EECDHM COc1cc(Cl)cc(CN2CCO[C@@H]([C@H]3CCCO3)C2)c1[O-] ZINC000248896252 464818314 /nfs/dbraw/zinc/81/83/14/464818314.db2.gz VBJKEQQRGZDDSG-UKRRQHHQSA-N -1 3 327.808 2.434 20 10 EECDHM CC(C)(C)c1ncc2c(n1)CCN(C(=O)c1cccc(O)c1[O-])C2 ZINC000529679098 467894661 /nfs/dbraw/zinc/89/46/61/467894661.db2.gz YXFRDHSMUIKBBW-UHFFFAOYSA-N -1 3 327.384 2.384 20 10 EECDHM CCCOc1ccc(CN(CC)[C@@H](C)CS(C)(=O)=O)c([O-])c1 ZINC000093391091 528660239 /nfs/dbraw/zinc/66/02/39/528660239.db2.gz NPPJHRJGBRXEJC-ZDUSSCGKSA-N -1 3 329.462 2.436 20 10 EECDHM COc1ccc(OC)c(NC(=S)NN=c2nc(C)cc(C)[n-]2)c1 ZINC000726435010 576263435 /nfs/dbraw/zinc/26/34/35/576263435.db2.gz YITIRIIXPNOGSY-UHFFFAOYSA-N -1 3 333.417 2.424 20 10 EECDHM COc1c([O-])c(CN2CCC[C@H](n3ccnc3)C2)ccc1[N+](=O)[O-] ZINC000774875635 577421595 /nfs/dbraw/zinc/42/15/95/577421595.db2.gz LUCKCWDLMOHXAM-ZDUSSCGKSA-N -1 3 332.360 2.343 20 10 EECDHM COc1c([O-])c(CNc2cccc(NC(N)=O)c2)ccc1[N+](=O)[O-] ZINC000774936288 577423809 /nfs/dbraw/zinc/42/38/09/577423809.db2.gz RKKVWHXRVRIQSJ-UHFFFAOYSA-N -1 3 332.316 2.412 20 10 EECDHM COc1c([O-])c(CN[C@H](C)C(=O)Nc2ccccc2)ccc1[N+](=O)[O-] ZINC000775010927 577426313 /nfs/dbraw/zinc/42/63/13/577426313.db2.gz GYWPVYMQKRNOGU-LLVKDONJSA-N -1 3 345.355 2.426 20 10 EECDHM COc1c([O-])c(CN[C@H](CO)c2ccccc2C)ccc1[N+](=O)[O-] ZINC000775034027 577427345 /nfs/dbraw/zinc/42/73/45/577427345.db2.gz PCZMIMHPQLMRHG-CQSZACIVSA-N -1 3 332.356 2.441 20 10 EECDHM COC(=O)CN(Cc1cc(C)n(C)n1)Cc1cc(Cl)ccc1[O-] ZINC000767901805 577547013 /nfs/dbraw/zinc/54/70/13/577547013.db2.gz YRXCOSSYUPAWIW-UHFFFAOYSA-N -1 3 337.807 2.263 20 10 EECDHM COC(=O)CN(Cc1cnc(N)s1)Cc1cc(Cl)ccc1[O-] ZINC000769378607 577576516 /nfs/dbraw/zinc/57/65/16/577576516.db2.gz FOTUCINOWQPOBI-UHFFFAOYSA-N -1 3 341.820 2.260 20 10 EECDHM CCOc1ccc(CN(C)[C@H]2CCN(CC(F)(F)F)C2=O)c([O-])c1 ZINC000769410347 577577267 /nfs/dbraw/zinc/57/72/67/577577267.db2.gz BLFPNUQVQVSKHE-ZDUSSCGKSA-N -1 3 346.349 2.386 20 10 EECDHM O=C(NC[C@H]1CC(=O)N(Cc2ccccc2)C1)c1cc([O-])cs1 ZINC000760866453 577670987 /nfs/dbraw/zinc/67/09/87/577670987.db2.gz IQVPQVACTWAHPX-CYBMUJFWSA-N -1 3 330.409 2.232 20 10 EECDHM C[C@]1(CN2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)CCCO1 ZINC000761268363 577680818 /nfs/dbraw/zinc/68/08/18/577680818.db2.gz MVWYKFWQIPPCET-MRXNPFEDSA-N -1 3 338.791 2.379 20 10 EECDHM CCOC(=O)[C@@H]1CSCCN1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000750817508 577743206 /nfs/dbraw/zinc/74/32/06/577743206.db2.gz OFNVGPGDMIFVMV-AWEZNQCLSA-N -1 3 341.404 2.214 20 10 EECDHM Cc1cc(C(=O)Nc2cn[nH]c2)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000737238292 578245449 /nfs/dbraw/zinc/24/54/49/578245449.db2.gz JLSZYJYLLIEVRO-UHFFFAOYSA-N -1 3 348.370 2.250 20 10 EECDHM Cc1cc(C(=O)Nc2cn[nH]c2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737238292 578245450 /nfs/dbraw/zinc/24/54/50/578245450.db2.gz JLSZYJYLLIEVRO-UHFFFAOYSA-N -1 3 348.370 2.250 20 10 EECDHM COC(=O)[C@@H](CC(F)F)NCc1ccc(Br)cc1[O-] ZINC000825672073 1198551456 /nfs/dbraw/zinc/55/14/56/1198551456.db2.gz YRGIMEKUSRPKRR-SECBINFHSA-N -1 3 338.148 2.441 20 10 EECDHM CC(C)NC(=O)N1C[C@@H]2CCN(Cc3c(F)ccc(F)c3[O-])[C@@H]2C1 ZINC001275363134 1205322680 /nfs/dbraw/zinc/32/26/80/1205322680.db2.gz XRRBELZPIAHQHW-XHDPSFHLSA-N -1 3 339.386 2.295 20 10 EECDHM O=C(NC[C@]1(O)CCC[C@@H](C(F)(F)F)C1)c1cccc(O)c1[O-] ZINC000187796184 1208541959 /nfs/dbraw/zinc/54/19/59/1208541959.db2.gz PUQOHQBYOVHCHM-OTYXRUKQSA-N -1 3 333.306 2.311 20 10 EECDHM C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccsc1 ZINC000801439217 1235584092 /nfs/dbraw/zinc/58/40/92/1235584092.db2.gz ZYCVNJYOEQFLFM-VIFPVBQESA-N -1 3 340.426 2.316 20 10 EECDHM CC(=O)c1cc(Cl)cc(CN2CC[C@@H](N3CCOC3=O)C2)c1[O-] ZINC000852434423 1292112950 /nfs/dbraw/zinc/11/29/50/1292112950.db2.gz YZMILGZWMGXLGA-CYBMUJFWSA-N -1 3 338.791 2.275 20 10 EECDHM CCOCCN1CCN(Cc2c([O-])cccc2Br)CC1 ZINC000862217114 1295752997 /nfs/dbraw/zinc/75/29/97/1295752997.db2.gz WULRNMZLECMABZ-UHFFFAOYSA-N -1 3 343.265 2.309 20 10 EECDHM COC[C@H]1CN(Cc2cc(Cl)c([O-])cc2O)Cc2ncn(C)c21 ZINC001232259659 1304056906 /nfs/dbraw/zinc/05/69/06/1304056906.db2.gz HNUBMFTUNPICDE-LLVKDONJSA-N -1 3 337.807 2.231 20 10 EECDHM C[C@@H]1CN(C2CN(Cc3cc(Cl)c([O-])cc3O)C2)C[C@@H](C)O1 ZINC001232266840 1304058006 /nfs/dbraw/zinc/05/80/06/1304058006.db2.gz ZVRYUAWKDIAANK-GHMZBOCLSA-N -1 3 326.824 2.045 20 10 EECDHM COC(=O)C[C@H]1CN(Cc2ccc(C(F)(F)F)cc2[O-])CCO1 ZINC001233454129 1304470227 /nfs/dbraw/zinc/47/02/27/1304470227.db2.gz HZGHRYCPJOJRNB-LBPRGKRZSA-N -1 3 333.306 2.175 20 10 EECDHM CN1CCN(C2CN(Cc3cc(Cl)c(Cl)cc3[O-])C2)CC1 ZINC001236803095 1305680853 /nfs/dbraw/zinc/68/08/53/1305680853.db2.gz MNSJYDNLIMUKNZ-UHFFFAOYSA-N -1 3 330.259 2.131 20 10 EECDHM COc1ccc(CN2CCC(N(C)C(C)=O)CC2)c([O-])c1Cl ZINC001236805951 1305684200 /nfs/dbraw/zinc/68/42/00/1305684200.db2.gz HULOFFAMXPYZFX-UHFFFAOYSA-N -1 3 326.824 2.497 20 10 EECDHM COc1cc([O-])c(CN2C[C@H](CO)C[C@H](F)C2)c(Br)c1 ZINC001237064139 1305784709 /nfs/dbraw/zinc/78/47/09/1305784709.db2.gz XDAOUGOBYRQEIB-ZJUUUORDSA-N -1 3 348.212 2.316 20 10 EECDHM [O-]c1c(I)cccc1CN1CCC2(COC2)C1 ZINC001237778181 1306084447 /nfs/dbraw/zinc/08/44/47/1306084447.db2.gz SXZZYZRGNCUJKD-UHFFFAOYSA-N -1 3 345.180 2.219 20 10 EECDHM CN(C)C(=O)[C@H]1C[C@@H]2[C@@H](CCN2Cc2cc(F)c(Cl)cc2[O-])O1 ZINC001237938683 1306155272 /nfs/dbraw/zinc/15/52/72/1306155272.db2.gz MTQZTKVDUBGWCS-BPLDGKMQSA-N -1 3 342.798 2.005 20 10 EECDHM CCOC(=O)c1ccccc1NC(=S)NCc1ncccc1[O-] ZINC001245445297 1310106025 /nfs/dbraw/zinc/10/60/25/1310106025.db2.gz TWJDVOXGFAOZGO-UHFFFAOYSA-N -1 3 331.397 2.451 20 10 EECDHM [O-]c1ccc(F)cc1CN1CCn2c(COCC3CC3)nnc2C1 ZINC001140053942 1314806081 /nfs/dbraw/zinc/80/60/81/1314806081.db2.gz FVIXJIOJSYABKM-UHFFFAOYSA-N -1 3 332.379 2.065 20 10 EECDHM COC[C@@H]1c2nnn(CC3CC3)c2CCN1Cc1cc(F)ccc1[O-] ZINC001140063248 1314806955 /nfs/dbraw/zinc/80/69/55/1314806955.db2.gz OJYNDTKASSLQDN-MRXNPFEDSA-N -1 3 346.406 2.279 20 10 EECDHM CCOC[C@H]1CN(Cc2ccc(Cl)cc2[O-])Cc2nnn(C)c21 ZINC001140465605 1314892826 /nfs/dbraw/zinc/89/28/26/1314892826.db2.gz QVYQAYXWENVFGW-GFCCVEGCSA-N -1 3 336.823 2.310 20 10 EECDHM CS(=O)(=O)c1ccc([O-])c(Nc2ccncc2C(F)(F)F)c1 ZINC001249592572 1317128037 /nfs/dbraw/zinc/12/80/37/1317128037.db2.gz GPQWVFZIVBJKIK-UHFFFAOYSA-N -1 3 332.303 2.375 20 10 EECDHM CC(=O)NCc1ncn2c1CN(Cc1cc(Cl)ccc1[O-])CCC2 ZINC001203657769 1321934363 /nfs/dbraw/zinc/93/43/63/1321934363.db2.gz NDRCCFDSLRFLAO-UHFFFAOYSA-N -1 3 348.834 2.284 20 10 EECDHM [O-]c1ccc(F)c(F)c1CN1CCCC2(CN(Cc3cn[nH]c3)C2)C1 ZINC001276469226 1322158849 /nfs/dbraw/zinc/15/88/49/1322158849.db2.gz AIURTFOCXLXPHO-UHFFFAOYSA-N -1 3 348.397 2.492 20 10 EECDHM Cn1nc(C(=O)[N-]c2c3nonc3ccc2Cl)cc1OC(F)F ZINC001323484022 1333473840 /nfs/dbraw/zinc/47/38/40/1333473840.db2.gz SPTGLLFBWFIBGL-UHFFFAOYSA-N -1 3 343.677 2.463 20 10 EECDHM Cc1cc(N(C)C)ccc1CNC(=O)CCc1c(C)nc[n-]c1=O ZINC001328455379 1334460663 /nfs/dbraw/zinc/46/06/63/1334460663.db2.gz JPNCTPHIPYAYRL-UHFFFAOYSA-N -1 3 328.416 2.114 20 10 EECDHM C[C@H]([NH2+]C1CCN(C[C@H]2CCCO2)CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609780697 1352083672 /nfs/dbraw/zinc/08/36/72/1352083672.db2.gz UYZBWYIOWNJANT-XJKSGUPXSA-N -1 3 348.443 2.384 20 10 EECDHM C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589951271 1349074913 /nfs/dbraw/zinc/07/49/13/1349074913.db2.gz AAQHKGSWMCLSAR-YWSWHFDRSA-N -1 3 341.415 2.181 20 10 EECDHM CC[C@H]([NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-])[C@@H]1CCCOC1 ZINC001590462987 1349338766 /nfs/dbraw/zinc/33/87/66/1349338766.db2.gz WKNZPILNIUYCJK-JMSVASOKSA-N -1 3 331.420 2.428 20 10 EECDHM Cc1cc(N[C@H](C)Cc2ccc(O)c(O)c2)ncc1-c1nnn[n-]1 ZINC001592034444 1349586439 /nfs/dbraw/zinc/58/64/39/1349586439.db2.gz KUSJKAYFTOUTNQ-SNVBAGLBSA-N -1 3 326.360 2.024 20 10 EECDHM Cc1cc(N[C@H](C)Cc2ccc(O)c(O)c2)ncc1-c1nn[n-]n1 ZINC001592034444 1349586442 /nfs/dbraw/zinc/58/64/42/1349586442.db2.gz KUSJKAYFTOUTNQ-SNVBAGLBSA-N -1 3 326.360 2.024 20 10 EECDHM CC[C@H]([NH2+]C[C@@H]1CCO[C@H](C)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604057280 1350842547 /nfs/dbraw/zinc/84/25/47/1350842547.db2.gz ZEJXGDDTVKXXBU-JMSVASOKSA-N -1 3 331.420 2.428 20 10 EECDHM Cc1ncsc1CC[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001592425136 1404031761 /nfs/dbraw/zinc/03/17/61/1404031761.db2.gz VKODEUWVUDROPN-VIFPVBQESA-N -1 3 330.417 2.231 20 10 EECDHM CC(C)(C)C(=O)NCCC1=CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001089830764 777351253 /nfs/dbraw/zinc/35/12/53/777351253.db2.gz KNFFZVFMGJJLJO-UHFFFAOYSA-N -1 3 348.403 2.384 20 10 EECDHM CCc1cc(=O)[n-]c(CN(C)CCN(C)c2ccc(OC)cc2)n1 ZINC000844402174 789068924 /nfs/dbraw/zinc/06/89/24/789068924.db2.gz WBYNJBMSVWLTMD-UHFFFAOYSA-N -1 3 330.432 2.321 20 10 EECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCCC2CCCC2)c1 ZINC000055196039 789086446 /nfs/dbraw/zinc/08/64/46/789086446.db2.gz YTTLNPDTIYSGFK-UHFFFAOYSA-N -1 3 340.445 2.464 20 10 EECDHM COC(=O)[C@H](NCc1cc(F)ccc1[O-])[C@H]1CCC[C@H](OC)C1 ZINC000846107335 790053196 /nfs/dbraw/zinc/05/31/96/790053196.db2.gz HRGGRAKKSVJCLA-HZUKXOBISA-N -1 3 325.380 2.368 20 10 EECDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1ccc(=O)[nH]n1 ZINC001146989574 791607380 /nfs/dbraw/zinc/60/73/80/791607380.db2.gz NPEMNSSVKSHTFZ-UHFFFAOYSA-N -1 3 330.731 2.019 20 10 EECDHM O=C(c1cccc(O)c1[O-])N1CCN(c2ccc(F)c(F)c2)CC1 ZINC001148213113 792245106 /nfs/dbraw/zinc/24/51/06/792245106.db2.gz VRRWZLLKYWAGQG-UHFFFAOYSA-N -1 3 334.322 2.338 20 10 EECDHM Cc1[nH]c(=O)c(CNC(=O)c2cccc(O)c2[O-])c2c1CCCC2 ZINC001148220047 792253445 /nfs/dbraw/zinc/25/34/45/792253445.db2.gz NJBZGSWKQUUDOK-UHFFFAOYSA-N -1 3 328.368 2.316 20 10 EECDHM CN1CCN(c2ccc(F)cc2NC(=O)c2cccc(O)c2[O-])CC1 ZINC001148219193 792254418 /nfs/dbraw/zinc/25/44/18/792254418.db2.gz WKBAWBYSHGHETH-UHFFFAOYSA-N -1 3 345.374 2.241 20 10 EECDHM CN(c1c(F)ccc([O-])c1F)S(=O)(=O)Cc1ccc(N)cc1 ZINC001175266257 798063735 /nfs/dbraw/zinc/06/37/35/798063735.db2.gz VVKCPCAQJDZKCI-UHFFFAOYSA-N -1 3 328.340 2.219 20 10 EECDHM NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1cccc(Br)c1[O-] ZINC000787423336 807110223 /nfs/dbraw/zinc/11/02/23/807110223.db2.gz KBTHXNROJJUHIZ-XWIASGKRSA-N -1 3 339.233 2.241 20 10 EECDHM COC(=O)[C@@H](CNC(=O)c1cccc(O)c1[O-])Cc1cccc(C)c1 ZINC000790663394 808871817 /nfs/dbraw/zinc/87/18/17/808871817.db2.gz GVSHIMKRIFWVJT-CQSZACIVSA-N -1 3 343.379 2.168 20 10 EECDHM CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])[C@H]1n1cccn1 ZINC001596833981 985473023 /nfs/dbraw/zinc/47/30/23/985473023.db2.gz TWJNVYYVNPRTMR-HYEYJGRESA-N -1 3 345.399 2.356 20 10 EECDHM C[C@H]([NH2+][C@@H]1CCC[C@H]([S@@](C)=O)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593225824 994350463 /nfs/dbraw/zinc/35/04/63/994350463.db2.gz YPZSJVGLIQILDF-UIUJZNGJSA-N -1 3 325.430 2.431 20 10 EECDHM C[C@@H]([NH2+]C1CCN(c2cccnn2)CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593234075 994395997 /nfs/dbraw/zinc/39/59/97/994395997.db2.gz VGLGZAXPARLZGB-GFCCVEGCSA-N -1 3 342.399 2.200 20 10 EECDHM C[C@H]([NH2+][C@H]1CCO[C@H](c2ccnn2C)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593234421 994402791 /nfs/dbraw/zinc/40/27/91/994402791.db2.gz ZPOXNZZRONSBBW-BNLOLNQZSA-N -1 3 345.399 2.395 20 10 EECDHM C[C@H]([NH2+]CCc1cccc(C(N)=O)c1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593272641 994612452 /nfs/dbraw/zinc/61/24/52/994612452.db2.gz ANNPGJCFBBKCIP-NSHDSACASA-N -1 3 328.368 2.083 20 10 EECDHM CNC(=O)C1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000133341707 462921088 /nfs/dbraw/zinc/92/10/88/462921088.db2.gz STYPPGXFJXYPRD-UHFFFAOYSA-N -1 3 327.222 2.113 20 10 EECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCC2=CCCCC2)c1 ZINC000055093545 463283854 /nfs/dbraw/zinc/28/38/54/463283854.db2.gz ZGYGRFITRYJPIL-UHFFFAOYSA-N -1 3 338.429 2.384 20 10 EECDHM CCCOc1ccc(CN2CCN(c3cnn(C)c3)CC2)c([O-])c1 ZINC000126110119 463606070 /nfs/dbraw/zinc/60/60/70/463606070.db2.gz WBSNMLKFXOKMMO-UHFFFAOYSA-N -1 3 330.432 2.237 20 10 EECDHM Cc1csc(N2CCN(C(=O)c3ccc(C)c(O)c3[O-])CC2)n1 ZINC000177671233 463762535 /nfs/dbraw/zinc/76/25/35/463762535.db2.gz YEHVPVNMGVJRAI-UHFFFAOYSA-N -1 3 333.413 2.134 20 10 EECDHM CC[C@@H]1[C@@H](C)CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000187430655 464128875 /nfs/dbraw/zinc/12/88/75/464128875.db2.gz DPDZZLHTOBKNBS-GXFFZTMASA-N -1 3 326.418 2.024 20 10 EECDHM CC[C@@H](CN1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O)OC ZINC000291149986 464146264 /nfs/dbraw/zinc/14/62/64/464146264.db2.gz OXNVEYFHYTYPSV-LBPRGKRZSA-N -1 3 326.780 2.235 20 10 EECDHM COC(=O)[C@H]1COCCN1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000271171358 464285705 /nfs/dbraw/zinc/28/57/05/464285705.db2.gz JBWCLTQYTHOPFB-QGZVFWFLSA-N -1 3 327.380 2.433 20 10 EECDHM CC[C@@H]1CN(Cc2cc(F)cc(C(C)=O)c2[O-])C[C@@H](C)[S@@]1=O ZINC000285410895 464554810 /nfs/dbraw/zinc/55/48/10/464554810.db2.gz BJZNVVCUGMJEOV-CZTUFZMGSA-N -1 3 327.421 2.465 20 10 EECDHM C[C@H](NCCS(=O)(=O)C(C)(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273467804 464717412 /nfs/dbraw/zinc/71/74/12/464717412.db2.gz JEJWYDBGMSZARM-JTQLQIEISA-N -1 3 330.406 2.164 20 10 EECDHM CCc1nn(C)c(OC)c1CN[C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000273538317 464719704 /nfs/dbraw/zinc/71/97/04/464719704.db2.gz XTNSVXFOZDVTTO-NSHDSACASA-N -1 3 347.415 2.334 20 10 EECDHM Cc1cc(Br)cc(CN[C@H](C)c2ncn(C)n2)c1[O-] ZINC000276299533 464881705 /nfs/dbraw/zinc/88/17/05/464881705.db2.gz UPDOFDPRQXHVPN-SECBINFHSA-N -1 3 325.210 2.442 20 10 EECDHM CCn1cc(CN2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)cn1 ZINC000286423087 464912359 /nfs/dbraw/zinc/91/23/59/464912359.db2.gz SHSYZUSIDHROEN-UHFFFAOYSA-N -1 3 348.790 2.226 20 10 EECDHM C[C@@H](N[C@H](C)c1ccc(Br)cc1[O-])C(=O)NCCF ZINC000282770535 464940956 /nfs/dbraw/zinc/94/09/56/464940956.db2.gz OWNUTCRNXCJOEZ-RKDXNWHRSA-N -1 3 333.201 2.280 20 10 EECDHM CC(=O)c1cc(F)cc(CN2CCN(Cc3cc(C)no3)CC2)c1[O-] ZINC000177239822 464965851 /nfs/dbraw/zinc/96/58/51/464965851.db2.gz ICPQHKALFZBMSW-UHFFFAOYSA-N -1 3 347.390 2.348 20 10 EECDHM COc1ccc(N2CCCN(C(=O)c3ccc(O)cc3[O-])CC2)cc1 ZINC000193518914 534002715 /nfs/dbraw/zinc/00/27/15/534002715.db2.gz IYKFIHNUPSUTII-UHFFFAOYSA-N -1 3 342.395 2.459 20 10 EECDHM C[C@H](C1CC1)N(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1CC1 ZINC000093946033 534299698 /nfs/dbraw/zinc/29/96/98/534299698.db2.gz UJIJRMFCBXCSRK-SNVBAGLBSA-N -1 3 338.429 2.167 20 10 EECDHM CC(C)C[C@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000091991127 528595689 /nfs/dbraw/zinc/59/56/89/528595689.db2.gz PCRZSICYDRQQJT-GFCCVEGCSA-N -1 3 340.445 2.272 20 10 EECDHM C[C@H]1CN(C(=O)CN(Cc2ccco2)Cc2ccccc2[O-])CCO1 ZINC000731844405 577127485 /nfs/dbraw/zinc/12/74/85/577127485.db2.gz GICYSKCETDFTEL-HNNXBMFYSA-N -1 3 344.411 2.235 20 10 EECDHM Cc1occc1-c1cc(NC(=O)c2cc([O-])cs2)n(CCO)n1 ZINC000732284527 577166296 /nfs/dbraw/zinc/16/62/96/577166296.db2.gz VGLNACWLAFLCQG-UHFFFAOYSA-N -1 3 333.369 2.463 20 10 EECDHM [O-]c1cc2c(cc1CN1CCN(c3ccc(F)cc3)CC1)[C@@H](O)CO2 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COc1cc(Br)cc(C[N@@H+](CC(=O)[O-])C(C)C)c1[O-] ZINC000820754737 598128242 /nfs/dbraw/zinc/12/82/42/598128242.db2.gz KSTYALJPLQKMMZ-UHFFFAOYSA-N -1 3 332.194 2.458 20 10 EECDHM CN(Cc1cc(F)ccc1-c1nnn[n-]1)c1ccc2c(c1)OCO2 ZINC000825953774 607927383 /nfs/dbraw/zinc/92/73/83/607927383.db2.gz PNNIVDKKQWAPCX-UHFFFAOYSA-N -1 3 327.319 2.371 20 10 EECDHM CN(Cc1cc(F)ccc1-c1nn[n-]n1)c1ccc2c(c1)OCO2 ZINC000825953774 607927384 /nfs/dbraw/zinc/92/73/84/607927384.db2.gz PNNIVDKKQWAPCX-UHFFFAOYSA-N -1 3 327.319 2.371 20 10 EECDHM Cc1ncc(C=CC(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)s1 ZINC000826329719 607950141 /nfs/dbraw/zinc/95/01/41/607950141.db2.gz OVSUJOVQXAOZOD-SNAWJCMRSA-N -1 3 338.396 2.234 20 10 EECDHM Cc1ncc(C=CC(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)s1 ZINC000826329719 607950142 /nfs/dbraw/zinc/95/01/42/607950142.db2.gz OVSUJOVQXAOZOD-SNAWJCMRSA-N -1 3 338.396 2.234 20 10 EECDHM CN(Cc1ccccc1O)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000825980669 608016057 /nfs/dbraw/zinc/01/60/57/608016057.db2.gz FZCWMJRYBFTCDI-UHFFFAOYSA-N -1 3 326.316 2.117 20 10 EECDHM CN(Cc1ccccc1O)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000825980669 608016058 /nfs/dbraw/zinc/01/60/58/608016058.db2.gz FZCWMJRYBFTCDI-UHFFFAOYSA-N -1 3 326.316 2.117 20 10 EECDHM COC(=O)[C@@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@H]1C ZINC000280341242 683251713 /nfs/dbraw/zinc/25/17/13/683251713.db2.gz SANYOVNORLYPID-LDYMZIIASA-N -1 3 328.752 2.195 20 10 EECDHM COCCN(Cc1cc(F)cc(F)c1[O-])C[C@@H](O)C(F)(F)F ZINC000895184996 684255310 /nfs/dbraw/zinc/25/53/10/684255310.db2.gz YWOSSMLTSJPGNB-LLVKDONJSA-N -1 3 329.265 2.042 20 10 EECDHM CCCCNC(=O)[C@@H]1CC12CCN(C(=O)c1cccc(O)c1[O-])CC2 ZINC001269685996 1184511224 /nfs/dbraw/zinc/51/12/24/1184511224.db2.gz IXGGRJGHOHZXBY-AWEZNQCLSA-N -1 3 346.427 2.256 20 10 EECDHM CC[C@H](C)N1CC2(CN(Cc3c([O-])cccc3Cl)C2)OCC1=O ZINC001273106632 1194389820 /nfs/dbraw/zinc/38/98/20/1194389820.db2.gz HORSKESFJRCAHU-LBPRGKRZSA-N -1 3 338.835 2.257 20 10 EECDHM COC[C@H]1CN(Cc2ccc(Br)cc2[O-])C[C@H](C)O1 ZINC000825633980 1198427748 /nfs/dbraw/zinc/42/77/48/1198427748.db2.gz GVELXXCGCQHHDH-GXFFZTMASA-N -1 3 330.222 2.390 20 10 EECDHM [O-]c1ccc(Cl)cc1CN1CC2(CCN2CCn2ccnc2)C1 ZINC001275276294 1205295623 /nfs/dbraw/zinc/29/56/23/1205295623.db2.gz HUUJMGDNAODRNP-UHFFFAOYSA-N -1 3 332.835 2.202 20 10 EECDHM CCCCNC(=O)C1(NC(=O)c2cccc(O)c2[O-])CCCCC1 ZINC000188359647 1208688645 /nfs/dbraw/zinc/68/86/45/1208688645.db2.gz HBIKMOLVBZRLDI-UHFFFAOYSA-N -1 3 334.416 2.447 20 10 EECDHM C[C@H](N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1(C)CC1 ZINC000092427030 1214476601 /nfs/dbraw/zinc/47/66/01/1214476601.db2.gz LJBFRXHGVQHARX-JTQLQIEISA-N -1 3 326.418 2.024 20 10 EECDHM O=S(=O)([N-]Cc1ccc(O)c(O)c1)c1ccc(Cl)nc1Cl ZINC001187981428 1279726875 /nfs/dbraw/zinc/72/68/75/1279726875.db2.gz CKHGEHXTIJUERY-UHFFFAOYSA-N -1 3 349.195 2.278 20 10 EECDHM COc1ccc(F)c(S(=O)(=O)[N-]Cc2ccc(N(C)C)cc2)c1 ZINC001196789314 1284253085 /nfs/dbraw/zinc/25/30/85/1284253085.db2.gz RIUROMWLFBYABZ-UHFFFAOYSA-N -1 3 338.404 2.379 20 10 EECDHM O=C([O-])c1ccc(C[NH+]2CCC3(CC(F)(F)CO3)CC2)c([O-])c1 ZINC001231448880 1303799728 /nfs/dbraw/zinc/79/97/28/1303799728.db2.gz DLIMELDEAYRXPE-UHFFFAOYSA-N -1 3 327.327 2.481 20 10 EECDHM COC[C@@H]1c2nnn(C)c2CCN1Cc1cc(Cl)c(C)cc1[O-] ZINC001231865978 1303933955 /nfs/dbraw/zinc/93/39/55/1303933955.db2.gz AMJZLLAEBJTRSV-CQSZACIVSA-N -1 3 336.823 2.228 20 10 EECDHM CC(=O)N1CCO[C@@H]2CN(Cc3cccc(Cl)c3[O-])CC[C@@H]2C1 ZINC001231910908 1303944442 /nfs/dbraw/zinc/94/44/42/1303944442.db2.gz ZHIJAVFGPWTAKN-CZUORRHYSA-N -1 3 338.835 2.115 20 10 EECDHM [O-]c1ccc(F)c(F)c1CN1CC[C@@]2(CCN2c2ncccn2)C1 ZINC001233333562 1304434697 /nfs/dbraw/zinc/43/46/97/1304434697.db2.gz ZVEBJFMSWCYUKO-QGZVFWFLSA-N -1 3 332.354 2.315 20 10 EECDHM CNC(=O)C1CCN(Cc2cc(F)cc(Br)c2[O-])CC1 ZINC001235296577 1305180407 /nfs/dbraw/zinc/18/04/07/1305180407.db2.gz LALJPRYODLWEDU-UHFFFAOYSA-N -1 3 345.212 2.252 20 10 EECDHM COC(=O)[C@H]1CN(Cc2ccc(OC)c(Cl)c2[O-])CC12CC2 ZINC001236818582 1305689482 /nfs/dbraw/zinc/68/94/82/1305689482.db2.gz OVPLEKRZWUYMMA-LLVKDONJSA-N -1 3 325.792 2.439 20 10 EECDHM COC(=O)[C@H](C)N(C)Cc1c([O-])cc(OC)cc1Br ZINC001237071621 1305787866 /nfs/dbraw/zinc/78/78/66/1305787866.db2.gz UUSHGLYRZNRHTH-QMMMGPOBSA-N -1 3 332.194 2.157 20 10 EECDHM O=C1COCCN1C1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC001237623285 1306011933 /nfs/dbraw/zinc/01/19/33/1306011933.db2.gz LPCRKUYQTQGRTK-UHFFFAOYSA-N -1 3 342.798 2.008 20 10 EECDHM CC(=O)N1CCN(Cc2c([O-])cccc2Br)C[C@H]1C ZINC001140103311 1314811532 /nfs/dbraw/zinc/81/15/32/1314811532.db2.gz JBTGKYZRZAYCBN-SNVBAGLBSA-N -1 3 327.222 2.207 20 10 EECDHM O=C(CNc1ncccc1CN1CCCC1)c1ccc([O-])c(O)c1 ZINC001159280304 1319716169 /nfs/dbraw/zinc/71/61/69/1319716169.db2.gz KBYXFQSRNCCABH-UHFFFAOYSA-N -1 3 327.384 2.383 20 10 EECDHM C[C@@H]([NH2+]CC[S@@](=O)CC(F)(F)F)c1cc(C(=O)[O-])ccc1[O-] ZINC001604341143 1350919659 /nfs/dbraw/zinc/91/96/59/1350919659.db2.gz NODLBFYMFWDJFC-CWMRNNLJSA-N -1 3 339.335 2.052 20 10 EECDHM O=C([O-])c1cc(C2CN(Cc3ccc(N4CCCC4)cc3)C2)[nH]n1 ZINC001608840681 1351776194 /nfs/dbraw/zinc/77/61/94/1351776194.db2.gz DPZDVLVOEYTORF-UHFFFAOYSA-N -1 3 326.400 2.308 20 10 EECDHM CN1CCN(c2ccc(CNCc3ccc(C(=O)[O-])o3)cc2F)CC1 ZINC001610137307 1352171652 /nfs/dbraw/zinc/17/16/52/1352171652.db2.gz LWLUDFCGJIKITF-UHFFFAOYSA-N -1 3 347.390 2.159 20 10 EECDHM CC(C)[C@@H](O)C1(C[NH2+][C@H](C)c2cccc(-c3nn[n-]n3)c2[O-])CC1 ZINC001589978984 1349090684 /nfs/dbraw/zinc/09/06/84/1349090684.db2.gz UDGQTATZSWDIAZ-IAQYHMDHSA-N -1 3 331.420 2.020 20 10 EECDHM CC[C@H]([NH2+]CCc1ccns1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590470193 1349345103 /nfs/dbraw/zinc/34/51/03/1349345103.db2.gz PBUGNQRDIVMTBO-ZDUSSCGKSA-N -1 3 330.417 2.312 20 10 EECDHM COC(=O)c1cccc(CSc2nccs2)c1-c1nnn[n-]1 ZINC001591302730 1349459001 /nfs/dbraw/zinc/45/90/01/1349459001.db2.gz ZSOWQFDSBDYYKC-UHFFFAOYSA-N -1 3 333.398 2.402 20 10 EECDHM COC(=O)c1cccc(CSc2nccs2)c1-c1nn[n-]n1 ZINC001591302730 1349459004 /nfs/dbraw/zinc/45/90/04/1349459004.db2.gz ZSOWQFDSBDYYKC-UHFFFAOYSA-N -1 3 333.398 2.402 20 10 EECDHM Cc1ccc([C@H](O)C[NH2+][C@H](C)c2cccc(-c3nn[n-]n3)c2[O-])cc1 ZINC001592199227 1349604804 /nfs/dbraw/zinc/60/48/04/1349604804.db2.gz LMVPDPBRSQQNQH-MLGOLLRUSA-N -1 3 339.399 2.265 20 10 EECDHM Oc1ccc(Br)cc1CNc1cc(-c2nnn[n-]2)ccn1 ZINC001593539153 1349836596 /nfs/dbraw/zinc/83/65/96/1349836596.db2.gz JVHWFSJJKKZBIK-UHFFFAOYSA-N -1 3 347.176 2.342 20 10 EECDHM Oc1ccc(Br)cc1CNc1cc(-c2nn[n-]n2)ccn1 ZINC001593539153 1349836599 /nfs/dbraw/zinc/83/65/99/1349836599.db2.gz JVHWFSJJKKZBIK-UHFFFAOYSA-N -1 3 347.176 2.342 20 10 EECDHM CC[C@H]([NH2+]C[C@H]1CCOC[C@H]1C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604055562 1350841657 /nfs/dbraw/zinc/84/16/57/1350841657.db2.gz NOSGMVMUVDZEEQ-JMSVASOKSA-N -1 3 331.420 2.286 20 10 EECDHM Cc1c([C@H](C)[NH2+][C@H](C)c2cccc(-c3nn[n-]n3)c2[O-])cnn1C ZINC001605483509 1351168792 /nfs/dbraw/zinc/16/87/92/1351168792.db2.gz FAPAJKUJLURBIX-ZJUUUORDSA-N -1 3 327.392 2.026 20 10 EECDHM O=C(CCn1cccn1)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001141845271 782507670 /nfs/dbraw/zinc/50/76/70/782507670.db2.gz JOZZEVUTFAFKRL-UHFFFAOYSA-N -1 3 330.775 2.497 20 10 EECDHM C[C@H]1CC[C@@H](C(N)=O)CN1Cc1cc(Br)cc(F)c1[O-] ZINC000893946803 780332763 /nfs/dbraw/zinc/33/27/63/780332763.db2.gz RAROZIXSJDJXDW-DTWKUNHWSA-N -1 3 345.212 2.380 20 10 EECDHM CNC(=O)[C@@H]1CCCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000894020047 780408969 /nfs/dbraw/zinc/40/89/69/780408969.db2.gz LHZXFBNJOXBNOJ-SECBINFHSA-N -1 3 345.212 2.252 20 10 EECDHM C[C@@H]1CN(Cc2c([O-])cccc2Br)C[C@@H](C)S1(=O)=O ZINC000707137964 786140803 /nfs/dbraw/zinc/14/08/03/786140803.db2.gz ADNOJMGLWLTHCC-NXEZZACHSA-N -1 3 348.262 2.162 20 10 EECDHM COc1ccc2c(c1)OC[C@@H](CNC(=O)c1cccc(O)c1[O-])C2 ZINC001148225952 792260734 /nfs/dbraw/zinc/26/07/34/792260734.db2.gz YVCAHHJOJWDQNH-LLVKDONJSA-N -1 3 329.352 2.088 20 10 EECDHM O=C(c1cc(O)c([O-])c(O)c1)N1CC[C@H]1COCc1ccccc1 ZINC001148584896 792569916 /nfs/dbraw/zinc/56/99/16/792569916.db2.gz ZDOHGUPLZXCZEP-AWEZNQCLSA-N -1 3 329.352 2.235 20 10 EECDHM O=C(NCc1ccc(OC(F)F)cc1)c1cc(O)c([O-])c(O)c1 ZINC001148590004 792574176 /nfs/dbraw/zinc/57/41/76/792574176.db2.gz UZWWYQYSSDIZAF-UHFFFAOYSA-N -1 3 325.267 2.335 20 10 EECDHM CC(=O)c1cc(F)cc(CN(C)Cc2ncnn2CC(F)F)c1[O-] ZINC000786216413 806726048 /nfs/dbraw/zinc/72/60/48/806726048.db2.gz KAGBXOAWSFXWMR-UHFFFAOYSA-N -1 3 342.321 2.223 20 10 EECDHM COC(=O)c1cc([O-])c(F)cc1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC001179687387 800037424 /nfs/dbraw/zinc/03/74/24/800037424.db2.gz KTJOJQSFSLUNPF-HWKANZROSA-N -1 3 347.298 2.381 20 10 EECDHM CC(=O)c1cc(F)cc(CN2CCC([C@H](O)c3ncc[nH]3)CC2)c1[O-] ZINC000788474986 807542625 /nfs/dbraw/zinc/54/26/25/807542625.db2.gz PTMZHQXEWHBORO-KRWDZBQOSA-N -1 3 347.390 2.403 20 10 EECDHM CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@@H](C)c3cc(C(=O)[O-])ccc3[O-])[C@@H]2C1 ZINC001589056396 985164101 /nfs/dbraw/zinc/16/41/01/985164101.db2.gz HEOWYCNMGWWTQZ-WPUCRFQZSA-N -1 3 346.427 2.388 20 10 EECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCc3ccccc32)c1 ZINC000055163546 214282186 /nfs/dbraw/zinc/28/21/86/214282186.db2.gz FDGCWNOCSDGADI-OAHLLOKOSA-N -1 3 346.408 2.181 20 10 EECDHM COc1cccc(CN2CCN(C(=O)c3ccccc3[O-])CC2)c1O ZINC000091924389 533482396 /nfs/dbraw/zinc/48/23/96/533482396.db2.gz RFBBXGOXLFGNIR-UHFFFAOYSA-N -1 3 342.395 2.064 20 10 EECDHM O=C(CN(Cc1ccccc1[O-])C[C@@H]1CCCO1)N1CCCCC1 ZINC000070975908 463398563 /nfs/dbraw/zinc/39/85/63/463398563.db2.gz CSSSFOUTKQMADC-KRWDZBQOSA-N -1 3 332.444 2.386 20 10 EECDHM CN1CCC(NC(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000277279119 463906655 /nfs/dbraw/zinc/90/66/55/463906655.db2.gz ATWLFOUTFRFNHD-UHFFFAOYSA-N -1 3 342.237 2.048 20 10 EECDHM C[C@@H]1C[C@H](N2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)CCO1 ZINC000277485933 463918989 /nfs/dbraw/zinc/91/89/89/463918989.db2.gz UPPXJOKLHVANKS-ZWNOBZJWSA-N -1 3 338.791 2.377 20 10 EECDHM C[C@H]1CN(Cc2cc(Br)ccc2[O-])CC[S@@](=O)C1 ZINC000277612914 463923643 /nfs/dbraw/zinc/92/36/43/463923643.db2.gz WNJDOUXCJXJJHJ-XTZNXHDOSA-N -1 3 332.263 2.355 20 10 EECDHM CC(=O)c1cc(F)cc(CN2CCCC[C@@H](S(C)(=O)=O)C2)c1[O-] ZINC000277764144 463930869 /nfs/dbraw/zinc/93/08/69/463930869.db2.gz MLJCJUOGGQSBME-CQSZACIVSA-N -1 3 343.420 2.133 20 10 EECDHM O=C(c1cccc(O)c1[O-])N1CCC(Oc2ncccc2F)CC1 ZINC000278454212 463966606 /nfs/dbraw/zinc/96/66/06/463966606.db2.gz XYEHCATXOJYWTR-UHFFFAOYSA-N -1 3 332.331 2.316 20 10 EECDHM Cn1ccnc1[C@]([O-])(C[NH2+]Cc1cccc(Cl)c1[O-])C(F)(F)F ZINC000271996613 464439901 /nfs/dbraw/zinc/43/99/01/464439901.db2.gz TVIFXUBKHUGBSR-CYBMUJFWSA-N -1 3 349.740 2.319 20 10 EECDHM CS[C@@H]1CN(Cc2cc(F)cc(C(C)=O)c2[O-])C[C@H]1N(C)C ZINC000272042990 464459304 /nfs/dbraw/zinc/45/93/04/464459304.db2.gz OZYMIEWTVYJONQ-HUUCEWRRSA-N -1 3 326.437 2.211 20 10 EECDHM COc1c([O-])c(CN(C)[C@H](CO)c2ccccc2)ccc1[N+](=O)[O-] ZINC000295078479 464697867 /nfs/dbraw/zinc/69/78/67/464697867.db2.gz QAHOHQSSTJRYSK-OAHLLOKOSA-N -1 3 332.356 2.474 20 10 EECDHM CC(=O)c1cc(F)cc(CN2CCN(C(=O)c3ccco3)CC2)c1[O-] ZINC000177254557 464971506 /nfs/dbraw/zinc/97/15/06/464971506.db2.gz QQZKATFNXKEYGU-UHFFFAOYSA-N -1 3 346.358 2.285 20 10 EECDHM COc1cc(Cl)cc(CN2CCC(N3CCNC3=O)CC2)c1[O-] ZINC000184670518 465015637 /nfs/dbraw/zinc/01/56/37/465015637.db2.gz RALDUCZDTJPKDR-UHFFFAOYSA-N -1 3 339.823 2.044 20 10 EECDHM Cc1ccc(C(=O)N2CCNC(=O)[C@@H]2c2ccccc2C)c([O-])c1O ZINC000368115276 466580077 /nfs/dbraw/zinc/58/00/77/466580077.db2.gz BGOSDTTVSZPNPJ-HNNXBMFYSA-N -1 3 340.379 2.028 20 10 EECDHM COc1cc(Cl)cc(CN2CC[C@@H](C)S(=O)(=O)CC2)c1[O-] ZINC000192050170 533952795 /nfs/dbraw/zinc/95/27/95/533952795.db2.gz LOYXSNDZVCLJHE-SNVBAGLBSA-N -1 3 333.837 2.063 20 10 EECDHM CCCOc1ccc(CN2CCS(=O)(=O)C[C@H](C)C2)c([O-])c1 ZINC000192067274 528663511 /nfs/dbraw/zinc/66/35/11/528663511.db2.gz LOGLEIBUIWVBDB-CYBMUJFWSA-N -1 3 327.446 2.048 20 10 EECDHM O=C(Nc1ccccc1CN1C(=O)CCC1=O)c1cc([O-])cs1 ZINC000732277072 577163564 /nfs/dbraw/zinc/16/35/64/577163564.db2.gz DKOLFTBXTYRBMX-UHFFFAOYSA-N -1 3 330.365 2.355 20 10 EECDHM CCn1nc(C)c(CNCc2ccc([N+](=O)[O-])c(OC)c2[O-])c1C ZINC000775002696 577426052 /nfs/dbraw/zinc/42/60/52/577426052.db2.gz JAANPYSRMWQUPB-UHFFFAOYSA-N -1 3 334.376 2.432 20 10 EECDHM CN1CCN(Cc2cc3c(cc2[O-])OC[C@@H]3O)[C@H](c2ccccc2)C1 ZINC000768439275 577555605 /nfs/dbraw/zinc/55/56/05/577555605.db2.gz JUOFXMOXWBYNOD-HKUYNNGSSA-N -1 3 340.423 2.307 20 10 EECDHM [O-]c1cc2c(cc1CN1CCO[C@H](c3ccccc3)C1)[C@@H](O)CO2 ZINC000768442671 577555735 /nfs/dbraw/zinc/55/57/35/577555735.db2.gz YQDKUGWTRKSXHO-HKUYNNGSSA-N -1 3 327.380 2.392 20 10 EECDHM O=C(NC[C@]1(CO)C[C@H]1c1ccc(F)cc1)c1cccc(O)c1[O-] ZINC000760592819 577666468 /nfs/dbraw/zinc/66/64/68/577666468.db2.gz UDDWEPYOPIVVRD-KSSFIOAISA-N -1 3 331.343 2.133 20 10 EECDHM C[C@@H](NCC(=O)NCc1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756477140 577844767 /nfs/dbraw/zinc/84/47/67/577844767.db2.gz XLFFZNLMWPLCIU-GFCCVEGCSA-N -1 3 329.356 2.267 20 10 EECDHM COc1ccc(Cl)c(NC(=S)NN=c2nc(OC)cc[n-]2)c1 ZINC000742982141 577878500 /nfs/dbraw/zinc/87/85/00/577878500.db2.gz MLPPWWDQJWWIOW-UHFFFAOYSA-N -1 3 339.808 2.461 20 10 EECDHM COc1ccc(O)c([C@H](C)NC(=O)c2sccc2-c2nnn[n-]2)c1 ZINC000737107034 578238338 /nfs/dbraw/zinc/23/83/38/578238338.db2.gz YZCWCFWOIXEHSS-QMMMGPOBSA-N -1 3 345.384 2.133 20 10 EECDHM COc1ccc(O)c([C@H](C)NC(=O)c2sccc2-c2nn[n-]n2)c1 ZINC000737107034 578238339 /nfs/dbraw/zinc/23/83/39/578238339.db2.gz YZCWCFWOIXEHSS-QMMMGPOBSA-N -1 3 345.384 2.133 20 10 EECDHM O=C1C(=Cc2ccc(-c3nnn[n-]3)s2)SC(=S)N1C1CC1 ZINC000823504482 606394687 /nfs/dbraw/zinc/39/46/87/606394687.db2.gz QRWBMFYOSBJWAN-UITAMQMPSA-N -1 3 335.439 2.292 20 10 EECDHM COCCOc1ccc(-c2nn[n-]n2)cc1NCc1ccccc1O ZINC000826162544 608135575 /nfs/dbraw/zinc/13/55/75/608135575.db2.gz HPBAKSRYJWRLID-UHFFFAOYSA-N -1 3 341.371 2.210 20 10 EECDHM Cn1cc([C@H]2C[S@](=O)CCN2Cc2cc(Cl)ccc2[O-])cn1 ZINC000895376352 684560264 /nfs/dbraw/zinc/56/02/64/684560264.db2.gz YDOHNTJEAYXMNG-JLCFBVMHSA-N -1 3 339.848 2.085 20 10 EECDHM O=C1OCC[C@]12CCCN2Cc1ccc(Br)cc1[O-] ZINC000825568139 1198376204 /nfs/dbraw/zinc/37/62/04/1198376204.db2.gz SLRXAAVPAMNTSQ-CQSZACIVSA-N -1 3 326.190 2.436 20 10 EECDHM CNC(=O)CNC(=O)c1cccc(NCc2c([O-])cccc2Cl)c1 ZINC000800312650 1234033352 /nfs/dbraw/zinc/03/33/52/1234033352.db2.gz MVFOCAVPDRMGAH-UHFFFAOYSA-N -1 3 347.802 2.134 20 10 EECDHM COC(=O)/C=C/c1cccc(S(=O)(=O)[N-]c2ccc(O)cc2)c1 ZINC001197066448 1284436449 /nfs/dbraw/zinc/43/64/49/1284436449.db2.gz HRLSOUWPSFXRKN-BJMVGYQFSA-N -1 3 333.365 2.379 20 10 EECDHM C[C@H]1CN(Cc2c([O-])cccc2Br)CC[S@@](=O)C1 ZINC000862347120 1295802129 /nfs/dbraw/zinc/80/21/29/1295802129.db2.gz NILZSVSHDHAPSY-XTZNXHDOSA-N -1 3 332.263 2.355 20 10 EECDHM [O-]c1cccc(Br)c1CN1CCN([C@@H]2CCOC2)CC1 ZINC000862413064 1295837182 /nfs/dbraw/zinc/83/71/82/1295837182.db2.gz HFQGGOWJLPKICE-GFCCVEGCSA-N -1 3 341.249 2.061 20 10 EECDHM Cc1nnc(CN[C@@H](C)c2ccc(Br)cc2[O-])n1C ZINC001321023571 1332999178 /nfs/dbraw/zinc/99/91/78/1332999178.db2.gz NQJRRFDDKYSCPB-QMMMGPOBSA-N -1 3 325.210 2.442 20 10 EECDHM COCC[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccc(C(=O)[O-])cc1[O-])C2 ZINC001231450140 1303799916 /nfs/dbraw/zinc/79/99/16/1303799916.db2.gz NGYLYBPKSCKEKK-KUHUBIRLSA-N -1 3 349.427 2.498 20 10 EECDHM COCC[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccc(C(=O)[O-])cc1[O-])C2 ZINC001231450140 1303799919 /nfs/dbraw/zinc/79/99/19/1303799919.db2.gz NGYLYBPKSCKEKK-KUHUBIRLSA-N -1 3 349.427 2.498 20 10 EECDHM COC(=O)N1CCCN(Cc2cc(Cl)c(OC)cc2[O-])CC1 ZINC001232265724 1304058808 /nfs/dbraw/zinc/05/88/08/1304058808.db2.gz FBYACXWOHWYBGJ-UHFFFAOYSA-N -1 3 328.796 2.328 20 10 EECDHM O=C1CCCN(Cc2ccc(I)cc2[O-])C1 ZINC001232978772 1304314965 /nfs/dbraw/zinc/31/49/65/1304314965.db2.gz NUXDNZIYXRZSCB-UHFFFAOYSA-N -1 3 331.153 2.162 20 10 EECDHM COC(=O)[C@H](C)N(C)Cc1cc(Br)c(OC)cc1[O-] ZINC001233140564 1304373369 /nfs/dbraw/zinc/37/33/69/1304373369.db2.gz MRHVPSOKFXYGCI-QMMMGPOBSA-N -1 3 332.194 2.157 20 10 EECDHM COc1cnc(O[C@@H]2CCN(Cc3c([O-])ccc(F)c3F)C2)nc1 ZINC001233336537 1304436404 /nfs/dbraw/zinc/43/64/04/1304436404.db2.gz PACVIBCZTZRITO-SNVBAGLBSA-N -1 3 337.326 2.122 20 10 EECDHM O=C1N[C@H]2CN(Cc3cccc(Br)c3[O-])CC[C@@H]2CO1 ZINC000843434226 1315914733 /nfs/dbraw/zinc/91/47/33/1315914733.db2.gz ACBYOGZSDUAYEW-PWSUYJOCSA-N -1 3 341.205 2.085 20 10 EECDHM CCOC(=O)CCN(CC(=O)OCC)Cc1c([O-])cccc1Cl ZINC001140344226 1314873428 /nfs/dbraw/zinc/87/34/28/1314873428.db2.gz GJPZNPUHGRZIHT-UHFFFAOYSA-N -1 3 343.807 2.364 20 10 EECDHM COCCOC1CN(Cc2cc(C)c(Br)cc2[O-])C1 ZINC001250135970 1317217725 /nfs/dbraw/zinc/21/77/25/1317217725.db2.gz MCBZNTWNZMAZOR-UHFFFAOYSA-N -1 3 330.222 2.310 20 10 EECDHM COC(=O)[C@H]1COCCC12CN(Cc1cc(Cl)ccc1[O-])C2 ZINC001203663711 1321935532 /nfs/dbraw/zinc/93/55/32/1321935532.db2.gz FAPIWXHUXUVEFX-CYBMUJFWSA-N -1 3 325.792 2.057 20 10 EECDHM COc1cc([O-])c(CN2CC3(CCN3Cc3cn[nH]c3)C2)cc1Cl ZINC001276620748 1324828158 /nfs/dbraw/zinc/82/81/58/1324828158.db2.gz LBFINQQNZGBWBG-UHFFFAOYSA-N -1 3 348.834 2.238 20 10 EECDHM C[C@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609777058 1352082716 /nfs/dbraw/zinc/08/27/16/1352082716.db2.gz KPXBCKWJMKGTFR-GXSJLCMTSA-N -1 3 332.322 2.378 20 10 EECDHM C[C@@H]([NH2+]C1CCN(C[C@H]2CCCO2)CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609780696 1352083498 /nfs/dbraw/zinc/08/34/98/1352083498.db2.gz UYZBWYIOWNJANT-CZUORRHYSA-N -1 3 348.443 2.384 20 10 EECDHM C[C@H]([NH2+][C@@H]1CCOC2(CCOCC2)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609778638 1352083515 /nfs/dbraw/zinc/08/35/15/1352083515.db2.gz NYASDJFZTNCIJE-GXTWGEPZSA-N -1 3 335.400 2.469 20 10 EECDHM C[C@@H]([NH2+]C[C@H](CO)C1CCCCC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589959964 1349081253 /nfs/dbraw/zinc/08/12/53/1349081253.db2.gz YEKPEUQAEQFJAS-TZMCWYRMSA-N -1 3 345.447 2.412 20 10 EECDHM C[C@H]([NH2+]C[C@H]1COc2ccccc21)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589964777 1349082960 /nfs/dbraw/zinc/08/29/60/1349082960.db2.gz SNTFBDYPGDFPGD-RYUDHWBXSA-N -1 3 337.383 2.399 20 10 EECDHM CC[C@@H]([NH2+]C[C@H](O)c1ccccc1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590463077 1349339263 /nfs/dbraw/zinc/33/92/63/1349339263.db2.gz GVJBBGKBWYNLEL-CVEARBPZSA-N -1 3 339.399 2.347 20 10 EECDHM Cc1cccc(C(=O)NCC[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])c1 ZINC001600511776 1350069727 /nfs/dbraw/zinc/06/97/27/1350069727.db2.gz AJEXLBXWRUTOQI-ZDUSSCGKSA-N -1 3 342.395 2.479 20 10 EECDHM C[C@@H]([NH2+]Cc1ccc2c(c1)COC2)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603668410 1350737988 /nfs/dbraw/zinc/73/79/88/1350737988.db2.gz VIMUIAKFTDGPOV-LLVKDONJSA-N -1 3 337.383 2.453 20 10 EECDHM CC[C@@H]([NH2+]CC1(C2(O)CCC2)CC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604055326 1350841688 /nfs/dbraw/zinc/84/16/88/1350841688.db2.gz MGISQVWYHWDIDF-CQSZACIVSA-N -1 3 343.431 2.308 20 10 EECDHM O=C(CCSc1nccs1)Nc1cccc(-c2nnn[n-]2)c1 ZINC001606526321 1351316842 /nfs/dbraw/zinc/31/68/42/1351316842.db2.gz RKNLLUWJYKLUDC-UHFFFAOYSA-N -1 3 332.414 2.444 20 10 EECDHM O=C(CCSc1nccs1)Nc1cccc(-c2nn[n-]n2)c1 ZINC001606526321 1351316844 /nfs/dbraw/zinc/31/68/44/1351316844.db2.gz RKNLLUWJYKLUDC-UHFFFAOYSA-N -1 3 332.414 2.444 20 10 EECDHM COc1ccccc1NC(=S)NNc1ccc(-c2nn[n-]n2)cc1 ZINC001591651053 1403935665 /nfs/dbraw/zinc/93/56/65/1403935665.db2.gz ROFNUXPLKUIAEF-UHFFFAOYSA-N -1 3 341.400 2.189 20 10 EECDHM COC(=O)[C@@H]1C[C@H](F)CN1Cc1c([O-])cccc1Br ZINC001140098922 757553941 /nfs/dbraw/zinc/55/39/41/757553941.db2.gz SQLVSXULPQYEHP-KWQFWETISA-N -1 3 332.169 2.240 20 10 EECDHM Cc1cc(Br)c([O-])c(CN2CCNC(=O)C[C@@H]2C)c1 ZINC000809764262 783369599 /nfs/dbraw/zinc/36/95/99/783369599.db2.gz HQZBVMWKWPFODA-JTQLQIEISA-N -1 3 327.222 2.174 20 10 EECDHM COCCNC(=O)C1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816483982 784043959 /nfs/dbraw/zinc/04/39/59/784043959.db2.gz MCFHUCFYWKSCCG-UHFFFAOYSA-N -1 3 344.814 2.159 20 10 EECDHM [O-]c1cc(F)c(Cl)cc1CN1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000816502556 784072671 /nfs/dbraw/zinc/07/26/71/784072671.db2.gz GRESXXGILQOREU-LSDHHAIUSA-N -1 3 328.815 2.216 20 10 EECDHM Cc1cc([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)c(C)c(C)c1O ZINC000187059209 788531084 /nfs/dbraw/zinc/53/10/84/788531084.db2.gz DKJRKYPGYBOAPH-UHFFFAOYSA-N -1 3 347.396 2.288 20 10 EECDHM [O-]c1cc(Br)ccc1CN1CCOC[C@@H]1c1ncon1 ZINC000825461865 788642281 /nfs/dbraw/zinc/64/22/81/788642281.db2.gz QTMYJDMPASASEL-LLVKDONJSA-N -1 3 340.177 2.111 20 10 EECDHM Cc1[nH]c(=O)c(CNC(=O)c2cc(O)c([O-])c(O)c2)c2c1CCCC2 ZINC001148589972 792574538 /nfs/dbraw/zinc/57/45/38/792574538.db2.gz SZOCSLRUKWGTEL-UHFFFAOYSA-N -1 3 344.367 2.021 20 10 EECDHM [O-]c1ccc(Cl)c(F)c1CN1CCN(C[C@H]2CCCO2)CC1 ZINC000792157366 809619818 /nfs/dbraw/zinc/61/98/18/809619818.db2.gz VLOPZVNETVWZED-GFCCVEGCSA-N -1 3 328.815 2.481 20 10 EECDHM CN(C)c1ccc(CN2CCC[C@@H](O)[C@@H]2C(=O)[O-])c(C(F)(F)F)c1 ZINC001598317565 991305219 /nfs/dbraw/zinc/30/52/19/991305219.db2.gz IMZHREQGLTUPQE-ZIAGYGMSSA-N -1 3 346.349 2.181 20 10 EECDHM COc1ccc(O)c(CN[C@H](C(=O)[O-])c2ccc(OC)c(O)c2)c1 ZINC001599598252 993778277 /nfs/dbraw/zinc/77/82/77/993778277.db2.gz JHBQKFYFCLWMQZ-INIZCTEOSA-N -1 3 333.340 2.031 20 10 EECDHM C[C@@H]([NH2+]CC(C)(C)[C@]1(O)CCCOC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593240920 994433192 /nfs/dbraw/zinc/43/31/92/994433192.db2.gz UNEUGAJDOMRYKJ-XIKOKIGWSA-N -1 3 337.416 2.309 20 10 EECDHM C[C@H]([NH2+]CC(C)(C)[C@@]1(O)CCCOC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593240917 994433261 /nfs/dbraw/zinc/43/32/61/994433261.db2.gz UNEUGAJDOMRYKJ-KPZWWZAWSA-N -1 3 337.416 2.309 20 10 EECDHM CC(C)[C@@H](C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-])N1CCN(C)CC1 ZINC001593241275 994437499 /nfs/dbraw/zinc/43/74/99/994437499.db2.gz ZBALFCIXOYISAB-WMLDXEAASA-N -1 3 349.475 2.013 20 10 EECDHM C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)CN(C)Cc1ccccc1[O-] ZINC000109773430 237131340 /nfs/dbraw/zinc/13/13/40/237131340.db2.gz RTRDFCJYHSMNKS-ZFWWWQNUSA-N -1 3 333.432 2.229 20 10 EECDHM CCNC(=O)CN(CC)Cc1cc(Br)cc(C)c1[O-] ZINC000124517987 463432114 /nfs/dbraw/zinc/43/21/14/463432114.db2.gz RGQRHLNFBHIUOD-UHFFFAOYSA-N -1 3 329.238 2.421 20 10 EECDHM CC(=O)c1cc(F)cc(CN2CC[C@H](C(=O)N3CCCC3)C2)c1[O-] ZINC000287496611 463905333 /nfs/dbraw/zinc/90/53/33/463905333.db2.gz SZYRZIVCQQGNDB-ZDUSSCGKSA-N -1 3 334.391 2.178 20 10 EECDHM CN(C[C@H]1CCCN(Cc2c([O-])cccc2Cl)C1)S(C)(=O)=O ZINC000289353172 464076005 /nfs/dbraw/zinc/07/60/05/464076005.db2.gz JKJILQFBPIIIHY-GFCCVEGCSA-N -1 3 346.880 2.149 20 10 EECDHM CCC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000187048781 464093308 /nfs/dbraw/zinc/09/33/08/464093308.db2.gz GCQHFNXDJAYHTD-STQMWFEESA-N -1 3 334.416 2.255 20 10 EECDHM O=C(NCc1cccc(Br)c1[O-])[C@H]1CCCN1C1CC1 ZINC000279385532 464096107 /nfs/dbraw/zinc/09/61/07/464096107.db2.gz ZBAJJUPGXSZHEM-CYBMUJFWSA-N -1 3 339.233 2.398 20 10 EECDHM CCCOc1ccc(CN2CCC(O)(C(=O)OCC)CC2)c([O-])c1 ZINC000271207742 464288589 /nfs/dbraw/zinc/28/85/89/464288589.db2.gz SREYDNLTRLIFID-UHFFFAOYSA-N -1 3 337.416 2.071 20 10 EECDHM CSc1nnc(NC(=O)C=Cc2ccc(N3CCOCC3)cc2)[n-]1 ZINC000264552851 464370216 /nfs/dbraw/zinc/37/02/16/464370216.db2.gz LWEBKQUUGQPEPP-QPJJXVBHSA-N -1 3 345.428 2.015 20 10 EECDHM CSc1n[n-]c(NC(=O)C=Cc2ccc(N3CCOCC3)cc2)n1 ZINC000264552851 464370221 /nfs/dbraw/zinc/37/02/21/464370221.db2.gz LWEBKQUUGQPEPP-QPJJXVBHSA-N -1 3 345.428 2.015 20 10 EECDHM CSc1nc(NC(=O)C=Cc2ccc(N3CCOCC3)cc2)n[n-]1 ZINC000264552851 464370227 /nfs/dbraw/zinc/37/02/27/464370227.db2.gz LWEBKQUUGQPEPP-QPJJXVBHSA-N -1 3 345.428 2.015 20 10 EECDHM Cc1ccc(C(=O)NCC[C@H]2C(=O)Nc3ccccc32)c([O-])c1O ZINC000181785756 464527883 /nfs/dbraw/zinc/52/78/83/464527883.db2.gz BZSYRSHEVPFFKD-GFCCVEGCSA-N -1 3 326.352 2.262 20 10 EECDHM COCc1noc(CN(Cc2ccccc2[O-])C[C@H]2CCCO2)n1 ZINC000182650824 464701572 /nfs/dbraw/zinc/70/15/72/464701572.db2.gz AIEPHTZAIYDDIF-CQSZACIVSA-N -1 3 333.388 2.103 20 10 EECDHM CC[C@@H](N[C@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(F)cc1[O-] ZINC000285992134 464765973 /nfs/dbraw/zinc/76/59/73/464765973.db2.gz HAZBQJGZRJRXJZ-CABCVRRESA-N -1 3 332.379 2.111 20 10 EECDHM CC(=O)c1cc(F)cc(CN2CCCN(C(=O)C(C)C)CC2)c1[O-] ZINC000177285591 464978432 /nfs/dbraw/zinc/97/84/32/464978432.db2.gz MEHYKCLHBAXUDP-UHFFFAOYSA-N -1 3 336.407 2.424 20 10 EECDHM COc1cc(Cl)cc(CN2CCC[C@H](N3CCNC3=O)C2)c1[O-] ZINC000363933437 466659700 /nfs/dbraw/zinc/65/97/00/466659700.db2.gz UCOVEENUPFPSQY-ZDUSSCGKSA-N -1 3 339.823 2.044 20 10 EECDHM COc1c([O-])c(CN2CC[C@@H](Oc3ccncc3)C2)ccc1[N+](=O)[O-] ZINC000366054546 467042411 /nfs/dbraw/zinc/04/24/11/467042411.db2.gz XBYRQLCZBAUOLG-CQSZACIVSA-N -1 3 345.355 2.357 20 10 EECDHM [O-]c1c(F)cc(Cl)cc1CN1CCN(C2CCOCC2)CC1 ZINC000775712170 577443411 /nfs/dbraw/zinc/44/34/11/577443411.db2.gz FAZATRRMTSTTHW-UHFFFAOYSA-N -1 3 328.815 2.481 20 10 EECDHM Cc1ccccc1N1CCN(Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000768443029 577555715 /nfs/dbraw/zinc/55/57/15/577555715.db2.gz XBLBVOJNTGBLEV-IBGZPJMESA-N -1 3 340.423 2.449 20 10 EECDHM [O-]c1cc2c(cc1CN1CCO[C@@H](c3ccccc3)C1)[C@H](O)CO2 ZINC000768442672 577555797 /nfs/dbraw/zinc/55/57/97/577555797.db2.gz YQDKUGWTRKSXHO-IEBWSBKVSA-N -1 3 327.380 2.392 20 10 EECDHM COC(=O)[C@H](NC(=O)c1ccc(C)c(O)c1[O-])c1ccccc1F ZINC000770506994 577597677 /nfs/dbraw/zinc/59/76/77/577597677.db2.gz UPCIQLKVZUYINQ-CYBMUJFWSA-N -1 3 333.315 2.189 20 10 EECDHM CC(=O)c1cc(F)cc(CN2C[C@H](CO)Oc3ccccc32)c1[O-] ZINC000759741056 577649234 /nfs/dbraw/zinc/64/92/34/577649234.db2.gz KTJBNNIMIQVCIG-CQSZACIVSA-N -1 3 331.343 2.494 20 10 EECDHM C[C@@]1(CN2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)CCCO1 ZINC000761268362 577680820 /nfs/dbraw/zinc/68/08/20/577680820.db2.gz MVWYKFWQIPPCET-INIZCTEOSA-N -1 3 338.791 2.379 20 10 EECDHM O=C(N[C@H]1CCCN(Cc2ccccc2)C1=O)c1cc([O-])cs1 ZINC000762333904 577699408 /nfs/dbraw/zinc/69/94/08/577699408.db2.gz YVWAAVYUWSPKQS-AWEZNQCLSA-N -1 3 330.409 2.375 20 10 EECDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2cccc(C(N)=O)c2)c1 ZINC000756376186 577842877 /nfs/dbraw/zinc/84/28/77/577842877.db2.gz DUTMHHOBKVEVOQ-NSHDSACASA-N -1 3 328.368 2.129 20 10 EECDHM CC(C)(C)OC(=O)[C@@H]1CN(Cc2c([O-])ccc3ccncc32)CCO1 ZINC000747466059 577944875 /nfs/dbraw/zinc/94/48/75/577944875.db2.gz JBSSMUAKJDZZQE-KRWDZBQOSA-N -1 3 344.411 2.483 20 10 EECDHM COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737105432 578238237 /nfs/dbraw/zinc/23/82/37/578238237.db2.gz GDQGENIFEKQTFU-SNVBAGLBSA-N -1 3 339.355 2.072 20 10 EECDHM COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737105432 578238238 /nfs/dbraw/zinc/23/82/38/578238238.db2.gz GDQGENIFEKQTFU-SNVBAGLBSA-N -1 3 339.355 2.072 20 10 EECDHM CN(Cc1ccc(N2CCOCC2)cc1)[C@H](C(=O)[O-])c1cccnc1 ZINC000833695142 605041660 /nfs/dbraw/zinc/04/16/60/605041660.db2.gz IRFFIJALYKIHDP-SFHVURJKSA-N -1 3 341.411 2.176 20 10 EECDHM CC[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)c1cccc(O)c1[O-] ZINC001269687691 1184522207 /nfs/dbraw/zinc/52/22/07/1184522207.db2.gz ZBAYNRISJWILGM-IACUBPJLSA-N -1 3 332.400 2.102 20 10 EECDHM CCN1CCCN(Cc2ccc(Br)cc2[O-])CC1=O ZINC000825652516 1198495241 /nfs/dbraw/zinc/49/52/41/1198495241.db2.gz TWZHKBFLHDPPFL-UHFFFAOYSA-N -1 3 327.222 2.209 20 10 EECDHM C[C@@H]1CCN(Cc2ccc(Br)cc2[O-])CCS1(=O)=O ZINC000825697774 1198702982 /nfs/dbraw/zinc/70/29/82/1198702982.db2.gz JMSNANDTOGILBN-SNVBAGLBSA-N -1 3 348.262 2.164 20 10 EECDHM CC(C)NC(=O)OC1CN(Cc2ccc(Br)cc2[O-])C1 ZINC000826114418 1201177881 /nfs/dbraw/zinc/17/78/81/1201177881.db2.gz ZDLAUYVGVCIYOL-UHFFFAOYSA-N -1 3 343.221 2.474 20 10 EECDHM COc1ccnc(N2CCN(Cc3cc(Cl)ccc3[O-])CC2)n1 ZINC000129591746 1201850610 /nfs/dbraw/zinc/85/06/10/1201850610.db2.gz CZNYQNIMFNYFKZ-UHFFFAOYSA-N -1 3 334.807 2.166 20 10 EECDHM [O-]c1cc(F)c(F)cc1CN1C[C@@H]2COC[C@H](C1)N2Cc1ccc[nH]1 ZINC001275774192 1205521038 /nfs/dbraw/zinc/52/10/38/1205521038.db2.gz OSXKJOWXGGMLPE-GASCZTMLSA-N -1 3 349.381 2.084 20 10 EECDHM COc1ccc(S(=O)(=O)[N-]c2cccc(N3CCOCC3)c2)cc1 ZINC000041374233 1208282892 /nfs/dbraw/zinc/28/28/92/1208282892.db2.gz AISDXKRMVIRDNZ-UHFFFAOYSA-N -1 3 348.424 2.333 20 10 EECDHM COC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)c1cccc(O)c1[O-] ZINC000803567529 1240794414 /nfs/dbraw/zinc/79/44/14/1240794414.db2.gz GJTXBZRXARTSSD-GFCCVEGCSA-N -1 3 329.352 2.302 20 10 EECDHM O=C(c1ccccc1)c1ccc([O-])c(O)c1O[C@H]1CCCOC1=O ZINC001227937372 1302015198 /nfs/dbraw/zinc/01/51/98/1302015198.db2.gz JFMTYYAAVFZMDW-AWEZNQCLSA-N -1 3 328.320 2.413 20 10 EECDHM CC(=O)N(C(C)C)C1CC[NH+](Cc2ccc(C(=O)[O-])cc2[O-])CC1 ZINC001231455089 1303803773 /nfs/dbraw/zinc/80/37/73/1303803773.db2.gz WCAADSXASWHBKB-UHFFFAOYSA-N -1 3 334.416 2.312 20 10 EECDHM COc1cc([O-])c(CN2CCN(c3nccc(C)n3)CC2)cc1Cl ZINC001232270619 1304060599 /nfs/dbraw/zinc/06/05/99/1304060599.db2.gz IBRGYEJTVZJFTG-UHFFFAOYSA-N -1 3 348.834 2.475 20 10 EECDHM C[C@@H]1CN(Cc2ccc(I)cc2[O-])CC[C@H]1O ZINC001232974838 1304313388 /nfs/dbraw/zinc/31/33/88/1304313388.db2.gz SEVYOKFHXTZCCU-BXKDBHETSA-N -1 3 347.196 2.200 20 10 EECDHM [O-]c1cc(I)ccc1CN1CCC(CO)CC1 ZINC001232975473 1304313670 /nfs/dbraw/zinc/31/36/70/1304313670.db2.gz DGKXTIYOXQVLQE-UHFFFAOYSA-N -1 3 347.196 2.201 20 10 EECDHM O=C1NCC[C@]12CCN(Cc1c([O-])cc(Br)cc1F)C2 ZINC001233027953 1304334430 /nfs/dbraw/zinc/33/44/30/1304334430.db2.gz GUOBOGBHGRIHLI-CQSZACIVSA-N -1 3 343.196 2.006 20 10 EECDHM O=C(C1CC1)N1CCN(Cc2ccc(C(F)(F)F)cc2[O-])CC1 ZINC001233454210 1304469852 /nfs/dbraw/zinc/46/98/52/1304469852.db2.gz LGAWXGJNQGCOMZ-UHFFFAOYSA-N -1 3 328.334 2.465 20 10 EECDHM COc1cc([O-])c(CN2CCc3c(ncnc3OC)C2)c(Cl)c1 ZINC001236803387 1305682231 /nfs/dbraw/zinc/68/22/31/1305682231.db2.gz NGERKVVIPSNQNO-UHFFFAOYSA-N -1 3 335.791 2.411 20 10 EECDHM COc1cc([O-])c(CN2CCC3(C2)OCCO3)c(Br)c1 ZINC001237058567 1305780166 /nfs/dbraw/zinc/78/01/66/1305780166.db2.gz GOBSYULQXAGYTO-UHFFFAOYSA-N -1 3 344.205 2.112 20 10 EECDHM CN(C)C(=O)[C@@H]1C[C@@H]2[C@@H](CCN2Cc2cc(F)c(Cl)cc2[O-])O1 ZINC001237938684 1306155443 /nfs/dbraw/zinc/15/54/43/1306155443.db2.gz MTQZTKVDUBGWCS-YUELXQCFSA-N -1 3 342.798 2.005 20 10 EECDHM COC(=O)[C@@H]1COCCC12CN(Cc1ccc(Cl)cc1[O-])C2 ZINC001140464865 1314892246 /nfs/dbraw/zinc/89/22/46/1314892246.db2.gz 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MZYCYFJTLSVOMY-UHFFFAOYSA-N -1 3 333.169 2.457 20 10 EECDHM [O-]c1ccc(F)cc1CN1CCCn2c(Cn3cccc3)nnc2C1 ZINC001140054198 1314805745 /nfs/dbraw/zinc/80/57/45/1314805745.db2.gz LOPKOOHYYRHRQN-UHFFFAOYSA-N -1 3 341.390 2.379 20 10 EECDHM CCOC(=O)CCN(CC(=O)OCC)Cc1ccc(Cl)cc1[O-] ZINC001140466259 1314892500 /nfs/dbraw/zinc/89/25/00/1314892500.db2.gz DBDVZWUEAXXQQU-UHFFFAOYSA-N -1 3 343.807 2.364 20 10 EECDHM CCOc1ccc(N2CCN(C(=O)c3ccc(O)cc3[O-])CC2)cc1 ZINC001325091452 1333827635 /nfs/dbraw/zinc/82/76/35/1333827635.db2.gz LPJWKYFIPCARBB-UHFFFAOYSA-N -1 3 342.395 2.459 20 10 EECDHM CCCN(Cc1ccccc1O)C(=O)c1cc(-c2nn[n-]n2)[nH]c1C ZINC001609214444 1351895446 /nfs/dbraw/zinc/89/54/46/1351895446.db2.gz HKTJIQPEWPWLDN-UHFFFAOYSA-N -1 3 340.387 2.261 20 10 EECDHM Cc1ccc(-c2nnn[n-]2)c(N[C@H](C)Cc2ccc(O)c(O)c2)n1 ZINC001609414570 1351967665 /nfs/dbraw/zinc/96/76/65/1351967665.db2.gz OGRPJIZMIHHEGZ-SNVBAGLBSA-N -1 3 326.360 2.024 20 10 EECDHM Cc1ccc(-c2nn[n-]n2)c(N[C@H](C)Cc2ccc(O)c(O)c2)n1 ZINC001609414570 1351967667 /nfs/dbraw/zinc/96/76/67/1351967667.db2.gz OGRPJIZMIHHEGZ-SNVBAGLBSA-N -1 3 326.360 2.024 20 10 EECDHM COC[C@@H]1CN(Cc2c(O)c(C(=O)[O-])cc3ccccc32)C[C@@H](C)O1 ZINC001610254544 1352195207 /nfs/dbraw/zinc/19/52/07/1352195207.db2.gz VCJNMFRBOCFTFN-OCCSQVGLSA-N -1 3 345.395 2.479 20 10 EECDHM CC[C@@H]([NH2+]Cc1cnn(CC)c1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590467631 1349343065 /nfs/dbraw/zinc/34/30/65/1349343065.db2.gz ADOOKMGNTVCFCI-CQSZACIVSA-N -1 3 327.392 2.030 20 10 EECDHM Cc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)c(F)cc2C)c(O)c1O ZINC001591988319 1349579786 /nfs/dbraw/zinc/57/97/86/1349579786.db2.gz ZUXJWKIUHRPPSL-UHFFFAOYSA-N -1 3 343.318 2.286 20 10 EECDHM Cc1cccc([C@H](O)C[NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2[O-])c1 ZINC001605907950 1351251351 /nfs/dbraw/zinc/25/13/51/1351251351.db2.gz RYNRIUVHOUCOLD-BLLLJJGKSA-N -1 3 339.399 2.265 20 10 EECDHM Cc1ccc(C(=O)Nc2ccc(F)c(C(=O)N(C)C)c2)c([O-])c1O ZINC000182579826 779275773 /nfs/dbraw/zinc/27/57/73/779275773.db2.gz BODRWIAIAKHBMN-UHFFFAOYSA-N -1 3 332.331 2.499 20 10 EECDHM CC(C)OC[C@H](CO)N(C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000809768055 783339416 /nfs/dbraw/zinc/33/94/16/783339416.db2.gz BCHLXAVBIJISIB-LBPRGKRZSA-N -1 3 332.784 2.172 20 10 EECDHM C[C@@H]1CN(Cc2c([O-])cccc2Br)C[C@H](C)S1(=O)=O ZINC000707137950 786140705 /nfs/dbraw/zinc/14/07/05/786140705.db2.gz ADNOJMGLWLTHCC-AOOOYVTPSA-N -1 3 348.262 2.162 20 10 EECDHM [O-]c1cc(Br)ccc1CN1CCN(c2ncccn2)CC1 ZINC000824491522 788189973 /nfs/dbraw/zinc/18/99/73/788189973.db2.gz TXERCGGTTYVZEW-UHFFFAOYSA-N -1 3 349.232 2.267 20 10 EECDHM CCCC1(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000150891129 788310259 /nfs/dbraw/zinc/31/02/59/788310259.db2.gz HGMOVBQVLMOKGE-UHFFFAOYSA-N -1 3 326.418 2.074 20 10 EECDHM COc1cccc(OC2CCN(C(=O)c3cccc(O)c3[O-])CC2)n1 ZINC001148218386 792251822 /nfs/dbraw/zinc/25/18/22/792251822.db2.gz BAABXDOBSSEPEW-UHFFFAOYSA-N -1 3 344.367 2.185 20 10 EECDHM C[C@H](NCc1nnc2n1CCOC2)c1cccc(C(F)(F)F)c1[O-] ZINC000788781512 807696848 /nfs/dbraw/zinc/69/68/48/807696848.db2.gz GXLNSVOHIMJGMU-VIFPVBQESA-N -1 3 342.321 2.384 20 10 EECDHM CN(C)[C@H](CNC(=O)c1c(F)ccc(O)c1[O-])c1cccc(F)c1 ZINC000789946219 808287598 /nfs/dbraw/zinc/28/75/98/808287598.db2.gz ACMUKTLZUPQWRZ-CYBMUJFWSA-N -1 3 336.338 2.409 20 10 EECDHM COC(=O)Nc1ccc(CCNC(=O)c2cccc(O)c2[O-])cc1 ZINC000790754242 808886072 /nfs/dbraw/zinc/88/60/72/808886072.db2.gz HOHDDOSMEKYFJU-UHFFFAOYSA-N -1 3 330.340 2.249 20 10 EECDHM C[C@@H]1CN(CC(C)(C)O)CCN1Cc1c([O-])ccc(Cl)c1F ZINC000792179125 809639766 /nfs/dbraw/zinc/63/97/66/809639766.db2.gz IAFOKJFGCDUCDL-LLVKDONJSA-N -1 3 330.831 2.462 20 10 EECDHM C[C@H]1[C@H](C)S(=O)(=O)CCN1Cc1cc(Br)ccc1[O-] ZINC000093559177 291302437 /nfs/dbraw/zinc/30/24/37/291302437.db2.gz RRWDYPSFFPWXKW-UWVGGRQHSA-N -1 3 348.262 2.162 20 10 EECDHM CC(=O)c1cc(F)cc(CN2CCC[C@H]2CN2CCOCC2)c1[O-] ZINC000079465134 463218315 /nfs/dbraw/zinc/21/83/15/463218315.db2.gz GCEZUXSYHTZIDZ-INIZCTEOSA-N -1 3 336.407 2.031 20 10 EECDHM Cc1cc(Br)cc(CN2CCCS(=O)(=O)CC2)c1[O-] ZINC000224472849 464151347 /nfs/dbraw/zinc/15/13/47/464151347.db2.gz XZSXJLMAKPNZOI-UHFFFAOYSA-N -1 3 348.262 2.084 20 10 EECDHM Cc1ccc(C(=O)N2CCN(Cc3cccc(O)c3)CC2)c([O-])c1O ZINC000179537794 464153746 /nfs/dbraw/zinc/15/37/46/464153746.db2.gz NIMLUXNMLQBIAD-UHFFFAOYSA-N -1 3 342.395 2.070 20 10 EECDHM C[C@@H]1CN(c2ccc(NC(=O)c3cccc(O)c3[O-])cn2)C[C@@H](C)O1 ZINC000280212764 464192710 /nfs/dbraw/zinc/19/27/10/464192710.db2.gz QFUHNNQIMUMQJB-VXGBXAGGSA-N -1 3 343.383 2.359 20 10 EECDHM COCCN(CC(=O)OC)Cc1cc(Br)cc(C)c1[O-] ZINC000180253857 464274249 /nfs/dbraw/zinc/27/42/49/464274249.db2.gz NHXOGGWJMXXSPA-UHFFFAOYSA-N -1 3 346.221 2.085 20 10 EECDHM CCOC(=O)[C@H](F)C1CN(Cc2cc(Br)ccc2[O-])C1 ZINC000293861712 464422988 /nfs/dbraw/zinc/42/29/88/464422988.db2.gz IIBPROJDSWPGFH-CYBMUJFWSA-N -1 3 346.196 2.488 20 10 EECDHM C[C@H](NCc1cc(Cl)cc([N+](=O)[O-])c1[O-])C(=O)N1CCCC1 ZINC000281416000 464447533 /nfs/dbraw/zinc/44/75/33/464447533.db2.gz QOOPHAPWSPOJNF-VIFPVBQESA-N -1 3 327.768 2.054 20 10 EECDHM C[C@@H]1C(=O)NCCN1Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000183025148 464779527 /nfs/dbraw/zinc/77/95/27/464779527.db2.gz IAKIRMHVBDXTBK-CQSZACIVSA-N -1 3 326.396 2.292 20 10 EECDHM O=c1cc(CN(Cc2ccccc2[O-])C[C@H]2CCCO2)occ1O ZINC000268093552 464950403 /nfs/dbraw/zinc/95/04/03/464950403.db2.gz LNLOOROXARNNHG-CQSZACIVSA-N -1 3 331.368 2.232 20 10 EECDHM CC(=O)c1cc(F)cc(CN2CCC[C@H](C(=O)NCC3CC3)C2)c1[O-] ZINC000177258099 464971198 /nfs/dbraw/zinc/97/11/98/464971198.db2.gz WSRSTDPYBUAFJV-AWEZNQCLSA-N -1 3 348.418 2.472 20 10 EECDHM COc1cc(Cl)cc(CN2CCS(=O)(=O)[C@H](C)[C@H]2C)c1[O-] ZINC000184696463 465019389 /nfs/dbraw/zinc/01/93/89/465019389.db2.gz MJYWHLGUUJNRRO-NXEZZACHSA-N -1 3 333.837 2.062 20 10 EECDHM C[C@H]1C[C@H](N2CCOCC2)CN1Cc1c([O-])ccc(Cl)c1F ZINC000367690611 466495669 /nfs/dbraw/zinc/49/56/69/466495669.db2.gz UNZZJCFCVPIKKJ-RYUDHWBXSA-N -1 3 328.815 2.480 20 10 EECDHM NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1cc(Br)ccc1[O-] ZINC000368962734 466708346 /nfs/dbraw/zinc/70/83/46/466708346.db2.gz CURLTWJFVIGODF-BHYNMZESSA-N -1 3 339.233 2.241 20 10 EECDHM O=C1[C@H](NCc2cc([N+](=O)[O-])ccc2[O-])CCN1Cc1ccccc1 ZINC000373990487 534842809 /nfs/dbraw/zinc/84/28/09/534842809.db2.gz AIOVEBGCMLFXPL-MRXNPFEDSA-N -1 3 341.367 2.191 20 10 EECDHM COc1ccc(O)c([C@@H](C)NC(=O)c2cc3c(cc2[O-])OCO3)c1 ZINC000729534744 576663267 /nfs/dbraw/zinc/66/32/67/576663267.db2.gz CKWNHIPMRLNOHB-SECBINFHSA-N -1 3 331.324 2.326 20 10 EECDHM COc1c([O-])c(CN[C@H](CO)c2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000775016812 577426459 /nfs/dbraw/zinc/42/64/59/577426459.db2.gz XGGPQRUGIUOKAK-CYBMUJFWSA-N -1 3 336.319 2.271 20 10 EECDHM C[C@H](NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1ccc(N(C)C)cc1 ZINC000775401991 577436688 /nfs/dbraw/zinc/43/66/88/577436688.db2.gz AGPIIDNJTYGGBQ-NSHDSACASA-N -1 3 337.379 2.127 20 10 EECDHM CCOC(=O)[C@H]1CSCCN1Cc1ccc(OCC)cc1[O-] ZINC000768228927 577552468 /nfs/dbraw/zinc/55/24/68/577552468.db2.gz MLSWPXNDMMMWOQ-CQSZACIVSA-N -1 3 325.430 2.271 20 10 EECDHM [O-]c1cc2c(cc1CN1CCN(c3cccs3)CC1)[C@@H](O)CO2 ZINC000768464214 577556373 /nfs/dbraw/zinc/55/63/73/577556373.db2.gz OMDLONQQWAJFOW-HNNXBMFYSA-N -1 3 332.425 2.202 20 10 EECDHM O=C(c1cc([O-])cs1)N1CCOC[C@H]1C[C@@H](O)c1cccs1 ZINC000769187170 577572014 /nfs/dbraw/zinc/57/20/14/577572014.db2.gz HBBRMCPBFLUEEX-ZYHUDNBSSA-N -1 3 339.438 2.480 20 10 EECDHM CCOc1ccc(CN(C)[C@H](COC(C)C)C(=O)OC)c([O-])c1 ZINC000770356366 577594533 /nfs/dbraw/zinc/59/45/33/577594533.db2.gz UYRROOSBYWCUFK-OAHLLOKOSA-N -1 3 325.405 2.189 20 10 EECDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1CCOC1CCC1 ZINC000761359943 577682614 /nfs/dbraw/zinc/68/26/14/577682614.db2.gz VMFOMJUHHPXLGZ-UHFFFAOYSA-N -1 3 338.791 2.379 20 10 EECDHM CC(C)(C)OC(=O)NC[C@H](NC(=O)c1cc([O-])cs1)C1CC1 ZINC000741297676 578116440 /nfs/dbraw/zinc/11/64/40/578116440.db2.gz NOIUOGUVCRAFGH-NSHDSACASA-N -1 3 326.418 2.487 20 10 EECDHM Cc1cc(C(=O)N[C@H]2C[C@H]2C)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000737233382 578244782 /nfs/dbraw/zinc/24/47/82/578244782.db2.gz CCYKDDYPRJWGRY-HWPZZCPQSA-N -1 3 336.399 2.412 20 10 EECDHM Cc1cc(C(=O)N[C@H]2C[C@H]2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737233382 578244783 /nfs/dbraw/zinc/24/47/83/578244783.db2.gz CCYKDDYPRJWGRY-HWPZZCPQSA-N -1 3 336.399 2.412 20 10 EECDHM COc1ccc(N(C)C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000821827674 606912411 /nfs/dbraw/zinc/91/24/11/606912411.db2.gz HXQFLJJCPXMZBI-OAHLLOKOSA-N -1 3 343.362 2.184 20 10 EECDHM COc1ccc(N(C)C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000821827674 606912413 /nfs/dbraw/zinc/91/24/13/606912413.db2.gz HXQFLJJCPXMZBI-OAHLLOKOSA-N -1 3 343.362 2.184 20 10 EECDHM Cc1ccncc1C=CC(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826315362 609510933 /nfs/dbraw/zinc/51/09/33/609510933.db2.gz HIRPASIHCMAKLV-SNAWJCMRSA-N -1 3 332.367 2.173 20 10 EECDHM Cc1ccncc1C=CC(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826315362 609510935 /nfs/dbraw/zinc/51/09/35/609510935.db2.gz HIRPASIHCMAKLV-SNAWJCMRSA-N -1 3 332.367 2.173 20 10 EECDHM CC(C)(CN1CCOCC1)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890763317 675601589 /nfs/dbraw/zinc/60/15/89/675601589.db2.gz SAKLIWLWLYQWPW-UHFFFAOYSA-N -1 3 326.824 2.020 20 10 EECDHM COCCCN(Cc1cc(Cl)ccc1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000120146493 1197840999 /nfs/dbraw/zinc/84/09/99/1197840999.db2.gz OKELKVCZVKCXGL-CQSZACIVSA-N -1 3 347.864 2.071 20 10 EECDHM C[C@@H]1CC[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C[C@H]1C ZINC000248499118 1214837026 /nfs/dbraw/zinc/83/70/26/1214837026.db2.gz MQOBPVAKOONYME-UTUOFQBUSA-N -1 3 340.445 2.318 20 10 EECDHM [O-]c1c(Cl)cccc1CN1C[C@@H]2[C@H](C1)OCCN2Cc1ccc[nH]1 ZINC001276380326 1249963141 /nfs/dbraw/zinc/96/31/41/1249963141.db2.gz PIJZLGAJPGKMPT-SJORKVTESA-N -1 3 347.846 2.459 20 10 EECDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1ccn[nH]c1=O ZINC001192397734 1281972430 /nfs/dbraw/zinc/97/24/30/1281972430.db2.gz CBJRBAVIDSDJKY-UHFFFAOYSA-N -1 3 330.731 2.019 20 10 EECDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1cc(CO)ccn1 ZINC001193931487 1282767065 /nfs/dbraw/zinc/76/70/65/1282767065.db2.gz GMQWXCJIRJKZCG-UHFFFAOYSA-N -1 3 343.770 2.411 20 10 EECDHM Cc1[nH]c(=O)ncc1C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001194180765 1282926565 /nfs/dbraw/zinc/92/65/65/1282926565.db2.gz IZCJTMVYZFXMFK-UHFFFAOYSA-N -1 3 344.758 2.328 20 10 EECDHM CN(Cc1ccc(N2CCOCC2)cc1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000853095947 1292279749 /nfs/dbraw/zinc/27/97/49/1292279749.db2.gz GRJVRBNHHVTYBQ-UHFFFAOYSA-N -1 3 344.371 2.168 20 10 EECDHM CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cc(=O)[n-]cn1 ZINC000858202494 1294043474 /nfs/dbraw/zinc/04/34/74/1294043474.db2.gz ZVLODHDLKBPANV-UHFFFAOYSA-N -1 3 326.400 2.445 20 10 EECDHM [O-]c1cccc(Br)c1CN1CCO[C@]2(CCOC2)C1 ZINC000862333398 1295795970 /nfs/dbraw/zinc/79/59/70/1295795970.db2.gz OCYGACFIUZXFIL-CQSZACIVSA-N -1 3 328.206 2.146 20 10 EECDHM C[C@@H]1CC(F)(F)CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000863012445 1296071240 /nfs/dbraw/zinc/07/12/40/1296071240.db2.gz FQQCIAYMPPYGEP-SECBINFHSA-N -1 3 348.371 2.024 20 10 EECDHM Cc1cc(OC[C@@H]2COCO2)c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001229540351 1302843380 /nfs/dbraw/zinc/84/33/80/1302843380.db2.gz CKOZVTMJLMYKNI-NSHDSACASA-N -1 3 340.331 2.228 20 10 EECDHM CC(C)(C)OC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(C(=O)[O-])cc3[O-])C[C@H]21 ZINC001231449691 1303799790 /nfs/dbraw/zinc/79/97/90/1303799790.db2.gz LZQZFJOFZWUSJO-NHAGDIPZSA-N -1 3 348.399 2.045 20 10 EECDHM CC(C)(C)OC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(C(=O)[O-])cc3[O-])C[C@H]21 ZINC001231449691 1303799792 /nfs/dbraw/zinc/79/97/92/1303799792.db2.gz LZQZFJOFZWUSJO-NHAGDIPZSA-N -1 3 348.399 2.045 20 10 EECDHM COC[C@@H]1COCCC12CC[NH+](Cc1ccc(C(=O)[O-])cc1[O-])CC2 ZINC001231451637 1303800553 /nfs/dbraw/zinc/80/05/53/1303800553.db2.gz NXIWDGWRYPAEKA-MRXNPFEDSA-N -1 3 349.427 2.356 20 10 EECDHM COC[C@@H]1CN(Cc2cc(Cl)c([O-])cc2O)Cc2cn(C)nc21 ZINC001232257730 1304056098 /nfs/dbraw/zinc/05/60/98/1304056098.db2.gz IPHWZOSROWFATL-LBPRGKRZSA-N -1 3 337.807 2.231 20 10 EECDHM COc1cccc(N2CCN(Cc3cc(Cl)c([O-])cc3O)CC2)n1 ZINC001232262430 1304056887 /nfs/dbraw/zinc/05/68/87/1304056887.db2.gz HHHIAWICYHRSQC-UHFFFAOYSA-N -1 3 349.818 2.477 20 10 EECDHM O=C(c1cccnc1)N1CCN(Cc2cc(Cl)c([O-])cc2O)CC1 ZINC001232262159 1304057411 /nfs/dbraw/zinc/05/74/11/1304057411.db2.gz AXJVKPGPZULBMM-UHFFFAOYSA-N -1 3 347.802 2.104 20 10 EECDHM [O-]c1ccc(F)c(F)c1CN1CCN(CCc2ccccn2)CC1 ZINC001233334347 1304435301 /nfs/dbraw/zinc/43/53/01/1304435301.db2.gz CIAHYFFDDMLIPK-UHFFFAOYSA-N -1 3 333.382 2.426 20 10 EECDHM COC(=O)c1ccccc1S(=O)(=O)Nc1cc(F)c([O-])cc1F ZINC001254044802 1317992080 /nfs/dbraw/zinc/99/20/80/1317992080.db2.gz IEZBQXDIWJSGPK-UHFFFAOYSA-N -1 3 343.307 2.258 20 10 EECDHM Cn1nnc2c1ncnc2NCc1cc(Cl)c2cccnc2c1[O-] ZINC001157726419 1318821012 /nfs/dbraw/zinc/82/10/12/1318821012.db2.gz PNTJQBFIKUIAHN-UHFFFAOYSA-N -1 3 341.762 2.278 20 10 EECDHM O=S(=O)([N-]Cc1ccc(O)c(O)c1)c1ccc(Cl)cc1F ZINC001259513318 1319604529 /nfs/dbraw/zinc/60/45/29/1319604529.db2.gz FHFJCYHHVGVZDW-UHFFFAOYSA-N -1 3 331.752 2.369 20 10 EECDHM C[C@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])C(=O)NCC(F)(F)F ZINC001325356003 1333871169 /nfs/dbraw/zinc/87/11/69/1333871169.db2.gz HBBUHCMHOBPSQY-YUMQZZPRSA-N -1 3 335.282 2.018 20 10 EECDHM O=C1N[C@H]2CN(Cc3ccc(Br)cc3[O-])CC[C@@H]2CO1 ZINC001327890272 1334359899 /nfs/dbraw/zinc/35/98/99/1334359899.db2.gz DNPHPYAMTSKIMP-PWSUYJOCSA-N -1 3 341.205 2.085 20 10 EECDHM CC[C@@H]1CCC[C@H]1CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC001330790521 1334903743 /nfs/dbraw/zinc/90/37/43/1334903743.db2.gz XTFKRYZFBNNGIS-NEPJUHHUSA-N -1 3 340.445 2.320 20 10 EECDHM NC(=O)c1ccc(N2CCN(Cc3cc(F)cc(F)c3[O-])CC2)cc1 ZINC001331989243 1335696834 /nfs/dbraw/zinc/69/68/34/1335696834.db2.gz IVEMGUPOGQWHJZ-UHFFFAOYSA-N -1 3 347.365 2.092 20 10 EECDHM O=C([O-])c1cc2ccccc2c(CN2CCO[C@]3(CCOC3)C2)c1O ZINC001610819041 1352279956 /nfs/dbraw/zinc/27/99/56/1352279956.db2.gz QXXJLHOJTOCYSO-LJQANCHMSA-N -1 3 343.379 2.235 20 10 EECDHM C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589954665 1349078246 /nfs/dbraw/zinc/07/82/46/1349078246.db2.gz IKJSRLSNYOYMMT-BTQDYEIMSA-N -1 3 329.404 2.181 20 10 EECDHM C[C@@H]([NH2+]C[C@H](c1ccco1)N(C)C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589978987 1349090238 /nfs/dbraw/zinc/09/02/38/1349090238.db2.gz UFGIITNUUBUEJF-BXUZGUMPSA-N -1 3 342.403 2.119 20 10 EECDHM CCC(CC)(CCO)C[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590427321 1349318997 /nfs/dbraw/zinc/31/89/97/1349318997.db2.gz ZPDQQJKXLHXYFE-LBPRGKRZSA-N -1 3 333.436 2.412 20 10 EECDHM CC[C@@H](COCC1CC1)[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590446355 1349329245 /nfs/dbraw/zinc/32/92/45/1349329245.db2.gz ARZLMMRDSMQCIL-YPMHNXCESA-N -1 3 331.420 2.428 20 10 EECDHM [O-]c1c(C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)ccc(F)c1F ZINC001593538785 1349835176 /nfs/dbraw/zinc/83/51/76/1349835176.db2.gz GFUHKJABCRDVNN-UHFFFAOYSA-N -1 3 335.289 2.279 20 10 EECDHM C[C@@H]([NH2+][C@@H]1CC(C)(C)CC[C@H]1O)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603676295 1350740613 /nfs/dbraw/zinc/74/06/13/1350740613.db2.gz CYTVEJIZALYXSW-LERXQTSPSA-N -1 3 331.420 2.163 20 10 EECDHM CN(C)C(=O)CN(Cc1c([O-])ccc2ccncc21)CC(F)(F)F ZINC000917448106 798229125 /nfs/dbraw/zinc/22/91/25/798229125.db2.gz WCPJZFOBQBAHDB-UHFFFAOYSA-N -1 3 341.333 2.393 20 10 EECDHM CN1CC[C@@H](C(=O)NCc2cc(Cl)c3cccnc3c2[O-])CC1=O ZINC001180637723 800505558 /nfs/dbraw/zinc/50/55/58/800505558.db2.gz QTHDVWDFECIYFC-SNVBAGLBSA-N -1 3 347.802 2.078 20 10 EECDHM C[C@H](NC(=O)c1cccc(O)c1[O-])c1ccc(N2CCOCC2)cc1 ZINC000790572633 808809873 /nfs/dbraw/zinc/80/98/73/808809873.db2.gz SRGIJZFREIFSRQ-ZDUSSCGKSA-N -1 3 342.395 2.425 20 10 EECDHM CCOC(=O)N1CCC[C@H]([C@@H](C)NC(=O)c2cccc(O)c2[O-])C1 ZINC000790944631 808998225 /nfs/dbraw/zinc/99/82/25/808998225.db2.gz CNLXATWNAKAQFW-NEPJUHHUSA-N -1 3 336.388 2.085 20 10 EECDHM CCOc1cccc(CN[C@@H]2CCCn3nc(C(=O)[O-])cc32)c1O ZINC001597154789 986943206 /nfs/dbraw/zinc/94/32/06/986943206.db2.gz AKFVCKWXKAEGIV-GFCCVEGCSA-N -1 3 331.372 2.310 20 10 EECDHM C[C@@H]([NH2+]C[C@H](O)COc1cccc(F)c1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593245774 994440989 /nfs/dbraw/zinc/44/09/89/994440989.db2.gz BVONKEXCYPLOFG-RISCZKNCSA-N -1 3 349.358 2.320 20 10 EECDHM CN1CCN(c2cc(CNCc3c([O-])cccc3Cl)ccn2)CC1 ZINC000113322926 529776934 /nfs/dbraw/zinc/77/69/34/529776934.db2.gz MULKAUIIVZMPDI-UHFFFAOYSA-N -1 3 346.862 2.482 20 10 EECDHM Cc1cc([O-])c(CN2CCCC[C@H]2C(N)=O)cc1Br ZINC001237679633 782085968 /nfs/dbraw/zinc/08/59/68/782085968.db2.gz SXWXDRLGNBDYFS-LBPRGKRZSA-N -1 3 327.222 2.303 20 10 EECDHM COc1cc(Cl)cc(CN2CC(OC(=O)NC(C)C)C2)c1[O-] ZINC000297330800 465252298 /nfs/dbraw/zinc/25/22/98/465252298.db2.gz DXMLKWIOUSINTI-UHFFFAOYSA-N -1 3 328.796 2.373 20 10 EECDHM Cc1ccc(C(=O)N2CCN([C@@H](C)c3nccs3)CC2)c([O-])c1O ZINC000185704446 463865018 /nfs/dbraw/zinc/86/50/18/463865018.db2.gz ORJSAJFLQNEJLT-LBPRGKRZSA-N -1 3 347.440 2.382 20 10 EECDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1C[C@H]1CCCOC1 ZINC000277496123 463918449 /nfs/dbraw/zinc/91/84/49/463918449.db2.gz WJVYLAXBDHRPNS-LLVKDONJSA-N -1 3 338.791 2.236 20 10 EECDHM C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@H]1NC(=O)OC(C)(C)C ZINC000277698778 463925858 /nfs/dbraw/zinc/92/58/58/463925858.db2.gz WBFPGWAUZLGBIH-ZYHUDNBSSA-N -1 3 336.388 2.083 20 10 EECDHM CC[C@@H]1CN(Cc2cc(F)cc(C(C)=O)c2[O-])C[C@@H](C)S1(=O)=O ZINC000287606255 463942235 /nfs/dbraw/zinc/94/22/35/463942235.db2.gz YZRBKCHKXNQVCG-QMTHXVAHSA-N -1 3 343.420 2.131 20 10 EECDHM C[C@@H](NCC(=O)N1CCOCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000186235405 463957622 /nfs/dbraw/zinc/95/76/22/463957622.db2.gz YVOPQMFCJCUNBK-SECBINFHSA-N -1 3 333.215 2.208 20 10 EECDHM COCC1(O)CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1 ZINC000270335636 464252420 /nfs/dbraw/zinc/25/24/20/464252420.db2.gz CUBAGIIKBSEVDJ-UHFFFAOYSA-N -1 3 327.808 2.222 20 10 EECDHM COC(=O)CN(CCc1ccccc1)C(=O)c1ccc(C)c(O)c1[O-] ZINC000272703162 464685355 /nfs/dbraw/zinc/68/53/55/464685355.db2.gz GCFMTJRCCFJLQT-UHFFFAOYSA-N -1 3 343.379 2.264 20 10 EECDHM Cc1ccc(C(=O)NCC[C@H](C)NC(=O)OC(C)(C)C)c([O-])c1O ZINC000272741840 464687965 /nfs/dbraw/zinc/68/79/65/464687965.db2.gz INAZSZMDYGUIEU-NSHDSACASA-N -1 3 338.404 2.439 20 10 EECDHM COc1ccc([C@H](CCO)NC(=O)c2ccc(C)c(O)c2[O-])cc1 ZINC000272914622 464695124 /nfs/dbraw/zinc/69/51/24/464695124.db2.gz DKNXENWZAIOTHP-HNNXBMFYSA-N -1 3 331.368 2.268 20 10 EECDHM CCCN(Cc1nnnn1CC(F)(F)F)Cc1ccccc1[O-] ZINC000190919931 464744891 /nfs/dbraw/zinc/74/48/91/464744891.db2.gz FPRUNTFNBCDQRY-UHFFFAOYSA-N -1 3 329.326 2.353 20 10 EECDHM Cc1ccc(C(=O)NCc2cccnc2OCC(F)F)c([O-])c1O ZINC000182955218 464764996 /nfs/dbraw/zinc/76/49/96/464764996.db2.gz JWHVHZLDAZFMNK-UHFFFAOYSA-N -1 3 338.310 2.375 20 10 EECDHM Cc1ccc(C(=O)N2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)c([O-])c1O ZINC000182958906 464765585 /nfs/dbraw/zinc/76/55/85/464765585.db2.gz UMHTXRUGSJZPBY-GFCCVEGCSA-N -1 3 342.399 2.422 20 10 EECDHM O=C(c1cccc(O)c1[O-])N1CCC(O)(Cc2ccccc2F)CC1 ZINC000373338389 466770485 /nfs/dbraw/zinc/77/04/85/466770485.db2.gz RXEFNVBWOCHOSR-UHFFFAOYSA-N -1 3 345.370 2.447 20 10 EECDHM CC(C)[C@@H]1C(=O)NCCN1Cc1cc(Br)ccc1[O-] ZINC000093054401 528647488 /nfs/dbraw/zinc/64/74/88/528647488.db2.gz CWILYXPOLQMDGO-CYBMUJFWSA-N -1 3 327.222 2.111 20 10 EECDHM CCN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1CCCC1 ZINC000094015367 529074207 /nfs/dbraw/zinc/07/42/07/529074207.db2.gz VSAIKAGXRQACCT-UHFFFAOYSA-N -1 3 326.418 2.168 20 10 EECDHM Cn1ccnc1[C@]([O-])(C[NH2+]Cc1cc(Cl)ccc1[O-])C(F)(F)F ZINC000725849383 576069217 /nfs/dbraw/zinc/06/92/17/576069217.db2.gz LWZNNXFIYFTSLB-CYBMUJFWSA-N -1 3 349.740 2.319 20 10 EECDHM O=C(NC[C@@H](c1ccccc1)N1CCOCC1)c1cc([O-])cs1 ZINC000731868070 577130894 /nfs/dbraw/zinc/13/08/94/577130894.db2.gz KLZKROFEXYYYTD-HNNXBMFYSA-N -1 3 332.425 2.257 20 10 EECDHM COc1c([O-])c(CNc2ccc3c(c2)NC(=O)CO3)ccc1[N+](=O)[O-] ZINC000774978329 577425268 /nfs/dbraw/zinc/42/52/68/577425268.db2.gz SGHXQQOAJPUJAO-UHFFFAOYSA-N -1 3 345.311 2.252 20 10 EECDHM C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1cccc(O)c1[O-] ZINC000776327661 577457734 /nfs/dbraw/zinc/45/77/34/577457734.db2.gz MRAFEGCBNOBGHY-NSHDSACASA-N -1 3 349.408 2.335 20 10 EECDHM COc1cc(N2CCN(Cc3c([O-])cccc3Cl)CC2)ncn1 ZINC000764676392 577486501 /nfs/dbraw/zinc/48/65/01/577486501.db2.gz LLRNAVXRCCUNMI-UHFFFAOYSA-N -1 3 334.807 2.166 20 10 EECDHM CC(C)C(NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(C)C ZINC000770037803 577589416 /nfs/dbraw/zinc/58/94/16/577589416.db2.gz DKMIJWVOVMYHJL-UHFFFAOYSA-N -1 3 328.434 2.174 20 10 EECDHM O=C([O-])/C=C/c1ccc(N2CC[C@@H](N3CC=CC3)C2)c([N+](=O)[O-])c1 ZINC000833196394 600819464 /nfs/dbraw/zinc/81/94/64/600819464.db2.gz SHSGAIIFTJJADQ-YVARQFDVSA-N -1 3 329.356 2.143 20 10 EECDHM CN(C)c1ccc(CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)cc1 ZINC000821589299 606645014 /nfs/dbraw/zinc/64/50/14/606645014.db2.gz HLCIHTRQGYBSNK-UHFFFAOYSA-N -1 3 339.359 2.453 20 10 EECDHM CC(C)(C)CCCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000156037230 1208343753 /nfs/dbraw/zinc/34/37/53/1208343753.db2.gz ZWBUFMMAFPBLGC-UHFFFAOYSA-N -1 3 328.434 2.320 20 10 EECDHM COCCn1c(NC(=O)c2cccc(O)c2[O-])nc2ccccc21 ZINC000193164719 1210749201 /nfs/dbraw/zinc/74/92/01/1210749201.db2.gz PUFGCZUBVZCSJP-UHFFFAOYSA-N -1 3 327.340 2.346 20 10 EECDHM O=S(=O)([N-]Cc1cccc(O)c1O)c1ccc(Cl)nc1Cl ZINC001187985065 1279728965 /nfs/dbraw/zinc/72/89/65/1279728965.db2.gz AXCGZIDAMRBICR-UHFFFAOYSA-N -1 3 349.195 2.278 20 10 EECDHM CC[C@H](C)N1CC[C@@]2(CCC[N@@H+]2Cc2ccc(C(=O)[O-])cc2[O-])C1=O ZINC001273707427 1283766608 /nfs/dbraw/zinc/76/66/08/1283766608.db2.gz QBVICNCWPQTKNI-DJJJIMSYSA-N -1 3 346.427 2.456 20 10 EECDHM CC[C@H](C)N1CC[C@@]2(CCC[N@H+]2Cc2ccc(C(=O)[O-])cc2[O-])C1=O ZINC001273707427 1283766616 /nfs/dbraw/zinc/76/66/16/1283766616.db2.gz QBVICNCWPQTKNI-DJJJIMSYSA-N -1 3 346.427 2.456 20 10 EECDHM CN(C)c1ccc(CNC(=O)c2nnc3ccccc3c2[O-])cc1F ZINC000111586586 1292447149 /nfs/dbraw/zinc/44/71/49/1292447149.db2.gz DNBHONDDWUFRNX-UHFFFAOYSA-N -1 3 340.358 2.058 20 10 EECDHM CCn1nc(C)c(CNCc2c([O-])cccc2Br)n1 ZINC000858183229 1294035712 /nfs/dbraw/zinc/03/57/12/1294035712.db2.gz YYIJVYLVFNQTII-UHFFFAOYSA-N -1 3 325.210 2.364 20 10 EECDHM C[C@H]1CN(Cc2c([O-])cccc2Br)CC[S@](=O)C1 ZINC000862347121 1295803343 /nfs/dbraw/zinc/80/33/43/1295803343.db2.gz NILZSVSHDHAPSY-YPMLDQLKSA-N -1 3 332.263 2.355 20 10 EECDHM O=C([O-])c1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC2)c([O-])c1 ZINC001231449294 1303799814 /nfs/dbraw/zinc/79/98/14/1303799814.db2.gz FUHXQFICCCMMDF-HOTGVXAUSA-N -1 3 344.411 2.066 20 10 EECDHM O=C([O-])c1ccc(C[N@H+]2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC2)c([O-])c1 ZINC001231449294 1303799818 /nfs/dbraw/zinc/79/98/18/1303799818.db2.gz FUHXQFICCCMMDF-HOTGVXAUSA-N -1 3 344.411 2.066 20 10 EECDHM [O-]c1cc(O)c(CN2CCN(Cc3ccccn3)CC2)cc1Cl ZINC001232257379 1304054923 /nfs/dbraw/zinc/05/49/23/1304054923.db2.gz DKHBZZXMXJIZQH-UHFFFAOYSA-N -1 3 333.819 2.464 20 10 EECDHM CO[C@@H](C)C1CN(Cc2ccc(I)cc2[O-])C1 ZINC001232977721 1304313801 /nfs/dbraw/zinc/31/38/01/1304313801.db2.gz JTZRTLQGJISFGI-VIFPVBQESA-N -1 3 347.196 2.464 20 10 EECDHM CS(=O)(=O)[C@@H]1CCCN(Cc2ccc(C(F)(F)F)cc2[O-])C1 ZINC001233455059 1304470286 /nfs/dbraw/zinc/47/02/86/1304470286.db2.gz UQTWRJBXNMFYSV-GFCCVEGCSA-N -1 3 337.363 2.420 20 10 EECDHM CCCC(=O)c1cc(O)c([O-])cc1O[C@H]1C[C@@H]2CC(=O)C[C@H]1N2C ZINC001233496731 1304483780 /nfs/dbraw/zinc/48/37/80/1304483780.db2.gz HKKZUSYYASNGQR-PCJJGOFDSA-N -1 3 333.384 2.264 20 10 EECDHM COC(=O)[C@@]12COC[C@@H]1CN(Cc1cc(Cl)c(Cl)cc1[O-])C2 ZINC001236794897 1305679187 /nfs/dbraw/zinc/67/91/87/1305679187.db2.gz WGDHUEHFVCWRPO-BONVTDFDSA-N -1 3 346.210 2.320 20 10 EECDHM COc1cc([O-])c(CN2CCCC[C@H]2C(N)=O)c(Br)c1 ZINC001237072811 1305787576 /nfs/dbraw/zinc/78/75/76/1305787576.db2.gz KGKLUOLPIGDFIE-LBPRGKRZSA-N -1 3 343.221 2.003 20 10 EECDHM CN(C)C(=O)[C@H]1C[C@@H]2[C@@H](CCN2Cc2c([O-])ccc(F)c2Cl)O1 ZINC001237122312 1305804699 /nfs/dbraw/zinc/80/46/99/1305804699.db2.gz SNEIACRRZAMGHX-MRVWCRGKSA-N -1 3 342.798 2.005 20 10 EECDHM [O-]c1c(I)cccc1CN1CCC(CO)CC1 ZINC001237775000 1306082214 /nfs/dbraw/zinc/08/22/14/1306082214.db2.gz BFXXNNDTBNFZQS-UHFFFAOYSA-N -1 3 347.196 2.201 20 10 EECDHM [O-]c1c(I)cccc1CN1CCC[C@H](O)CC1 ZINC001237778225 1306085647 /nfs/dbraw/zinc/08/56/47/1306085647.db2.gz UYDJXCNTVZLSSK-NSHDSACASA-N -1 3 347.196 2.344 20 10 EECDHM [O-]c1c(Cl)cc(F)cc1CN1CCN(C2CCOCC2)CC1 ZINC001237814529 1306107392 /nfs/dbraw/zinc/10/73/92/1306107392.db2.gz SHWVNIVJBKRXBR-UHFFFAOYSA-N -1 3 328.815 2.481 20 10 EECDHM CCOC(=O)c1cc2n(n1)CCCN(Cc1cc(F)ccc1[O-])C2 ZINC001140063232 1314806874 /nfs/dbraw/zinc/80/68/74/1314806874.db2.gz NLFMGRGVYBAHTL-UHFFFAOYSA-N -1 3 333.363 2.310 20 10 EECDHM COC(=O)[C@@H]1C[C@@H](F)CN1Cc1cc(Br)ccc1[O-] ZINC001203635974 1321929203 /nfs/dbraw/zinc/92/92/03/1321929203.db2.gz LNAJTUOUYZBQQT-MNOVXSKESA-N -1 3 332.169 2.240 20 10 EECDHM C[C@H]([NH2+]C1CCN(C[C@@H]2CCCO2)CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609780684 1352083702 /nfs/dbraw/zinc/08/37/02/1352083702.db2.gz UYZBWYIOWNJANT-BBRMVZONSA-N -1 3 348.443 2.384 20 10 EECDHM C[C@H]([NH2+][C@H]1CCCN2CCCC[C@H]12)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589957088 1349078134 /nfs/dbraw/zinc/07/81/34/1349078134.db2.gz RIKTZVROIQPUTQ-VBNZEHGJSA-N -1 3 342.447 2.240 20 10 EECDHM C[C@@H]([NH2+]CCOCC1CCCC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589961490 1349082150 /nfs/dbraw/zinc/08/21/50/1349082150.db2.gz BYCCGRVFQAUIKI-GFCCVEGCSA-N -1 3 331.420 2.430 20 10 EECDHM CC[C@@H]([NH2+]CC1(CF)CCOCC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590466613 1349341923 /nfs/dbraw/zinc/34/19/23/1349341923.db2.gz ZLAAYNQUMTYWLN-CQSZACIVSA-N -1 3 349.410 2.379 20 10 EECDHM CC[C@H]([NH2+]C[C@H]1CCOC[C@@H]1C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604055568 1350841629 /nfs/dbraw/zinc/84/16/29/1350841629.db2.gz NOSGMVMUVDZEEQ-ZOWXZIJZSA-N -1 3 331.420 2.286 20 10 EECDHM CCn1nnc2c1[C@@H](COC)CN(Cc1c([O-])cccc1Cl)C2 ZINC001140338214 1372565564 /nfs/dbraw/zinc/56/55/64/1372565564.db2.gz AVRQNZVDWTTXOO-LLVKDONJSA-N -1 3 336.823 2.403 20 10 EECDHM CCCC(=O)NCCC1=CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001089806458 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ZINC001589978983 1349090399 /nfs/dbraw/zinc/09/03/99/1349090399.db2.gz UDGQTATZSWDIAZ-ABAIWWIYSA-N -1 3 331.420 2.020 20 10 EECDHM C(=Cc1cc(-c2nnn[n-]2)ccn1)c1ccc(N2CCOCC2)cc1 ZINC001602745647 1350579634 /nfs/dbraw/zinc/57/96/34/1350579634.db2.gz MOUKIAXCAPKYEX-RJRFIUFISA-N -1 3 334.383 2.269 20 10 EECDHM C(=Cc1cc(-c2nn[n-]n2)ccn1)c1ccc(N2CCOCC2)cc1 ZINC001602745647 1350579637 /nfs/dbraw/zinc/57/96/37/1350579637.db2.gz MOUKIAXCAPKYEX-RJRFIUFISA-N -1 3 334.383 2.269 20 10 EECDHM CC(C)[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2[O-])CCO1 ZINC001603658199 1350736339 /nfs/dbraw/zinc/73/63/39/1350736339.db2.gz QIYYJNNUXVXTBR-HUBLWGQQSA-N -1 3 331.420 2.427 20 10 EECDHM COCC1CCC([NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2[O-])CC1 ZINC001591392594 1403907599 /nfs/dbraw/zinc/90/75/99/1403907599.db2.gz PDNYKPNNTGBUHG-HIFPTAJRSA-N -1 3 331.420 2.428 20 10 EECDHM CC(C)[C@@H]1CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000781793863 761399827 /nfs/dbraw/zinc/39/98/27/761399827.db2.gz 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20 10 EECDHM O=C(c1cccc(O)c1[O-])N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000279296209 464086120 /nfs/dbraw/zinc/08/61/20/464086120.db2.gz MWTAZYPCBXDHMF-CQSZACIVSA-N -1 3 335.400 2.288 20 10 EECDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2ccc(C)n(C)c2=O)c1 ZINC000279502996 464115302 /nfs/dbraw/zinc/11/53/02/464115302.db2.gz MSTGXZXJXFAEJE-LBPRGKRZSA-N -1 3 330.384 2.037 20 10 EECDHM COc1ccc(-n2ccc(CNC(=O)c3cccc(O)c3[O-])n2)cc1 ZINC000188272562 464241158 /nfs/dbraw/zinc/24/11/58/464241158.db2.gz CHKNFPJFGICZTD-UHFFFAOYSA-N -1 3 339.351 2.222 20 10 EECDHM COC(=O)[C@@H]1c2ccccc2CCN1Cc1cc2c(cc1[O-])OCO2 ZINC000271193963 464287294 /nfs/dbraw/zinc/28/72/94/464287294.db2.gz RXUZKXNVWAXJCY-SFHVURJKSA-N -1 3 341.363 2.393 20 10 EECDHM COCCCCC(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1[O-] ZINC000272291139 464550832 /nfs/dbraw/zinc/55/08/32/464550832.db2.gz VIEBGROFGUPXJA-UHFFFAOYSA-N -1 3 343.807 2.364 20 10 EECDHM COc1nccc(CN(Cc2ccccc2[O-])C[C@H]2CCCO2)n1 ZINC000294611780 464553590 /nfs/dbraw/zinc/55/35/90/464553590.db2.gz 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Cc1nnc(NCc2ccc(N3CC=CC3)cc2)c(-c2nnn[n-]2)c1C ZINC000737532517 578262421 /nfs/dbraw/zinc/26/24/21/578262421.db2.gz JABPTOOCLHGALZ-UHFFFAOYSA-N -1 3 348.414 2.262 20 10 EECDHM Cc1nnc(NCc2ccc(N3CC=CC3)cc2)c(-c2nn[n-]n2)c1C ZINC000737532517 578262422 /nfs/dbraw/zinc/26/24/22/578262422.db2.gz JABPTOOCLHGALZ-UHFFFAOYSA-N -1 3 348.414 2.262 20 10 EECDHM COc1cc(Br)cc(CN2CCC(C(=O)[O-])CC2)c1O ZINC000820754460 598119495 /nfs/dbraw/zinc/11/94/95/598119495.db2.gz DQBCVJLZUUEJND-UHFFFAOYSA-N -1 3 344.205 2.460 20 10 EECDHM CN(Cc1cccc(-c2nnn[n-]2)c1F)c1ccc2c(c1)OCO2 ZINC000825976588 608414531 /nfs/dbraw/zinc/41/45/31/608414531.db2.gz MRMVSECRPAYVMB-UHFFFAOYSA-N -1 3 327.319 2.371 20 10 EECDHM CN(Cc1cccc(-c2nn[n-]n2)c1F)c1ccc2c(c1)OCO2 ZINC000825976588 608414533 /nfs/dbraw/zinc/41/45/33/608414533.db2.gz MRMVSECRPAYVMB-UHFFFAOYSA-N -1 3 327.319 2.371 20 10 EECDHM O=C1COC2(CN(Cc3cc(F)ccc3[O-])C2)CN1CC1CCCC1 ZINC001273284433 1197952323 /nfs/dbraw/zinc/95/23/23/1197952323.db2.gz 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C[C@@H](NCC(=O)NCC1CC1)c1cc(Br)c(F)cc1[O-] ZINC000757631001 577861478 /nfs/dbraw/zinc/86/14/78/577861478.db2.gz BARLPPYLIMCWKT-MRVPVSSYSA-N -1 3 345.212 2.471 20 10 EECDHM COc1cccc([O-])c1CNCc1ccc2c(c1)CCS2(=O)=O ZINC000757692466 577862615 /nfs/dbraw/zinc/86/26/15/577862615.db2.gz HLXNWTMDLHVCQQ-UHFFFAOYSA-N -1 3 333.409 2.020 20 10 EECDHM COc1cc(OC)cc(N2CC[C@@H](NC(=O)c3cc([O-])cs3)C2)c1 ZINC000748438197 577961670 /nfs/dbraw/zinc/96/16/70/577961670.db2.gz PZCCNDOMACFOHK-LLVKDONJSA-N -1 3 348.424 2.480 20 10 EECDHM O=C(NCCCSc1nccs1)c1cc2c(cc1[O-])OCO2 ZINC000736680816 578217805 /nfs/dbraw/zinc/21/78/05/578217805.db2.gz WIGXFICIMFUSMX-UHFFFAOYSA-N -1 3 338.410 2.490 20 10 EECDHM CC[C@@H]1C(=O)NCCCN1Cc1cc(Br)ccc1[O-] ZINC000898540831 693364270 /nfs/dbraw/zinc/36/42/70/693364270.db2.gz CBSNSXJVADCQAF-GFCCVEGCSA-N -1 3 327.222 2.255 20 10 EECDHM CC(=O)[C@H](C)N1CC[C@@]2(CCCN2Cc2c([O-])cccc2F)C1=O ZINC001273266462 1197892121 /nfs/dbraw/zinc/89/21/21/1197892121.db2.gz 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COC[C@H]1CN(Cc2c([O-])cccc2Br)C[C@@H](C)O1 ZINC000862336665 1295798119 /nfs/dbraw/zinc/79/81/19/1295798119.db2.gz IWRIRFMDLBGETA-GHMZBOCLSA-N -1 3 330.222 2.390 20 10 EECDHM C[C@@H]1C[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])CC[C@@]1(O)C(F)(F)F ZINC001231447911 1303800029 /nfs/dbraw/zinc/80/00/29/1303800029.db2.gz YGAUKVFXWGIMMQ-OTYXRUKQSA-N -1 3 333.306 2.226 20 10 EECDHM C[C@@H]1C[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])CC[C@@]1(O)C(F)(F)F ZINC001231447911 1303800032 /nfs/dbraw/zinc/80/00/32/1303800032.db2.gz YGAUKVFXWGIMMQ-OTYXRUKQSA-N -1 3 333.306 2.226 20 10 EECDHM COc1cccc(O[C@H]2CC[N@H+](Cc3ccc(C(=O)[O-])cc3[O-])C2)n1 ZINC001231453667 1303803073 /nfs/dbraw/zinc/80/30/73/1303803073.db2.gz OAUGROBJGFKEFX-AWEZNQCLSA-N -1 3 344.367 2.147 20 10 EECDHM COc1cccc(O[C@H]2CC[N@@H+](Cc3ccc(C(=O)[O-])cc3[O-])C2)n1 ZINC001231453667 1303803079 /nfs/dbraw/zinc/80/30/79/1303803079.db2.gz OAUGROBJGFKEFX-AWEZNQCLSA-N -1 3 344.367 2.147 20 10 EECDHM Cc1cnc(OC2CC[NH+](Cc3ccc(C(=O)[O-])cc3[O-])CC2)nc1 ZINC001231453960 1303803681 /nfs/dbraw/zinc/80/36/81/1303803681.db2.gz RWPLJLYZLUTTMH-UHFFFAOYSA-N -1 3 343.383 2.232 20 10 EECDHM COc1cc([O-])c(CN2CC(N3C[C@H](C)O[C@@H](C)C3)C2)c(Cl)c1 ZINC001236806272 1305682889 /nfs/dbraw/zinc/68/28/89/1305682889.db2.gz SRQCPELFKWKOFW-RYUDHWBXSA-N -1 3 340.851 2.348 20 10 EECDHM C[C@]1(CO)CCN(Cc2cccc(I)c2[O-])C1 ZINC001237778626 1306088355 /nfs/dbraw/zinc/08/83/55/1306088355.db2.gz YXBBZSACAHSBRG-ZDUSSCGKSA-N -1 3 347.196 2.201 20 10 EECDHM COc1c([O-])c(CNc2ccc(CCC(N)=O)cc2)ccc1[N+](=O)[O-] ZINC001256042794 1318618934 /nfs/dbraw/zinc/61/89/34/1318618934.db2.gz QJDJAWZTBDYUPL-UHFFFAOYSA-N -1 3 345.355 2.339 20 10 EECDHM COc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2F)c(OC)c1 ZINC001258959227 1319392549 /nfs/dbraw/zinc/39/25/49/1319392549.db2.gz OZAIKXQOKVZCTF-UHFFFAOYSA-N -1 3 327.333 2.349 20 10 EECDHM CC(=O)c1cc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)ccc1O ZINC001259849776 1319706417 /nfs/dbraw/zinc/70/64/17/1319706417.db2.gz QHDGAIUVPCKTKK-UHFFFAOYSA-N -1 3 335.337 2.124 20 10 EECDHM COc1c([O-])c(CNCc2cc(C3CC3)nn2C)ccc1[N+](=O)[O-] ZINC001308951260 1331609488 /nfs/dbraw/zinc/60/94/88/1331609488.db2.gz ZWPHPSMYSRRGDQ-UHFFFAOYSA-N -1 3 332.360 2.210 20 10 EECDHM C[C@H]([NH2+]Cc1nc2c(s1)CCC2)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589975637 1349088791 /nfs/dbraw/zinc/08/87/91/1349088791.db2.gz DGRUCNZZPCKYAH-VIFPVBQESA-N -1 3 342.428 2.368 20 10 EECDHM C[C@H]([NH2+]C[C@H](c1ccco1)N(C)C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589978990 1349090454 /nfs/dbraw/zinc/09/04/54/1349090454.db2.gz UFGIITNUUBUEJF-SMDDNHRTSA-N -1 3 342.403 2.119 20 10 EECDHM CC[C@H]([NH2+]Cc1c(C)noc1C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590466003 1349341032 /nfs/dbraw/zinc/34/10/32/1349341032.db2.gz JCADLDFROMPVSX-AWEZNQCLSA-N -1 3 328.376 2.418 20 10 EECDHM CC[C@H]([NH2+]C[C@@H]1C[C@H](C)O[C@@H]1C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590466656 1349341823 /nfs/dbraw/zinc/34/18/23/1349341823.db2.gz LJLDSPZHMKRVJD-OXIQGZBJSA-N -1 3 331.420 2.427 20 10 EECDHM Fc1ccc(NC(=S)NNc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC001592650400 1349695081 /nfs/dbraw/zinc/69/50/81/1349695081.db2.gz MVQGMKKIWAROIN-UHFFFAOYSA-N -1 3 347.354 2.458 20 10 EECDHM Fc1ccc(NC(=S)NNc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC001592650400 1349695086 /nfs/dbraw/zinc/69/50/86/1349695086.db2.gz MVQGMKKIWAROIN-UHFFFAOYSA-N -1 3 347.354 2.458 20 10 EECDHM C[C@H]([NH2+]C[C@H]1Cc2ccccc2O1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603655870 1350734809 /nfs/dbraw/zinc/73/48/09/1350734809.db2.gz CFNFYLDHXFXBOB-WCQYABFASA-N -1 3 337.383 2.227 20 10 EECDHM C[C@@H]([NH2+]CCCNc1ccccn1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603661929 1350736930 /nfs/dbraw/zinc/73/69/30/1350736930.db2.gz FBWJJJCKAZNCDO-GFCCVEGCSA-N -1 3 339.403 2.120 20 10 EECDHM C[C@@H]([NH2+]Cc1ccc(-c2nnn[n-]2)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC001603666409 1350737420 /nfs/dbraw/zinc/73/74/20/1350737420.db2.gz ZUOFEDHCOGDFNE-SNVBAGLBSA-N -1 3 340.343 2.331 20 10 EECDHM C[C@@H]([NH2+]Cc1ccc(-c2nn[n-]n2)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC001603666409 1350737426 /nfs/dbraw/zinc/73/74/26/1350737426.db2.gz ZUOFEDHCOGDFNE-SNVBAGLBSA-N -1 3 340.343 2.331 20 10 EECDHM C[C@H]([NH2+]Cc1ccc2c(c1)COC2)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603668411 1350738430 /nfs/dbraw/zinc/73/84/30/1350738430.db2.gz VIMUIAKFTDGPOV-NSHDSACASA-N -1 3 337.383 2.453 20 10 EECDHM O=C(NCc1c(O)ccc2ccccc21)c1cnccc1-c1nnn[n-]1 ZINC001606814863 1351359538 /nfs/dbraw/zinc/35/95/38/1351359538.db2.gz WOYNZYAJOIYWRX-UHFFFAOYSA-N -1 3 346.350 2.051 20 10 EECDHM O=C(NCc1c(O)ccc2ccccc21)c1cnccc1-c1nn[n-]n1 ZINC001606814863 1351359544 /nfs/dbraw/zinc/35/95/44/1351359544.db2.gz WOYNZYAJOIYWRX-UHFFFAOYSA-N -1 3 346.350 2.051 20 10 EECDHM CN(Cc1cc(F)cc(F)c1[O-])[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000894054256 780471222 /nfs/dbraw/zinc/47/12/22/780471222.db2.gz KIXOJYOJFCGBMI-KBPBESRZSA-N -1 3 333.400 2.458 20 10 EECDHM COC(=O)c1c2n[nH]cc2ccc1NC(=O)c1cccc(O)c1[O-] ZINC001148218750 792252075 /nfs/dbraw/zinc/25/20/75/792252075.db2.gz KCWQTSCOTXGXMH-UHFFFAOYSA-N -1 3 327.296 2.013 20 10 EECDHM COc1cccc2[nH]cc(CNC(=O)c3cc(O)c([O-])c(O)c3)c21 ZINC001148591076 792576280 /nfs/dbraw/zinc/57/62/80/792576280.db2.gz SWAMZGYYTLTOSP-UHFFFAOYSA-N -1 3 328.324 2.223 20 10 EECDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccc2c(c1)CC(=O)N2C ZINC000790647684 808864461 /nfs/dbraw/zinc/86/44/61/808864461.db2.gz YEJUBFIAJJTWAO-SNVBAGLBSA-N -1 3 326.352 2.108 20 10 EECDHM C[C@@H]([NH2+]CC(C)(C)C(=O)N1CCCC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593241297 994438383 /nfs/dbraw/zinc/43/83/83/994438383.db2.gz ZNWSDBFJPFVGHV-GFCCVEGCSA-N -1 3 334.416 2.390 20 10 EECDHM Cc1ccc(C(=O)NCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)c([O-])c1O ZINC000177666077 463761074 /nfs/dbraw/zinc/76/10/74/463761074.db2.gz CVBIDWVDMMTMAN-STQMWFEESA-N -1 3 336.432 2.024 20 10 EECDHM COC(=O)N1CC(N[C@H](C)c2cc(Br)ccc2[O-])C1 ZINC000186137068 463940817 /nfs/dbraw/zinc/94/08/17/463940817.db2.gz IOXHJUNHUPROCA-MRVPVSSYSA-N -1 3 329.194 2.256 20 10 EECDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1CC1=CCCOC1 ZINC000287627738 463950503 /nfs/dbraw/zinc/95/05/03/463950503.db2.gz IKNNTCRAAFYERR-UHFFFAOYSA-N -1 3 336.775 2.157 20 10 EECDHM CCOC(=O)[C@]1(C(C)C)CCN(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000278554036 463970934 /nfs/dbraw/zinc/97/09/34/463970934.db2.gz PQRGIENPEPCCKZ-GOSISDBHSA-N -1 3 335.400 2.458 20 10 EECDHM CC(=O)N1CCN(C(=O)c2ccc(C)c(O)c2[O-])CC12CCCCC2 ZINC000273039627 464700527 /nfs/dbraw/zinc/70/05/27/464700527.db2.gz VDRCJGMMKRBONL-UHFFFAOYSA-N -1 3 346.427 2.413 20 10 EECDHM COCCN(C(=O)c1cccc(O)c1[O-])c1ccc(OC)c(OC)c1 ZINC000275186526 464765646 /nfs/dbraw/zinc/76/56/46/464765646.db2.gz YXTQEXAHHNSRIT-UHFFFAOYSA-N -1 3 347.367 2.408 20 10 EECDHM CN(C)CCOc1cccc(CNC(=O)c2c(F)ccc(O)c2[O-])c1 ZINC000276508865 464959798 /nfs/dbraw/zinc/95/97/98/464959798.db2.gz DMAUAXLFNLMVCV-UHFFFAOYSA-N -1 3 348.374 2.107 20 10 EECDHM Cc1nc2ccccn2c1[C@@H]1C(=O)NCCN1Cc1ccccc1[O-] ZINC000361069730 465744197 /nfs/dbraw/zinc/74/41/97/465744197.db2.gz TURIAPUXNNXHPM-GOSISDBHSA-N -1 3 336.395 2.021 20 10 EECDHM CCCN(CC(C)C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000299408426 521582146 /nfs/dbraw/zinc/58/21/46/521582146.db2.gz PQVJAIIQQVDYDJ-UHFFFAOYSA-N -1 3 328.434 2.272 20 10 EECDHM C[C@H](OC(=O)c1cc([O-])cs1)C(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000732353832 577174679 /nfs/dbraw/zinc/17/46/79/577174679.db2.gz AZEMLVITUSCDMK-QMMMGPOBSA-N -1 3 347.348 2.213 20 10 EECDHM COc1c([O-])c(CN2CCCC[C@@H]2C2OCCO2)ccc1[N+](=O)[O-] ZINC000774876986 577421800 /nfs/dbraw/zinc/42/18/00/577421800.db2.gz UCZHVAZVTAGJGU-CYBMUJFWSA-N -1 3 338.360 2.036 20 10 EECDHM Cc1ccc(C(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)c([O-])c1O ZINC000770505412 577597641 /nfs/dbraw/zinc/59/76/41/577597641.db2.gz ZXXKFSQPLRDPKH-UHFFFAOYSA-N -1 3 328.324 2.014 20 10 EECDHM C[C@@H](CO)CCCN1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000762270286 577698492 /nfs/dbraw/zinc/69/84/92/577698492.db2.gz MOYBMGOCEHWIEZ-LLVKDONJSA-N -1 3 340.807 2.218 20 10 EECDHM CN1CCCc2cc(CNC(=O)c3cc4c(cc3[O-])OCO4)ccc21 ZINC000746888984 577935499 /nfs/dbraw/zinc/93/54/99/577935499.db2.gz GMDWHVQQACIKTN-UHFFFAOYSA-N -1 3 340.379 2.433 20 10 EECDHM COC(=O)[C@H](Sc1nccs1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736901619 578229279 /nfs/dbraw/zinc/22/92/79/578229279.db2.gz NDIFKFUHKMATPH-SNVBAGLBSA-N -1 3 333.398 2.330 20 10 EECDHM COC(=O)[C@H](Sc1nccs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736901619 578229280 /nfs/dbraw/zinc/22/92/80/578229280.db2.gz NDIFKFUHKMATPH-SNVBAGLBSA-N -1 3 333.398 2.330 20 10 EECDHM COc1ccc(O)c(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC000737108432 578238442 /nfs/dbraw/zinc/23/84/42/578238442.db2.gz LQOGHVMWCPHALE-UHFFFAOYSA-N -1 3 342.315 2.101 20 10 EECDHM COc1ccc(O)c(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC000737108432 578238443 /nfs/dbraw/zinc/23/84/43/578238443.db2.gz LQOGHVMWCPHALE-UHFFFAOYSA-N -1 3 342.315 2.101 20 10 EECDHM CCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000829496748 604770213 /nfs/dbraw/zinc/77/02/13/604770213.db2.gz OKNIMPVAEQGFTQ-CQSZACIVSA-N -1 3 348.443 2.316 20 10 EECDHM CCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000829496748 604770218 /nfs/dbraw/zinc/77/02/18/604770218.db2.gz OKNIMPVAEQGFTQ-CQSZACIVSA-N -1 3 348.443 2.316 20 10 EECDHM CC(=O)[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CCN2Cc1c([O-])cccc1F ZINC001273266136 1197889124 /nfs/dbraw/zinc/88/91/24/1197889124.db2.gz QPRSHHSNYDLYGT-HFBAOOFYSA-N -1 3 334.391 2.074 20 10 EECDHM CCOCCN1CC[C@@]2(CCCN2Cc2c([O-])cccc2F)C1=O ZINC001273266321 1197891636 /nfs/dbraw/zinc/89/16/36/1197891636.db2.gz WUOHIDNIVMGKTR-SFHVURJKSA-N -1 3 336.407 2.135 20 10 EECDHM NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1ccc(Br)cc1[O-] ZINC000825658961 1198513504 /nfs/dbraw/zinc/51/35/04/1198513504.db2.gz UTPAPJUVBSBRHE-BHYNMZESSA-N -1 3 339.233 2.241 20 10 EECDHM C[C@@H](N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1(C)CC1 ZINC000092427033 1214476758 /nfs/dbraw/zinc/47/67/58/1214476758.db2.gz LJBFRXHGVQHARX-SNVBAGLBSA-N -1 3 326.418 2.024 20 10 EECDHM CC[C@@H]1CCCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000093900112 1214972197 /nfs/dbraw/zinc/97/21/97/1214972197.db2.gz AYPOGLLBBMSXPO-GFCCVEGCSA-N -1 3 326.418 2.168 20 10 EECDHM CCS(=O)(CC)=NS(=O)(=O)[N-][C@H](C)c1ccc(N(C)C)cc1 ZINC000867125908 1283688230 /nfs/dbraw/zinc/68/82/30/1283688230.db2.gz PMPWQKGYPFFMIR-GFCCVEGCSA-N -1 3 347.506 2.156 20 10 EECDHM Cn1ccnc1NC(=O)[C@@]12C[C@@H]1CCN2Cc1cc(Cl)ccc1[O-] ZINC001277456198 1303215386 /nfs/dbraw/zinc/21/53/86/1303215386.db2.gz CIWXHAAUCMXATL-YVEFUNNKSA-N -1 3 346.818 2.382 20 10 EECDHM CN(C)C(=O)[C@@H]1CCn2nccc2CN1Cc1cc(Cl)ccc1[O-] ZINC001277458340 1303276138 /nfs/dbraw/zinc/27/61/38/1303276138.db2.gz QJGUWSYBJBEWFN-HNNXBMFYSA-N -1 3 348.834 2.105 20 10 EECDHM CCN1C(=O)CCC12CC[NH+](Cc1ccc(C(=O)[O-])cc1[O-])CC2 ZINC001231449233 1303799257 /nfs/dbraw/zinc/79/92/57/1303799257.db2.gz HGMSLBCQFXAAAT-UHFFFAOYSA-N -1 3 332.400 2.067 20 10 EECDHM COC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1cc(C(=O)[O-])ccc1[O-])C2 ZINC001231564583 1303849346 /nfs/dbraw/zinc/84/93/46/1303849346.db2.gz XHAMLSPSFUUYMS-AEFFLSMTSA-N -1 3 335.400 2.108 20 10 EECDHM COC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1cc(C(=O)[O-])ccc1[O-])C2 ZINC001231564583 1303849354 /nfs/dbraw/zinc/84/93/54/1303849354.db2.gz XHAMLSPSFUUYMS-AEFFLSMTSA-N -1 3 335.400 2.108 20 10 EECDHM COC[C@H]1Cn2nccc2CN(Cc2cc(Cl)c([O-])cc2O)C1 ZINC001232261477 1304057523 /nfs/dbraw/zinc/05/75/23/1304057523.db2.gz ILQYRSSEBUFHHH-LLVKDONJSA-N -1 3 337.807 2.226 20 10 EECDHM [O-]c1cc(I)ccc1CN1CCCC[C@H]1CO ZINC001232974445 1304312469 /nfs/dbraw/zinc/31/24/69/1304312469.db2.gz OEHNVWXLHOOEQH-LBPRGKRZSA-N -1 3 347.196 2.344 20 10 EECDHM COc1cc([O-])c(CN2CC[C@@H](O)[C@@H](F)C2)c(Br)c1 ZINC001237065426 1305785196 /nfs/dbraw/zinc/78/51/96/1305785196.db2.gz OPZCOEDVGPWDNG-NWDGAFQWSA-N -1 3 334.185 2.068 20 10 EECDHM COc1cc([O-])c(CN2CC[C@@H](F)[C@H](O)C2)c(Br)c1 ZINC001237063414 1305784690 /nfs/dbraw/zinc/78/46/90/1305784690.db2.gz QCVREIQWASXXMI-DGCLKSJQSA-N -1 3 334.185 2.068 20 10 EECDHM CCN(Cc1c([O-])cc(OC)cc1Br)C1CN(C)C1 ZINC001237069195 1305786949 /nfs/dbraw/zinc/78/69/49/1305786949.db2.gz ZHEUXBDBFFFCRX-UHFFFAOYSA-N -1 3 329.238 2.299 20 10 EECDHM Cc1cc([O-])c(CN2CC3(C2)CS(=O)C3)cc1Br ZINC001237680242 1306043247 /nfs/dbraw/zinc/04/32/47/1306043247.db2.gz HWXUDCCYPFDAAU-UHFFFAOYSA-N -1 3 330.247 2.027 20 10 EECDHM C[C@@H]1CCN(Cc2cccc(I)c2[O-])C[C@H]1O ZINC001237777678 1306084259 /nfs/dbraw/zinc/08/42/59/1306084259.db2.gz OZLXTPPNQGQJKC-BXKDBHETSA-N -1 3 347.196 2.200 20 10 EECDHM O=C(c1ccco1)N1C[C@H]2CN(Cc3c([O-])cc(F)cc3F)C[C@@H]2C1 ZINC001140581568 1314909514 /nfs/dbraw/zinc/90/95/14/1314909514.db2.gz ZEPDWQQJGKVXDG-VXGBXAGGSA-N -1 3 348.349 2.467 20 10 EECDHM [O-]c1ccc(-c2nnc(C3CCOCC3)o2)cc1CN1CCOCC1 ZINC001255752690 1318528772 /nfs/dbraw/zinc/52/87/72/1318528772.db2.gz QGQMEEDRHLWHIV-UHFFFAOYSA-N -1 3 345.399 2.168 20 10 EECDHM O=C(CCc1ccc[nH]1)N1CC2(CN(Cc3cccc(F)c3[O-])C2)C1 ZINC001276537378 1323998040 /nfs/dbraw/zinc/99/80/40/1323998040.db2.gz FKKWJRWEJMJEBI-UHFFFAOYSA-N -1 3 343.402 2.136 20 10 EECDHM C[C@@H]([NH2+]CCc1nnc2n1CCCCC2)c1cc(C(=O)[O-])ccc1[O-] ZINC001609780079 1352083412 /nfs/dbraw/zinc/08/34/12/1352083412.db2.gz MJAVNSJSNWMHPC-GFCCVEGCSA-N -1 3 344.415 2.302 20 10 EECDHM C[C@@H]([NH2+]CCCC(=O)OC(C)(C)C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589963379 1349083783 /nfs/dbraw/zinc/08/37/83/1349083783.db2.gz WRZNNNSXGRDLRS-LLVKDONJSA-N -1 3 347.419 2.345 20 10 EECDHM Cc1cc(C(=O)Cn2cc(-c3nnn[n-]3)cn2)c(C)n1-c1ccccc1 ZINC001591907642 1349555824 /nfs/dbraw/zinc/55/58/24/1349555824.db2.gz BNFFCPSPDIGSOA-UHFFFAOYSA-N -1 3 347.382 2.354 20 10 EECDHM Cc1cc(C(=O)Cn2cc(-c3nn[n-]n3)cn2)c(C)n1-c1ccccc1 ZINC001591907642 1349555830 /nfs/dbraw/zinc/55/58/30/1349555830.db2.gz BNFFCPSPDIGSOA-UHFFFAOYSA-N -1 3 347.382 2.354 20 10 EECDHM COc1ccc([C@H](NCc2ccc3c(c2)CCO3)C(=O)[O-])cc1O ZINC001607234972 1351455327 /nfs/dbraw/zinc/45/53/27/1351455327.db2.gz QXEMYAMKEVZNCO-KRWDZBQOSA-N -1 3 329.352 2.251 20 10 EECDHM COc1ccnc(O[C@H]2CCCN(Cc3c([O-])cccc3F)C2)n1 ZINC001137841349 1372282535 /nfs/dbraw/zinc/28/25/35/1372282535.db2.gz BGBYLHVDNMINPM-LBPRGKRZSA-N -1 3 333.363 2.373 20 10 EECDHM [O-]c1cc(F)c(Cl)cc1CN1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000816502555 784072582 /nfs/dbraw/zinc/07/25/82/784072582.db2.gz GRESXXGILQOREU-HUUCEWRRSA-N -1 3 328.815 2.216 20 10 EECDHM CC(=O)N[C@@H](C(=O)NCc1cc(Cl)c2cccnc2c1[O-])C(C)C ZINC001144369037 789650620 /nfs/dbraw/zinc/65/06/20/789650620.db2.gz VNNPELNNXLOWOC-CQSZACIVSA-N -1 3 349.818 2.371 20 10 EECDHM O=c1[nH]cc2[nH]cc(NCc3cc(Br)ccc3[O-])cc1-2 ZINC001171176661 789737449 /nfs/dbraw/zinc/73/74/49/789737449.db2.gz USQIVJNQBBZVJO-UHFFFAOYSA-N -1 3 334.173 2.405 20 10 EECDHM Nc1c(F)cnc(Br)c1NC(=O)c1cccc(O)c1[O-] ZINC001148213120 792244770 /nfs/dbraw/zinc/24/47/70/792244770.db2.gz WIOMLJQPEFXJQC-UHFFFAOYSA-N -1 3 342.124 2.229 20 10 EECDHM O=C(NC[C@@H](O)c1cc(F)cc(Cl)c1)c1cccc(O)c1[O-] ZINC000787843721 807267805 /nfs/dbraw/zinc/26/78/05/807267805.db2.gz QUJIUEQXWVZUPO-CYBMUJFWSA-N -1 3 325.723 2.354 20 10 EECDHM COC(=O)C[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccc(OC)cc1 ZINC000790487066 808746516 /nfs/dbraw/zinc/74/65/16/808746516.db2.gz INJQOFMWDKGIAE-CQSZACIVSA-N -1 3 345.351 2.141 20 10 EECDHM COC(=O)C[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccc(F)cc1 ZINC000790577407 808833202 /nfs/dbraw/zinc/83/32/02/808833202.db2.gz QQFKCURFWGSREY-CYBMUJFWSA-N -1 3 333.315 2.271 20 10 EECDHM O=C(Nc1cc(Cl)cc2c1OCC(=O)N2)c1cccc(O)c1[O-] ZINC000805240725 811187528 /nfs/dbraw/zinc/18/75/28/811187528.db2.gz ATLIUDVUOQNNCZ-UHFFFAOYSA-N -1 3 334.715 2.334 20 10 EECDHM CC[C@H]1CN(Cc2c([O-])ccc3ccncc32)C[C@H](C)S1(=O)=O ZINC000808193550 812507105 /nfs/dbraw/zinc/50/71/05/812507105.db2.gz IPSNISMGKKIIEJ-JSGCOSHPSA-N -1 3 334.441 2.338 20 10 EECDHM C[C@@H]([NH2+]C[C@@H](CO)CC1CCOCC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593248637 994472643 /nfs/dbraw/zinc/47/26/43/994472643.db2.gz VENUKRKPLGYSPK-OCCSQVGLSA-N -1 3 337.416 2.166 20 10 EECDHM C[C@@H]([NH2+]C[C@H]1CCCN1CC(F)F)c1cc(C(=O)[O-])ccc1[O-] ZINC001593257448 994528865 /nfs/dbraw/zinc/52/88/65/994528865.db2.gz NUGZWXQFEYHWAF-ZYHUDNBSSA-N -1 3 328.359 2.471 20 10 EECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCc3ccccc32)c1 ZINC000055163548 214281619 /nfs/dbraw/zinc/28/16/19/214281619.db2.gz FDGCWNOCSDGADI-HNNXBMFYSA-N -1 3 346.408 2.181 20 10 EECDHM C[C@H](C(=O)NC(=O)NCc1ccccc1)N(C)Cc1ccccc1[O-] ZINC000109770756 237131547 /nfs/dbraw/zinc/13/15/47/237131547.db2.gz SGFHYBMJRPDSFS-CQSZACIVSA-N -1 3 341.411 2.239 20 10 EECDHM C[C@@H]1CCCN(C(=O)C2CCN(C(=O)c3cccc(O)c3[O-])CC2)C1 ZINC000192985582 237355015 /nfs/dbraw/zinc/35/50/15/237355015.db2.gz MYFFOLRMBFNFHI-CYBMUJFWSA-N -1 3 346.427 2.209 20 10 EECDHM Cn1ccnc1[C@H](NC(=O)c1cccc(O)c1[O-])c1ccccc1F ZINC000370499806 238259713 /nfs/dbraw/zinc/25/97/13/238259713.db2.gz ODJHFGMSKKHBDW-OAHLLOKOSA-N -1 3 341.342 2.490 20 10 EECDHM Cc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)c([O-])c1 ZINC000054285396 463223581 /nfs/dbraw/zinc/22/35/81/463223581.db2.gz LRNUIVOKYCCMRU-UHFFFAOYSA-N -1 3 326.396 2.467 20 10 EECDHM Cc1ccc(C(=O)NC2CCN(C(=O)c3ccoc3)CC2)c([O-])c1O ZINC000177668374 463760880 /nfs/dbraw/zinc/76/08/80/463760880.db2.gz IKYVWGJDIFNILL-UHFFFAOYSA-N -1 3 344.367 2.034 20 10 EECDHM COCC[C@H](C)N1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277766590 463930763 /nfs/dbraw/zinc/93/07/63/463930763.db2.gz KDCIPZYRUCUEKT-JTQLQIEISA-N -1 3 326.780 2.235 20 10 EECDHM COCC(=O)N1CCN(Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000271033195 464275925 /nfs/dbraw/zinc/27/59/25/464275925.db2.gz DQZZUWBIXRUWCS-UHFFFAOYSA-N -1 3 340.423 2.350 20 10 EECDHM CC(=O)N1CCN(Cc2cc(Br)ccc2[O-])[C@@H](C)C1 ZINC000271155168 464283837 /nfs/dbraw/zinc/28/38/37/464283837.db2.gz BCLKPSSPZXZZFK-JTQLQIEISA-N -1 3 327.222 2.207 20 10 EECDHM COC(=O)[C@@H]1COCCN1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000271171352 464285647 /nfs/dbraw/zinc/28/56/47/464285647.db2.gz JBWCLTQYTHOPFB-KRWDZBQOSA-N -1 3 327.380 2.433 20 10 EECDHM CC[C@@H]1CC[C@H](C)N1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000271865129 464395638 /nfs/dbraw/zinc/39/56/38/464395638.db2.gz YMDRLENVXJUKEP-CMPLNLGQSA-N -1 3 326.418 2.167 20 10 EECDHM C[C@H]1CN(Cc2ccccc2)CCN1C(=O)c1cccc(O)c1[O-] ZINC000189410138 464496693 /nfs/dbraw/zinc/49/66/93/464496693.db2.gz VMGPECNMNCIDLM-AWEZNQCLSA-N -1 3 326.396 2.444 20 10 EECDHM Cc1ccc(C(=O)NCC[C@@H]2C(=O)Nc3ccccc32)c([O-])c1O ZINC000181785775 464528619 /nfs/dbraw/zinc/52/86/19/464528619.db2.gz BZSYRSHEVPFFKD-LBPRGKRZSA-N -1 3 326.352 2.262 20 10 EECDHM COC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccc(C)c(O)c1[O-] ZINC000272896413 464694932 /nfs/dbraw/zinc/69/49/32/464694932.db2.gz ZVFOSDCQXWRDKT-OAHLLOKOSA-N -1 3 341.363 2.146 20 10 EECDHM CC(C)(C)OC(=O)N1CCCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000274904282 464758200 /nfs/dbraw/zinc/75/82/00/464758200.db2.gz QXSRHBVMTXCWBE-UHFFFAOYSA-N -1 3 336.388 2.181 20 10 EECDHM CCc1cc(N2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)n(C)n1 ZINC000285987644 464765270 /nfs/dbraw/zinc/76/52/70/464765270.db2.gz NJCXWPYVIWMQFF-UHFFFAOYSA-N -1 3 348.790 2.310 20 10 EECDHM Cc1cc(Br)cc(CN2CC(=O)NCC2(C)C)c1[O-] ZINC000282746824 464930722 /nfs/dbraw/zinc/93/07/22/464930722.db2.gz NSFPQJWIFTUCMX-UHFFFAOYSA-N -1 3 327.222 2.174 20 10 EECDHM CCOC(=O)N1CCN(Cc2cc(Cl)cc(OC)c2[O-])CC1 ZINC000184672208 465016950 /nfs/dbraw/zinc/01/69/50/465016950.db2.gz NPMGPAZSKUSNSO-UHFFFAOYSA-N -1 3 328.796 2.328 20 10 EECDHM Cc1ccc(C(=O)N2CCC[C@@H](N3CCCCC3=O)C2)c([O-])c1O ZINC000371665100 465929362 /nfs/dbraw/zinc/92/93/62/465929362.db2.gz KLIBZAVNYRNBGW-CYBMUJFWSA-N -1 3 332.400 2.023 20 10 EECDHM Cc1ccc(N2CCN(C(=O)c3ccc(C)c(O)c3[O-])CC2=O)cc1 ZINC000376012794 534164571 /nfs/dbraw/zinc/16/45/71/534164571.db2.gz KUBFXZFOXOCKKN-UHFFFAOYSA-N -1 3 340.379 2.204 20 10 EECDHM C[C@@H]1CN(C(=O)CN(Cc2ccco2)Cc2ccccc2[O-])CCO1 ZINC000731844406 577127499 /nfs/dbraw/zinc/12/74/99/577127499.db2.gz GICYSKCETDFTEL-OAHLLOKOSA-N -1 3 344.411 2.235 20 10 EECDHM O=C(NCCN1CCN(c2ccccc2)CC1)c1cc([O-])cs1 ZINC000731868325 577130968 /nfs/dbraw/zinc/13/09/68/577130968.db2.gz CHCHJJGWKREWJK-UHFFFAOYSA-N -1 3 331.441 2.006 20 10 EECDHM COc1ccccc1C(=O)N1CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000732268753 577162343 /nfs/dbraw/zinc/16/23/43/577162343.db2.gz LJWVSLHPZDLPGP-UHFFFAOYSA-N -1 3 346.408 2.061 20 10 EECDHM NC(=O)[C@@H](CNC(=O)c1cc([O-])cs1)Cc1ccccc1Cl ZINC000732290556 577167210 /nfs/dbraw/zinc/16/72/10/577167210.db2.gz ZJULNPFNSLCLJM-SNVBAGLBSA-N -1 3 338.816 2.181 20 10 EECDHM [O-]c1cc2c(cc1CN1CCN(c3ccc(F)cc3)CC1)[C@H](O)CO2 ZINC000768439137 577555592 /nfs/dbraw/zinc/55/55/92/577555592.db2.gz ZOUKKVLQTMMNME-GOSISDBHSA-N -1 3 344.386 2.279 20 10 EECDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2ccc(OCC(N)=O)cc2)c1 ZINC000756802236 577850374 /nfs/dbraw/zinc/85/03/74/577850374.db2.gz GRUZWKGZDPOWES-LLVKDONJSA-N -1 3 344.367 2.216 20 10 EECDHM CC(C)[C@@H]1CCCN(Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)CC1 ZINC000737612335 578266722 /nfs/dbraw/zinc/26/67/22/578266722.db2.gz FNKNKCXPECVDNJ-GFCCVEGCSA-N -1 3 332.404 2.391 20 10 EECDHM CCOc1ccc(N(C)C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821422136 606900730 /nfs/dbraw/zinc/90/07/30/606900730.db2.gz OUZCIXUYLSFRBM-QGZVFWFLSA-N -1 3 339.399 2.435 20 10 EECDHM CCOc1ccc(N(C)C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821422136 606900732 /nfs/dbraw/zinc/90/07/32/606900732.db2.gz OUZCIXUYLSFRBM-QGZVFWFLSA-N -1 3 339.399 2.435 20 10 EECDHM CC[C@@](C)(CC(=O)[O-])C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899854055 693901127 /nfs/dbraw/zinc/90/11/27/693901127.db2.gz FZWWXJHQIXWVRT-APWZRJJASA-N -1 3 349.475 2.363 20 10 EECDHM O=C(c1cccc(O)c1[O-])N1CC[C@@]2(CCN(C3CCCC3)C2=O)C1 ZINC001269687102 1184521039 /nfs/dbraw/zinc/52/10/39/1184521039.db2.gz SUDSDSYZMFWHMK-LJQANCHMSA-N -1 3 344.411 2.105 20 10 EECDHM O=C([N-]CC1C[NH+](Cc2c([O-])ccc(Cl)c2F)C1)C(F)(F)F ZINC000877776842 1200095727 /nfs/dbraw/zinc/09/57/27/1200095727.db2.gz CXNRVPDCJZEBQV-UHFFFAOYSA-N -1 3 340.704 2.295 20 10 EECDHM Cc1c(NC(=O)c2cccc(O)c2[O-])nnn1Cc1ccccc1F ZINC000802144327 1236995977 /nfs/dbraw/zinc/99/59/77/1236995977.db2.gz NYKANWPUXKLPEC-UHFFFAOYSA-N -1 3 342.330 2.437 20 10 EECDHM COCC1CN(Cc2ccc(I)cc2[O-])C1 ZINC001232973819 1304311356 /nfs/dbraw/zinc/31/13/56/1304311356.db2.gz BBJMRFOHVYZUQH-UHFFFAOYSA-N -1 3 333.169 2.075 20 10 EECDHM O=C1OCCC[C@@H]1Oc1cccc2c1C(=O)c1cccc([O-])c1C2=O ZINC001229186702 1302661969 /nfs/dbraw/zinc/66/19/69/1302661969.db2.gz OAUDPDWLVHTRMM-AWEZNQCLSA-N -1 3 338.315 2.252 20 10 EECDHM CC(C)OC(=O)COc1cccc2c1C(=O)c1cccc([O-])c1C2=O ZINC001229192161 1302662627 /nfs/dbraw/zinc/66/26/27/1302662627.db2.gz HRDVMZDDRBEDNC-UHFFFAOYSA-N -1 3 340.331 2.498 20 10 EECDHM CC[C@@H](O)C(=O)Oc1cc(C)cc2c1C(=O)c1c([O-])cccc1C2=O ZINC001229540393 1302843521 /nfs/dbraw/zinc/84/35/21/1302843521.db2.gz CZCBLTAXYILKSO-GFCCVEGCSA-N -1 3 340.331 2.152 20 10 EECDHM O=C([O-])c1ccc(C[N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c([O-])c1 ZINC001231447247 1303798361 /nfs/dbraw/zinc/79/83/61/1303798361.db2.gz QMRYUZOXUBYFTE-AWEZNQCLSA-N -1 3 333.306 2.370 20 10 EECDHM O=C([O-])c1ccc(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c([O-])c1 ZINC001231447247 1303798366 /nfs/dbraw/zinc/79/83/66/1303798366.db2.gz QMRYUZOXUBYFTE-AWEZNQCLSA-N -1 3 333.306 2.370 20 10 EECDHM O=C([O-])c1ccc(C[N@@H+]2CCCC[C@@H]2C(=O)N2CCCC2)c([O-])c1 ZINC001231452994 1303801617 /nfs/dbraw/zinc/80/16/17/1303801617.db2.gz ZGUZBGGNOKOMBC-OAHLLOKOSA-N -1 3 332.400 2.067 20 10 EECDHM O=C([O-])c1ccc(C[N@H+]2CCCC[C@@H]2C(=O)N2CCCC2)c([O-])c1 ZINC001231452994 1303801623 /nfs/dbraw/zinc/80/16/23/1303801623.db2.gz ZGUZBGGNOKOMBC-OAHLLOKOSA-N -1 3 332.400 2.067 20 10 EECDHM O=C([O-])c1ccc(O)c(CN2CCCC[C@H]2C(=O)N2CCCC2)c1 ZINC001231564769 1303849384 /nfs/dbraw/zinc/84/93/84/1303849384.db2.gz XRCAWRAKISXBGW-HNNXBMFYSA-N -1 3 332.400 2.067 20 10 EECDHM COC(=O)c1cnc2c(c1)CN(Cc1cc(Cl)c([O-])cc1O)CC2 ZINC001232266762 1304058625 /nfs/dbraw/zinc/05/86/25/1304058625.db2.gz YASDLOZLNAHKKU-UHFFFAOYSA-N -1 3 348.786 2.491 20 10 EECDHM COC(=O)CC[C@@H]1COCCN1Cc1cc(Cl)c(OC)cc1[O-] ZINC001232270548 1304060849 /nfs/dbraw/zinc/06/08/49/1304060849.db2.gz DZCIPGADOLFXTH-GFCCVEGCSA-N -1 3 343.807 2.208 20 10 EECDHM COc1cc([O-])c(CN2Cc3ccnn3CC[C@@H]2CO)cc1Cl ZINC001232271539 1304061316 /nfs/dbraw/zinc/06/13/16/1304061316.db2.gz WKBZUJOURDCEFD-CYBMUJFWSA-N -1 3 337.807 2.018 20 10 EECDHM C[C@@H]1COCCN(Cc2ccc(I)cc2[O-])C1 ZINC001232975262 1304313844 /nfs/dbraw/zinc/31/38/44/1304313844.db2.gz YFMCOVXGBUXZPA-JTQLQIEISA-N -1 3 347.196 2.465 20 10 EECDHM C[C@H]1COCCN(Cc2cccc(I)c2[O-])C1 ZINC001237778285 1306084925 /nfs/dbraw/zinc/08/49/25/1306084925.db2.gz WDGRBTUKQYGUSX-SNVBAGLBSA-N -1 3 347.196 2.465 20 10 EECDHM Cc1cc(=O)oc2c1ccc([O-])c2CN1CC[C@@](O)(C(F)(F)F)C1 ZINC001139126269 1314707627 /nfs/dbraw/zinc/70/76/27/1314707627.db2.gz DDIRFQHSDMWQFQ-HNNXBMFYSA-N -1 3 343.301 2.306 20 10 EECDHM O=C(NC1CCN(Cc2cc(F)c(F)cc2[O-])CC1)N1CCCC1 ZINC001142531310 1315652199 /nfs/dbraw/zinc/65/21/99/1315652199.db2.gz TTZFZQHKCBWMTH-UHFFFAOYSA-N -1 3 339.386 2.440 20 10 EECDHM [O-]c1ccc(Br)cc1CN1CCO[C@H]2C[C@@H](CO)C[C@@H]21 ZINC001203635695 1321929198 /nfs/dbraw/zinc/92/91/98/1321929198.db2.gz DSJVQMKVPVDWQX-XEGUGMAKSA-N -1 3 342.233 2.126 20 10 EECDHM COC(=O)N1CCCN(Cc2ccc(Br)cc2[O-])CC1 ZINC001261675669 1322151637 /nfs/dbraw/zinc/15/16/37/1322151637.db2.gz JWPUJXZEUNKHAE-UHFFFAOYSA-N -1 3 343.221 2.429 20 10 EECDHM CC(C)NC(=O)N1C[C@H]2C[C@@H](C1)N(Cc1c([O-])ccc(F)c1F)C2 ZINC001276472448 1322175022 /nfs/dbraw/zinc/17/50/22/1322175022.db2.gz MZJRONBAPPEEHE-RYUDHWBXSA-N -1 3 339.386 2.295 20 10 EECDHM COc1cc([O-])c(CN2CC3(CN(Cc4cn[nH]c4)C3)C2)cc1Cl ZINC001276621409 1324832103 /nfs/dbraw/zinc/83/21/03/1324832103.db2.gz UOPCEIXAQGIQPS-UHFFFAOYSA-N -1 3 348.834 2.095 20 10 EECDHM COc1cccc(NC(=S)NNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001605322349 1351136186 /nfs/dbraw/zinc/13/61/86/1351136186.db2.gz VYOCNAIJPVLPFF-UHFFFAOYSA-N -1 3 341.400 2.189 20 10 EECDHM Cc1cc(-c2nnn[n-]2)cc(N[C@@H](C)Cc2ccc(O)c(O)c2)n1 ZINC001591857750 1349548405 /nfs/dbraw/zinc/54/84/05/1349548405.db2.gz LIJXKTQVTUTCQE-VIFPVBQESA-N -1 3 326.360 2.024 20 10 EECDHM Cc1cc(-c2nn[n-]n2)cc(N[C@@H](C)Cc2ccc(O)c(O)c2)n1 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CNC(=O)[C@H]1CCCCN1Cc1ccc(Br)cc1[O-] ZINC000691675963 1303786572 /nfs/dbraw/zinc/78/65/72/1303786572.db2.gz JZSTXVVKCIWZTL-GFCCVEGCSA-N -1 3 327.222 2.255 20 10 EECDHM COc1cc(O[C@H]2CC[N@H+](Cc3ccc(C(=O)[O-])cc3[O-])C2)ccn1 ZINC001231453333 1303802117 /nfs/dbraw/zinc/80/21/17/1303802117.db2.gz LLHHEPWSAFLIDE-HNNXBMFYSA-N -1 3 344.367 2.147 20 10 EECDHM COc1cc(O[C@H]2CC[N@@H+](Cc3ccc(C(=O)[O-])cc3[O-])C2)ccn1 ZINC001231453333 1303802119 /nfs/dbraw/zinc/80/21/19/1303802119.db2.gz LLHHEPWSAFLIDE-HNNXBMFYSA-N -1 3 344.367 2.147 20 10 EECDHM CS(=O)(=O)n1cc2c(n1)CN(Cc1c([O-])ccc3ccccc31)C2 ZINC001231590577 1303858167 /nfs/dbraw/zinc/85/81/67/1303858167.db2.gz IDMXBDDVRQQNHD-UHFFFAOYSA-N -1 3 343.408 2.065 20 10 EECDHM COc1cc([O-])c(CN2CCN(c3ncc(C)cn3)CC2)cc1Cl ZINC001232271223 1304060580 /nfs/dbraw/zinc/06/05/80/1304060580.db2.gz RLHPKNFRLJQKMZ-UHFFFAOYSA-N -1 3 348.834 2.475 20 10 EECDHM O=C1NCC2(CCN(Cc3cccc(Br)c3[O-])CC2)O1 ZINC000783721643 1304337464 /nfs/dbraw/zinc/33/74/64/1304337464.db2.gz HYQIZRKNNDYLKO-UHFFFAOYSA-N -1 3 341.205 2.229 20 10 EECDHM COc1cc([O-])c(CN2CCn3ccnc3C2)c(Br)c1 ZINC001237058764 1305783458 /nfs/dbraw/zinc/78/34/58/1305783458.db2.gz AFIVUKDRJGLQIV-UHFFFAOYSA-N -1 3 338.205 2.376 20 10 EECDHM Cc1cc([O-])c(CN2CCNC(=O)C2(C)C)cc1Br ZINC001237679581 1306042180 /nfs/dbraw/zinc/04/21/80/1306042180.db2.gz ROVOPQKHBBAVBM-UHFFFAOYSA-N -1 3 327.222 2.174 20 10 EECDHM CC(=O)c1cc(F)cc(CN2CCN3CC(F)(F)C[C@H]3C2)c1[O-] ZINC000828777440 1314475015 /nfs/dbraw/zinc/47/50/15/1314475015.db2.gz NKYHYNJSZUTTOR-ZDUSSCGKSA-N -1 3 328.334 2.259 20 10 EECDHM CC(C)(C)OC(=O)N[C@H]1CN(Cc2ccc(Cl)cc2[O-])C[C@H]1O ZINC001140465066 1314892366 /nfs/dbraw/zinc/89/23/66/1314892366.db2.gz GZNJEGVKEXPIJW-GXTWGEPZSA-N -1 3 342.823 2.115 20 10 EECDHM [O-]c1cc(F)cc(F)c1CN1CC[C@@]2(CCN2c2ncccn2)C1 ZINC001140580392 1314909334 /nfs/dbraw/zinc/90/93/34/1314909334.db2.gz ALCJFKSANCADPF-QGZVFWFLSA-N -1 3 332.354 2.315 20 10 EECDHM O=c1cc(CNCc2c([O-])ccc(Cl)c2F)nc2ccccn12 ZINC001308454117 1331592551 /nfs/dbraw/zinc/59/25/51/1331592551.db2.gz WMZCMLSDGHHOEY-UHFFFAOYSA-N -1 3 333.750 2.482 20 10 EECDHM COc1ccccc1[C@@H](O)C[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001610363308 1352210887 /nfs/dbraw/zinc/21/08/87/1352210887.db2.gz LKGQYOCXQLJRJI-BZNIZROVSA-N -1 3 331.368 2.483 20 10 EECDHM C[C@H]([NH2+][C@@H]1CCCN2CCCC[C@H]12)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589957085 1349078115 /nfs/dbraw/zinc/07/81/15/1349078115.db2.gz RIKTZVROIQPUTQ-APHBMKBZSA-N -1 3 342.447 2.240 20 10 EECDHM CC[C@H]([NH2+]Cc1cnn(CC)c1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590467630 1349342478 /nfs/dbraw/zinc/34/24/78/1349342478.db2.gz ADOOKMGNTVCFCI-AWEZNQCLSA-N -1 3 327.392 2.030 20 10 EECDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)cnc1Sc1ncc(Cl)s1 ZINC001593473204 1349808194 /nfs/dbraw/zinc/80/81/94/1349808194.db2.gz PWYUKCNNFWPMSU-UHFFFAOYSA-N -1 3 341.765 2.431 20 10 EECDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)cnc1Sc1ncc(Cl)s1 ZINC001593473204 1349808200 /nfs/dbraw/zinc/80/82/00/1349808200.db2.gz PWYUKCNNFWPMSU-UHFFFAOYSA-N -1 3 341.765 2.431 20 10 EECDHM O=C([O-])[C@@H]1C[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)Cc2ccccc21 ZINC001601848480 1350380102 /nfs/dbraw/zinc/38/01/02/1350380102.db2.gz RDELFGOOTXDVEX-WBVHZDCISA-N -1 3 341.363 2.002 20 10 EECDHM O=C([O-])[C@@H]1C[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)Cc2ccccc21 ZINC001601848480 1350380104 /nfs/dbraw/zinc/38/01/04/1350380104.db2.gz RDELFGOOTXDVEX-WBVHZDCISA-N -1 3 341.363 2.002 20 10 EECDHM C[C@H]([NH2+][C@H](CCO)c1ccccc1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603679841 1350741133 /nfs/dbraw/zinc/74/11/33/1350741133.db2.gz XJBQHDYZUPCEPZ-BLLLJJGKSA-N -1 3 339.399 2.347 20 10 EECDHM C[C@H]([NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001604329945 1350917197 /nfs/dbraw/zinc/91/71/97/1350917197.db2.gz MPEWNSLZWMCMQY-CYZMBNFOSA-N -1 3 341.429 2.097 20 10 EECDHM C[C@@H](NCc1cncc(C(=O)[O-])c1)c1ccc(N2CCOCC2)cc1 ZINC001604350134 1350921655 /nfs/dbraw/zinc/92/16/55/1350921655.db2.gz ZZVDBDCRAJQZDK-CQSZACIVSA-N -1 3 341.411 2.467 20 10 EECDHM C[C@H](NCc1cncc(C(=O)[O-])c1)c1ccc(N2CCOCC2)cc1 ZINC001604350132 1350921871 /nfs/dbraw/zinc/92/18/71/1350921871.db2.gz ZZVDBDCRAJQZDK-AWEZNQCLSA-N -1 3 341.411 2.467 20 10 EECDHM C[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1)c1cc(C(=O)[O-])ccc1[O-] ZINC001604357436 1350922896 /nfs/dbraw/zinc/92/28/96/1350922896.db2.gz KMNVENLESOBPBC-IXBGWNDUSA-N -1 3 344.367 2.372 20 10 EECDHM c1cc(N2CCCCC2)ccc1CNc1cc(-c2nnn[n-]2)cnn1 ZINC001607120050 1351426375 /nfs/dbraw/zinc/42/63/75/1351426375.db2.gz RRVNRMYYWYVLPE-UHFFFAOYSA-N -1 3 336.403 2.259 20 10 EECDHM c1cc(N2CCCCC2)ccc1CNc1cc(-c2nn[n-]n2)cnn1 ZINC001607120050 1351426376 /nfs/dbraw/zinc/42/63/76/1351426376.db2.gz RRVNRMYYWYVLPE-UHFFFAOYSA-N -1 3 336.403 2.259 20 10 EECDHM C[C@@H]([NH2+]C[C@@H](O)COc1ccc(C(=O)[O-])cc1)c1ccccc1[O-] ZINC001607422532 1351492180 /nfs/dbraw/zinc/49/21/80/1351492180.db2.gz ZWVZKJOOJVUPRY-TZMCWYRMSA-N -1 3 331.368 2.181 20 10 EECDHM Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)c1[O-] ZINC001607656479 1351534261 /nfs/dbraw/zinc/53/42/61/1351534261.db2.gz ZGYBKHIMNDHVET-GFCCVEGCSA-N -1 3 336.779 2.091 20 10 EECDHM Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)c1[O-] ZINC001607656479 1351534264 /nfs/dbraw/zinc/53/42/64/1351534264.db2.gz ZGYBKHIMNDHVET-GFCCVEGCSA-N -1 3 336.779 2.091 20 10 EECDHM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(O)c(C)c3)ccc21 ZINC000182474811 779088755 /nfs/dbraw/zinc/08/87/55/779088755.db2.gz JWGANPZISIHJOV-UHFFFAOYSA-N -1 3 346.408 2.410 20 10 EECDHM CC(=O)N1CCN(Cc2ccc(Br)cc2[O-])[C@H](C)C1 ZINC000824829185 788330683 /nfs/dbraw/zinc/33/06/83/788330683.db2.gz GXJOHTFCWGXQAS-SNVBAGLBSA-N -1 3 327.222 2.207 20 10 EECDHM CC1(C(N)=O)CCN(Cc2cc(Br)c(F)cc2[O-])CC1 ZINC001144299618 789517809 /nfs/dbraw/zinc/51/78/09/789517809.db2.gz CKJRBMIZORTUJD-UHFFFAOYSA-N -1 3 345.212 2.381 20 10 EECDHM O=C(NC1(Cc2ccccn2)CCOCC1)c1cccc(O)c1[O-] ZINC001148224707 792260102 /nfs/dbraw/zinc/26/01/02/792260102.db2.gz SUPSXWWTFAPZIX-UHFFFAOYSA-N -1 3 328.368 2.015 20 10 EECDHM O=C(Nc1ccccc1CN1CCCC1=O)c1cc(O)c([O-])c(O)c1 ZINC001148586495 792573002 /nfs/dbraw/zinc/57/30/02/792573002.db2.gz PWBUKJQBMDVAKK-UHFFFAOYSA-N -1 3 342.351 2.178 20 10 EECDHM Cc1ccc(NC(=O)c2cccc(O)c2[O-])cc1N1CCNC1=O ZINC000787702370 807198596 /nfs/dbraw/zinc/19/85/96/807198596.db2.gz NKMCGSSEVWHDSZ-UHFFFAOYSA-N -1 3 327.340 2.188 20 10 EECDHM Cc1ccc(C(=O)Nc2ccc3c(c2)N(C(N)=O)CCC3)c([O-])c1O ZINC000787702098 807198836 /nfs/dbraw/zinc/19/88/36/807198836.db2.gz LSMXCVSWDHRISS-UHFFFAOYSA-N -1 3 341.367 2.490 20 10 EECDHM COCCOc1ncccc1CN[C@H](C)c1cc(C(=O)[O-])ccc1O ZINC001599262523 998411057 /nfs/dbraw/zinc/41/10/57/998411057.db2.gz XPCWJRUPPQIVOU-GFCCVEGCSA-N -1 3 346.383 2.361 20 10 EECDHM C[C@H]1CCCC[C@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000093901599 237053196 /nfs/dbraw/zinc/05/31/96/237053196.db2.gz TUGQBERBWNSAFX-GXFFZTMASA-N -1 3 326.418 2.072 20 10 EECDHM O=C(c1cccc(O)c1[O-])N1CCN(Cc2cccc(F)c2)CC1 ZINC000193137869 237372019 /nfs/dbraw/zinc/37/20/19/237372019.db2.gz JVMKWMVGQHKDGT-UHFFFAOYSA-N -1 3 330.359 2.195 20 10 EECDHM CCN(Cc1cc(Br)ccc1[O-])[C@@H](C)C(=O)N(C)C ZINC000076118427 462811375 /nfs/dbraw/zinc/81/13/75/462811375.db2.gz BFEDMLKCNTZWNA-JTQLQIEISA-N -1 3 329.238 2.453 20 10 EECDHM CC(=O)c1cc(F)cc(CN2CCC(N3CCCC3=O)CC2)c1[O-] ZINC000079431737 463212972 /nfs/dbraw/zinc/21/29/72/463212972.db2.gz ISIIRFWZLLDUGC-UHFFFAOYSA-N -1 3 334.391 2.321 20 10 EECDHM CC(=O)c1cc(F)cc(CN(C)CCN2C[C@@H](C)O[C@@H](C)C2)c1[O-] ZINC000195325331 464041453 /nfs/dbraw/zinc/04/14/53/464041453.db2.gz OYHQQIWGUAORRC-BETUJISGSA-N -1 3 338.423 2.275 20 10 EECDHM CS(=O)(=O)C[C@@H]1CCN(Cc2cc(Br)ccc2[O-])C1 ZINC000292737992 464325680 /nfs/dbraw/zinc/32/56/80/464325680.db2.gz HCFNGRMIHGTFCJ-SNVBAGLBSA-N -1 3 348.262 2.021 20 10 EECDHM CC(C)(C)OC(=O)N[C@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000274991286 464760776 /nfs/dbraw/zinc/76/07/76/464760776.db2.gz MURGHADEYXDMAW-NSHDSACASA-N -1 3 336.388 2.227 20 10 EECDHM CC(=O)c1cc(F)cc(CN2CCN(C(=O)C(C)(C)C)CC2)c1[O-] ZINC000177250960 464968783 /nfs/dbraw/zinc/96/87/83/464968783.db2.gz GSNCEKUPNJSUAI-UHFFFAOYSA-N -1 3 336.407 2.424 20 10 EECDHM CCCOc1ccc(CN2CC[C@H](C)S(=O)(=O)CC2)c([O-])c1 ZINC000192049961 528664853 /nfs/dbraw/zinc/66/48/53/528664853.db2.gz MAJYIVNMRJRZLX-ZDUSSCGKSA-N -1 3 327.446 2.190 20 10 EECDHM O=C(c1cc([O-])cs1)N1CCN(CCOc2ccccc2)CC1 ZINC000731864151 577128572 /nfs/dbraw/zinc/12/85/72/577128572.db2.gz LVZICJITUIQSHY-UHFFFAOYSA-N -1 3 332.425 2.291 20 10 EECDHM O=C(NCCN1CCN(c2ccc(F)cc2)CC1)c1cc([O-])cs1 ZINC000731868945 577130837 /nfs/dbraw/zinc/13/08/37/577130837.db2.gz FSHOFZZIOVOTGK-UHFFFAOYSA-N -1 3 349.431 2.145 20 10 EECDHM COC(=O)CN(Cc1cnn(C)c1C)Cc1cc(Cl)ccc1[O-] ZINC000766885468 577526441 /nfs/dbraw/zinc/52/64/41/577526441.db2.gz PYBUSJDHFYYFNZ-UHFFFAOYSA-N -1 3 337.807 2.263 20 10 EECDHM CN(Cc1ccc([S@](C)=O)cc1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768464396 577556444 /nfs/dbraw/zinc/55/64/44/577556444.db2.gz QMMZFDYZTCCJNI-OSPHWJPCSA-N -1 3 347.436 2.187 20 10 EECDHM O=C(N[C@H]1CCN(CCCc2ccccc2)C1=O)c1cc([O-])cs1 ZINC000750250353 577989332 /nfs/dbraw/zinc/98/93/32/577989332.db2.gz QTRIREBWQDOWQV-HNNXBMFYSA-N -1 3 344.436 2.417 20 10 EECDHM CCN1C(=O)C(=Cc2ccc(-c3nnn[n-]3)cc2F)SC1=S ZINC000821239678 607453712 /nfs/dbraw/zinc/45/37/12/607453712.db2.gz BXYKVRPGRYZCDS-UXBLZVDNSA-N -1 3 335.389 2.227 20 10 EECDHM CCN1C(=O)C(=Cc2ccc(-c3nn[n-]n3)cc2F)SC1=S ZINC000821239678 607453714 /nfs/dbraw/zinc/45/37/14/607453714.db2.gz BXYKVRPGRYZCDS-UXBLZVDNSA-N -1 3 335.389 2.227 20 10 EECDHM CC[C@@H](C)N1CCC2(CCN(C(=O)c3cccc(O)c3[O-])CC2)C1=O ZINC001269685331 1184509974 /nfs/dbraw/zinc/50/99/74/1184509974.db2.gz BDKIOIDPISZKEZ-CYBMUJFWSA-N -1 3 346.427 2.351 20 10 EECDHM CCCCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)c1cccc(O)c1[O-] ZINC001269685672 1184510321 /nfs/dbraw/zinc/51/03/21/1184510321.db2.gz DULBZOXVOOWDHT-ZIAGYGMSSA-N -1 3 332.400 2.103 20 10 EECDHM C[C@H](CS(C)(=O)=O)N(C)Cc1ccc(Br)cc1[O-] ZINC000688549670 1210594275 /nfs/dbraw/zinc/59/42/75/1210594275.db2.gz GYPXAQJDSKHUHA-SECBINFHSA-N -1 3 336.251 2.020 20 10 EECDHM Cc1cc(CN2CC3(C2)CS(=O)C3)c([O-])cc1Br ZINC001250120704 1278582016 /nfs/dbraw/zinc/58/20/16/1278582016.db2.gz NNKIPULYSTUMNP-UHFFFAOYSA-N -1 3 330.247 2.027 20 10 EECDHM COC(=O)N1CCN(Cc2ccc(Br)cc2[O-])CC1 ZINC000691679274 1280267807 /nfs/dbraw/zinc/26/78/07/1280267807.db2.gz QMJSSDAGRHDKKP-UHFFFAOYSA-N -1 3 329.194 2.039 20 10 EECDHM C[C@@H]([N-]S(=O)(=O)c1ccc(F)nc1F)c1ccc(N(C)C)cc1 ZINC000867126480 1283690389 /nfs/dbraw/zinc/69/03/89/1283690389.db2.gz ZOOMUPCDJOOVRK-SNVBAGLBSA-N -1 3 341.383 2.465 20 10 EECDHM CN1CCCc2cc(CNC(=O)c3nnc4ccccc4c3[O-])ccc21 ZINC000111586859 1292447230 /nfs/dbraw/zinc/44/72/30/1292447230.db2.gz HDGRRGASCLTYJO-UHFFFAOYSA-N -1 3 348.406 2.236 20 10 EECDHM CN(C)C(=O)[C@H]1CC12CN(Cc1cc(Br)ccc1[O-])C2 ZINC001277457723 1303237612 /nfs/dbraw/zinc/23/76/12/1303237612.db2.gz PHJHJTWXVWTLTN-GFCCVEGCSA-N -1 3 339.233 2.065 20 10 EECDHM CNC(=O)[C@@H]1CCCCN1Cc1ccc(Br)cc1[O-] ZINC000691675966 1303786096 /nfs/dbraw/zinc/78/60/96/1303786096.db2.gz JZSTXVVKCIWZTL-LBPRGKRZSA-N -1 3 327.222 2.255 20 10 EECDHM CC(C)(C)OC(=O)N[C@]12C[C@H]1CN(Cc1ccc(C(=O)[O-])cc1O)C2 ZINC001231451331 1303800379 /nfs/dbraw/zinc/80/03/79/1303800379.db2.gz XKBNVFJYDXLLJC-UGSOOPFHSA-N -1 3 348.399 2.189 20 10 EECDHM CC(C)(C)OC(=O)N[C@]12C[C@H]1C[N@H+](Cc1ccc(C(=O)[O-])cc1[O-])C2 ZINC001231451331 1303800386 /nfs/dbraw/zinc/80/03/86/1303800386.db2.gz XKBNVFJYDXLLJC-UGSOOPFHSA-N -1 3 348.399 2.189 20 10 EECDHM CC(C)(C)OC(=O)N[C@]12C[C@H]1C[N@@H+](Cc1ccc(C(=O)[O-])cc1[O-])C2 ZINC001231451331 1303800392 /nfs/dbraw/zinc/80/03/92/1303800392.db2.gz XKBNVFJYDXLLJC-UGSOOPFHSA-N -1 3 348.399 2.189 20 10 EECDHM CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccc(C(=O)[O-])cc1[O-])C2 ZINC001231451359 1303800973 /nfs/dbraw/zinc/80/09/73/1303800973.db2.gz YKPAUKCPUXCMPS-MAUKXSAKSA-N -1 3 335.400 2.250 20 10 EECDHM CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ccc(C(=O)[O-])cc1[O-])C2 ZINC001231451359 1303800977 /nfs/dbraw/zinc/80/09/77/1303800977.db2.gz YKPAUKCPUXCMPS-MAUKXSAKSA-N -1 3 335.400 2.250 20 10 EECDHM CCOC(=O)[C@H]1CN(Cc2cc(Cl)c(C)cc2[O-])CCC1=O ZINC001231868324 1303935164 /nfs/dbraw/zinc/93/51/64/1303935164.db2.gz TVWWZXFZIDEWKX-LBPRGKRZSA-N -1 3 325.792 2.308 20 10 EECDHM Cc1cc([O-])c(CN2C[C@@H]3COC[C@H](C2)C3=O)cc1Br ZINC001237684121 1306046091 /nfs/dbraw/zinc/04/60/91/1306046091.db2.gz GZUNTQLAMNYFEZ-TXEJJXNPSA-N -1 3 340.217 2.110 20 10 EECDHM [O-]c1c(I)cccc1CN1CCCC[C@H](O)C1 ZINC001237778662 1306086949 /nfs/dbraw/zinc/08/69/49/1306086949.db2.gz ZCNPMUXHWPIAHA-NSHDSACASA-N -1 3 347.196 2.344 20 10 EECDHM CC(C)(C)OC(=O)N1C[C@@H]2CCN(C(=O)c3cccc(O)c3[O-])[C@@H]2C1 ZINC000837140545 1315056640 /nfs/dbraw/zinc/05/66/40/1315056640.db2.gz GTIFCKUZKWOCJN-WCQYABFASA-N -1 3 348.399 2.179 20 10 EECDHM C[C@@H](CC(C)(C)C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000837228666 1315063314 /nfs/dbraw/zinc/06/33/14/1315063314.db2.gz NNIDXYWXWWCIDX-JTQLQIEISA-N -1 3 328.434 2.318 20 10 EECDHM CCOC(=O)c1ncn2c1CN(Cc1cc(Cl)ccc1[O-])CC2 ZINC001203652057 1321933299 /nfs/dbraw/zinc/93/32/99/1321933299.db2.gz ZSSPDUIDRXGPET-UHFFFAOYSA-N -1 3 335.791 2.435 20 10 EECDHM COc1cccc(CC[NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2[O-])c1 ZINC001605317671 1351134873 /nfs/dbraw/zinc/13/48/73/1351134873.db2.gz UBXFBIRNRNHCGM-LBPRGKRZSA-N -1 3 339.399 2.474 20 10 EECDHM Cn1ccnc1[C@H](O)C1CCN(Cc2cc(F)c(F)cc2[O-])CC1 ZINC001308576289 1331599515 /nfs/dbraw/zinc/59/95/15/1331599515.db2.gz OJLDGLYALUWWNI-MRXNPFEDSA-N -1 3 337.370 2.350 20 10 EECDHM O=C([O-])c1cnn2c1[nH]c(CN1CC[C@@H]3CCCC[C@H]3C1)cc2=O ZINC001326538700 1334111558 /nfs/dbraw/zinc/11/15/58/1334111558.db2.gz DRJHUHHBLGCVKK-RYUDHWBXSA-N -1 3 330.388 2.145 20 10 EECDHM O=C(NCc1ccc(N2CCCC2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC001609555517 1352015828 /nfs/dbraw/zinc/01/58/28/1352015828.db2.gz VRDHKROXKGKJRE-UHFFFAOYSA-N -1 3 348.410 2.397 20 10 EECDHM O=C(NCc1ccc(N2CCCC2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC001609555517 1352015833 /nfs/dbraw/zinc/01/58/33/1352015833.db2.gz VRDHKROXKGKJRE-UHFFFAOYSA-N -1 3 348.410 2.397 20 10 EECDHM CC(=O)c1ccc(-c2nnn[n-]2)c(NCCc2ccc(O)c(O)c2)c1 ZINC001588908367 1348946340 /nfs/dbraw/zinc/94/63/40/1348946340.db2.gz QBRDIWGTCIKIDA-UHFFFAOYSA-N -1 3 339.355 2.135 20 10 EECDHM CC(=O)c1ccc(-c2nn[n-]n2)c(NCCc2ccc(O)c(O)c2)c1 ZINC001588908367 1348946342 /nfs/dbraw/zinc/94/63/42/1348946342.db2.gz QBRDIWGTCIKIDA-UHFFFAOYSA-N -1 3 339.355 2.135 20 10 EECDHM CC(C)(C(=O)N1Cc2cccc(O)c2C1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589044266 1348954780 /nfs/dbraw/zinc/95/47/80/1348954780.db2.gz SBDRMNXDLMVRBF-UHFFFAOYSA-N -1 3 349.394 2.392 20 10 EECDHM CC(C)(C(=O)N1Cc2cccc(O)c2C1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589044266 1348954784 /nfs/dbraw/zinc/95/47/84/1348954784.db2.gz SBDRMNXDLMVRBF-UHFFFAOYSA-N -1 3 349.394 2.392 20 10 EECDHM C[C@@H]([NH2+]Cc1ccc([C@H](C)O)cc1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590002739 1349102417 /nfs/dbraw/zinc/10/24/17/1349102417.db2.gz GTJHBTORVFOZSH-NEPJUHHUSA-N -1 3 339.399 2.476 20 10 EECDHM CC[C@@H]([NH2+]CCC1CC(OC)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590466644 1349341412 /nfs/dbraw/zinc/34/14/12/1349341412.db2.gz LCLNLFXCCXWBSP-KOHJWAIASA-N -1 3 331.420 2.428 20 10 EECDHM CN(C)c1ccc(CN(c2cc(-c3nnn[n-]3)ccn2)C2CC2)cc1 ZINC001591031067 1349431626 /nfs/dbraw/zinc/43/16/26/1349431626.db2.gz BEGGBDFUYVLUEX-UHFFFAOYSA-N -1 3 335.415 2.497 20 10 EECDHM CN(C)c1ccc(CN(c2cc(-c3nn[n-]n3)ccn2)C2CC2)cc1 ZINC001591031067 1349431633 /nfs/dbraw/zinc/43/16/33/1349431633.db2.gz BEGGBDFUYVLUEX-UHFFFAOYSA-N -1 3 335.415 2.497 20 10 EECDHM Oc1ccc(O)c(CNc2ncc(-c3nnn[n-]3)c3ccsc32)c1 ZINC001593539842 1349836105 /nfs/dbraw/zinc/83/61/05/1349836105.db2.gz IXEBVUOSQWOWDQ-UHFFFAOYSA-N -1 3 340.368 2.500 20 10 EECDHM Oc1ccc(O)c(CNc2ncc(-c3nn[n-]n3)c3ccsc32)c1 ZINC001593539842 1349836107 /nfs/dbraw/zinc/83/61/07/1349836107.db2.gz IXEBVUOSQWOWDQ-UHFFFAOYSA-N -1 3 340.368 2.500 20 10 EECDHM Cc1ccc(O)c(CNC(=O)Nc2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC001605875511 1351244016 /nfs/dbraw/zinc/24/40/16/1351244016.db2.gz HQODCIMJSYVVAS-UHFFFAOYSA-N -1 3 342.334 2.342 20 10 EECDHM Cc1ccc(O)c(CNC(=O)Nc2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC001605875511 1351244019 /nfs/dbraw/zinc/24/40/19/1351244019.db2.gz HQODCIMJSYVVAS-UHFFFAOYSA-N -1 3 342.334 2.342 20 10 EECDHM Cc1cccc([C@@H](O)C[NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2[O-])c1 ZINC001605907951 1351251232 /nfs/dbraw/zinc/25/12/32/1351251232.db2.gz RYNRIUVHOUCOLD-LRDDRELGSA-N -1 3 339.399 2.265 20 10 EECDHM CNC(=O)[C@H]1CCCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000894020049 780409310 /nfs/dbraw/zinc/40/93/10/780409310.db2.gz LHZXFBNJOXBNOJ-VIFPVBQESA-N -1 3 345.212 2.252 20 10 EECDHM Cn1ccnc1[C@@H](O)C1CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000894030442 780447407 /nfs/dbraw/zinc/44/74/07/780447407.db2.gz HKQHIWRJNLWFQG-INIZCTEOSA-N -1 3 337.370 2.350 20 10 EECDHM CC(C)C(=O)NCCN(C)Cc1cc(Br)cc(F)c1[O-] ZINC000894093534 780514211 /nfs/dbraw/zinc/51/42/11/780514211.db2.gz FKULTZGEVBIBMQ-UHFFFAOYSA-N -1 3 347.228 2.498 20 10 EECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC(C3CC3)CC2)c1 ZINC000816905330 784349358 /nfs/dbraw/zinc/34/93/58/784349358.db2.gz XQIOKGKGPAEIBZ-UHFFFAOYSA-N -1 3 338.429 2.026 20 10 EECDHM CCOCCOC1CN(Cc2ccc(Br)cc2[O-])C1 ZINC000825441331 788634283 /nfs/dbraw/zinc/63/42/83/788634283.db2.gz OIWYOFZUJHXTNS-UHFFFAOYSA-N -1 3 330.222 2.392 20 10 EECDHM Oc1ccc(Br)cc1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001171178161 789745208 /nfs/dbraw/zinc/74/52/08/789745208.db2.gz RJOXMYJBTLFIDQ-UHFFFAOYSA-N -1 3 347.176 2.342 20 10 EECDHM Oc1ccc(Br)cc1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001171178161 789745209 /nfs/dbraw/zinc/74/52/09/789745209.db2.gz RJOXMYJBTLFIDQ-UHFFFAOYSA-N -1 3 347.176 2.342 20 10 EECDHM CN(C)c1ccc(CN/C=C2/C(=O)[N-]C(=O)c3ccccc32)cc1F ZINC000058469019 789903871 /nfs/dbraw/zinc/90/38/71/789903871.db2.gz CDYNCYXXMVFQSV-RVDMUPIBSA-N -1 3 339.370 2.292 20 10 EECDHM COC[C@H]1COCCC12CCN(C(=O)c1cccc(O)c1[O-])CC2 ZINC001148213416 792246540 /nfs/dbraw/zinc/24/65/40/792246540.db2.gz ADNSUDIHRYHXNO-ZDUSSCGKSA-N -1 3 335.400 2.003 20 10 EECDHM O=C(N[C@@H]1CCOc2c(F)cc(F)cc21)c1cc(O)c([O-])c(O)c1 ZINC001148590114 792573870 /nfs/dbraw/zinc/57/38/70/792573870.db2.gz BRKYVSLIAPKJSD-LLVKDONJSA-N -1 3 337.278 2.335 20 10 EECDHM O=C(c1cc(O)c([O-])c(O)c1)N1CCc2c([nH]nc2C(F)(F)F)C1 ZINC001148588678 792573983 /nfs/dbraw/zinc/57/39/83/792573983.db2.gz ZSXVOJOOKLSABC-LBPRGKRZSA-N -1 3 343.261 2.300 20 10 EECDHM Cc1cccc(NC(=O)CN(C)C(=O)c2cccc(O)c2[O-])c1C ZINC000186872995 802889040 /nfs/dbraw/zinc/88/90/40/802889040.db2.gz LIQIFXNVZLPJJH-UHFFFAOYSA-N -1 3 328.368 2.425 20 10 EECDHM CCOC(=O)N1CCC([C@H](C)NC(=O)c2cccc(O)c2[O-])CC1 ZINC000790942753 808998015 /nfs/dbraw/zinc/99/80/15/808998015.db2.gz CJHLXJVIWLSLEC-NSHDSACASA-N -1 3 336.388 2.085 20 10 EECDHM CO[C@@]1(C(=O)[O-])CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000859819401 979652008 /nfs/dbraw/zinc/65/20/08/979652008.db2.gz ILEJXYXEKYUDRZ-HNNXBMFYSA-N -1 3 346.349 2.447 20 10 EECDHM CCCNC(=O)C1CCN(Cc2cc(F)cc(C(C)=O)c2[O-])CC1 ZINC000079398478 463210465 /nfs/dbraw/zinc/21/04/65/463210465.db2.gz OIFNWJWGPXGHKW-UHFFFAOYSA-N -1 3 336.407 2.472 20 10 EECDHM C[C@H]1CCC[C@@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000055217943 463296894 /nfs/dbraw/zinc/29/68/94/463296894.db2.gz FBUHZDYMIPOYIH-WDEREUQCSA-N -1 3 326.418 2.072 20 10 EECDHM CC[C@H](CN1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O)OC ZINC000291149980 464146068 /nfs/dbraw/zinc/14/60/68/464146068.db2.gz OXNVEYFHYTYPSV-GFCCVEGCSA-N -1 3 326.780 2.235 20 10 EECDHM C[C@@H]1CN(C(=O)C(C)(C)C)C[C@@H](C)N1C(=O)c1cccc(O)c1[O-] ZINC000293756725 464419892 /nfs/dbraw/zinc/41/98/92/464419892.db2.gz TVYBKBFDVKLRCO-VXGBXAGGSA-N -1 3 334.416 2.205 20 10 EECDHM Cc1ccc(C(=O)N2CC[C@H](OCc3ccncc3)C2)c([O-])c1O ZINC000182453619 464660140 /nfs/dbraw/zinc/66/01/40/464660140.db2.gz KXUYLARYRZNPHV-AWEZNQCLSA-N -1 3 328.368 2.233 20 10 EECDHM COC(=O)[C@H]1c2ccccc2CCN1C(=O)c1ccc(C)c(O)c1[O-] ZINC000272726005 464686620 /nfs/dbraw/zinc/68/66/20/464686620.db2.gz ITUYBKKROCLTJF-OAHLLOKOSA-N -1 3 341.363 2.319 20 10 EECDHM C[C@H](N[C@@H]1CCN(CC(F)(F)F)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273517961 464719898 /nfs/dbraw/zinc/71/98/98/464719898.db2.gz SXLCWBHZUBGTDF-GZMMTYOYSA-N -1 3 347.293 2.114 20 10 EECDHM C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cccc(O)c1[O-] ZINC000275090503 464763486 /nfs/dbraw/zinc/76/34/86/464763486.db2.gz GSXMOIQJCFYNMT-LLVKDONJSA-N -1 3 336.388 2.179 20 10 EECDHM C[C@H](CNC(=O)c1c(F)ccc(O)c1[O-])N1CCc2ccccc2C1 ZINC000276535514 464971155 /nfs/dbraw/zinc/97/11/55/464971155.db2.gz IDQUPEVGAQCLHS-GFCCVEGCSA-N -1 3 344.386 2.414 20 10 EECDHM Cc1ccc(C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c([O-])c1O ZINC000372733318 466561419 /nfs/dbraw/zinc/56/14/19/466561419.db2.gz WSXZBSFQOQWCCG-UHFFFAOYSA-N -1 3 344.323 2.218 20 10 EECDHM CC(C)C(=O)NCCN(C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000092103936 527499448 /nfs/dbraw/zinc/49/94/48/527499448.db2.gz WCRGJESBXJKPKT-UHFFFAOYSA-N -1 3 329.784 2.158 20 10 EECDHM CCOC(=O)[C@H]1CCCN(C(=O)[C@@H](C)N(C)Cc2ccccc2[O-])C1 ZINC000111236254 528059963 /nfs/dbraw/zinc/05/99/63/528059963.db2.gz XGRWYBCEKASKDS-ZBFHGGJFSA-N -1 3 348.443 2.014 20 10 EECDHM COc1ccccc1CNC(=O)[C@H](C)OC(=O)c1cc([O-])cs1 ZINC000731909630 577132664 /nfs/dbraw/zinc/13/26/64/577132664.db2.gz GVMZCUMLRKJQCE-JTQLQIEISA-N -1 3 335.381 2.324 20 10 EECDHM O=C(c1cc([O-])cs1)N1CCN(Cc2cn3ccccc3n2)CC1 ZINC000732262755 577161572 /nfs/dbraw/zinc/16/15/72/577161572.db2.gz XWOOZWZDWDMMNL-UHFFFAOYSA-N -1 3 342.424 2.059 20 10 EECDHM C[C@H]1CCCC[C@H]1OCCNC(=O)COC(=O)c1cc([O-])cs1 ZINC000732353645 577174803 /nfs/dbraw/zinc/17/48/03/577174803.db2.gz IULUEQAFUHSVPI-WCQYABFASA-N -1 3 341.429 2.322 20 10 EECDHM COc1ccc(NC(=O)COC(=O)c2cc([O-])cs2)cc1OC ZINC000732354982 577174960 /nfs/dbraw/zinc/17/49/60/577174960.db2.gz YNSCKKOIZXTYQM-UHFFFAOYSA-N -1 3 337.353 2.266 20 10 EECDHM [O-]c1c(F)cc(Cl)cc1CN1CCC[C@H]1CN1CCOCC1 ZINC000775659589 577442007 /nfs/dbraw/zinc/44/20/07/577442007.db2.gz KOJDPXIIDIIYBB-AWEZNQCLSA-N -1 3 328.815 2.481 20 10 EECDHM COc1cc(S(=O)(=O)[N-]c2ccc(O)cc2F)cnc1Cl ZINC000767474034 577537741 /nfs/dbraw/zinc/53/77/41/577537741.db2.gz UAINUUDYADRXLO-UHFFFAOYSA-N -1 3 332.740 2.389 20 10 EECDHM CN(C)c1ccc(CN(C)C(=O)c2cc(F)cc3[n-]nnc32)cc1 ZINC000763992925 577729398 /nfs/dbraw/zinc/72/93/98/577729398.db2.gz IITVFISLNQQDEU-UHFFFAOYSA-N -1 3 327.363 2.435 20 10 EECDHM CN(C)c1ccc(CN(C)C(=O)c2cc(F)cc3nn[n-]c32)cc1 ZINC000763992925 577729399 /nfs/dbraw/zinc/72/93/99/577729399.db2.gz IITVFISLNQQDEU-UHFFFAOYSA-N -1 3 327.363 2.435 20 10 EECDHM CN(C)c1ccc(CN(C)C(=O)c2cc(F)cc3n[n-]nc32)cc1 ZINC000763992925 577729400 /nfs/dbraw/zinc/72/94/00/577729400.db2.gz IITVFISLNQQDEU-UHFFFAOYSA-N -1 3 327.363 2.435 20 10 EECDHM C[C@@H](NCc1cccc(OCC(N)=O)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756611358 577847505 /nfs/dbraw/zinc/84/75/05/577847505.db2.gz SECAQMCVWYLORM-LLVKDONJSA-N -1 3 345.355 2.015 20 10 EECDHM COC[C@@](C)(CC(=O)OC)NCc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000757927513 577866627 /nfs/dbraw/zinc/86/66/27/577866627.db2.gz XLLBCTGTMFZMPB-CQSZACIVSA-N -1 3 346.767 2.012 20 10 EECDHM COc1cc(Br)cc(CN2CC[C@H](C(=O)[O-])C2)c1O ZINC000820754453 598129269 /nfs/dbraw/zinc/12/92/69/598129269.db2.gz DLJCPEZQVHJWTL-QMMMGPOBSA-N -1 3 330.178 2.070 20 10 EECDHM CN(C)c1ccc2c(c1)OCCN2Cc1ccccc1-c1nnn[n-]1 ZINC000821589625 606091723 /nfs/dbraw/zinc/09/17/23/606091723.db2.gz WKCKHKRDPBCRCG-UHFFFAOYSA-N -1 3 336.399 2.332 20 10 EECDHM CN(C)c1ccc2c(c1)OCCN2Cc1ccccc1-c1nn[n-]n1 ZINC000821589625 606091727 /nfs/dbraw/zinc/09/17/27/606091727.db2.gz WKCKHKRDPBCRCG-UHFFFAOYSA-N -1 3 336.399 2.332 20 10 EECDHM CN(Cc1ccccc1O)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821615880 606694108 /nfs/dbraw/zinc/69/41/08/606694108.db2.gz SHNNOGNVIAYGOG-UHFFFAOYSA-N -1 3 345.309 2.123 20 10 EECDHM CN(Cc1ccccc1O)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821615880 606694109 /nfs/dbraw/zinc/69/41/09/606694109.db2.gz SHNNOGNVIAYGOG-UHFFFAOYSA-N -1 3 345.309 2.123 20 10 EECDHM CCS(=O)(=O)N1CCN(Cc2cc(Cl)c(C)cc2[O-])[C@H](C)C1 ZINC000825901249 1199735038 /nfs/dbraw/zinc/73/50/38/1199735038.db2.gz XITIPWPPPXCPPB-GFCCVEGCSA-N -1 3 346.880 2.210 20 10 EECDHM CC(=O)c1cc(F)cc(CN[C@@H](c2nccn2C)C(C)(C)CO)c1[O-] ZINC000878874446 1200724785 /nfs/dbraw/zinc/72/47/85/1200724785.db2.gz JYOHWUZBKMTXNN-INIZCTEOSA-N -1 3 349.406 2.317 20 10 EECDHM [O-]c1cc(F)cc(F)c1CN1CC[C@H]2CN(Cc3cn[nH]c3)C[C@H]21 ZINC001275306201 1205304474 /nfs/dbraw/zinc/30/44/74/1205304474.db2.gz CBZCIQKXWXAYMB-BLLLJJGKSA-N -1 3 334.370 2.100 20 10 EECDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1ccncn1 ZINC000779000958 1208432704 /nfs/dbraw/zinc/43/27/04/1208432704.db2.gz NAPMQDWDZYONOC-CQSZACIVSA-N -1 3 346.818 2.230 20 10 EECDHM O=C(/C=C/c1ccccc1)NCCCNC(=O)c1cccc(O)c1[O-] ZINC000800684918 1234433917 /nfs/dbraw/zinc/43/39/17/1234433917.db2.gz RZBWBMURJJSWIU-ZHACJKMWSA-N -1 3 340.379 2.047 20 10 EECDHM [O-]c1c(Cl)cccc1CN1C[C@@H]2COC[C@H](C1)N2Cc1ccc[nH]1 ZINC001276380329 1249969110 /nfs/dbraw/zinc/96/91/10/1249969110.db2.gz PKXFGPAZBYJSMN-IYBDPMFKSA-N -1 3 347.846 2.459 20 10 EECDHM O=S(=O)([N-]Cc1ccc(Br)cc1O)c1ccco1 ZINC001186874468 1279279091 /nfs/dbraw/zinc/27/90/91/1279279091.db2.gz BGUZNPZMJKFZNX-UHFFFAOYSA-N -1 3 332.175 2.226 20 10 EECDHM CC(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(C(=O)[O-])cc1[O-] ZINC001273708680 1283817611 /nfs/dbraw/zinc/81/76/11/1283817611.db2.gz ZUNVCSRYMMVMCV-HZPDHXFCSA-N -1 3 346.427 2.312 20 10 EECDHM CC(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(C(=O)[O-])cc1[O-] ZINC001273708680 1283817621 /nfs/dbraw/zinc/81/76/21/1283817621.db2.gz ZUNVCSRYMMVMCV-HZPDHXFCSA-N -1 3 346.427 2.312 20 10 EECDHM CC(C)NC(=O)N1CC[C@H]2[C@@H]1CCN2Cc1ccc(F)c(F)c1[O-] ZINC001276856719 1299953806 /nfs/dbraw/zinc/95/38/06/1299953806.db2.gz GKKHWFDVLVPFJQ-KBPBESRZSA-N -1 3 339.386 2.437 20 10 EECDHM C[C@H](CN(C)C)Oc1cccc2c1C(=O)c1c([O-])cccc1C2=O ZINC001226379336 1301387548 /nfs/dbraw/zinc/38/75/48/1301387548.db2.gz CJPMWOJDNWLHJO-LLVKDONJSA-N -1 3 325.364 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[O-]c1c(F)ccc(F)c1CN1C[C@@H]2OCCN(C3CCCC3)[C@H]2C1 ZINC001275363054 1205322558 /nfs/dbraw/zinc/32/25/58/1205322558.db2.gz SBFZEOJSZAORRA-IRXDYDNUSA-N -1 3 338.398 2.498 20 10 EECDHM CC(=O)c1cc(F)cc(CN2CCN(CC(C)C)C(=O)[C@@H]2C)c1[O-] ZINC000778265144 1208022259 /nfs/dbraw/zinc/02/22/59/1208022259.db2.gz JPNQNAOAVGLULJ-LBPRGKRZSA-N -1 3 336.407 2.423 20 10 EECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N(C2CC2)C2CCCC2)c1 ZINC000094106985 1215000807 /nfs/dbraw/zinc/00/08/07/1215000807.db2.gz DSIABBASBGMLDU-UHFFFAOYSA-N -1 3 338.429 2.311 20 10 EECDHM CC[C@@H](C)N1CC[C@]2(CC[N@H+](Cc3cc(C(=O)[O-])ccc3[O-])C2)C1=O ZINC001273740445 1284523173 /nfs/dbraw/zinc/52/31/73/1284523173.db2.gz MXYQSSCGMNXSCC-YJYMSZOUSA-N -1 3 346.427 2.313 20 10 EECDHM CC[C@@H](C)N1CC[C@]2(CC[N@@H+](Cc3cc(C(=O)[O-])ccc3[O-])C2)C1=O ZINC001273740445 1284523181 /nfs/dbraw/zinc/52/31/81/1284523181.db2.gz MXYQSSCGMNXSCC-YJYMSZOUSA-N -1 3 346.427 2.313 20 10 EECDHM CC(C)(C)OC(=O)N1CC[C@](C)(NC(=O)c2cccc(O)c2[O-])C1 ZINC000856503192 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CN(C)C(=O)Nc1ccc(CNC(=O)c2cccc(O)c2[O-])cc1 ZINC000794366387 810795448 /nfs/dbraw/zinc/79/54/48/810795448.db2.gz QOHBNANMRFLDPR-UHFFFAOYSA-N -1 3 329.356 2.121 20 10 EECDHM C[C@H]([NH2+]C[C@@H]1CC[C@@]2(CO[C@H](C)C2)O1)c1cc(C(=O)[O-])ccc1[O-] ZINC001594285349 999105554 /nfs/dbraw/zinc/10/55/54/999105554.db2.gz RMXFKNHQWQYIDR-BKTMZONDSA-N -1 3 335.400 2.468 20 10 EECDHM COCc1ccccc1CNC(=O)CN(C)Cc1ccccc1[O-] ZINC000111235054 237138375 /nfs/dbraw/zinc/13/83/75/237138375.db2.gz VMQMYDKDFZAIRR-UHFFFAOYSA-N -1 3 328.412 2.287 20 10 EECDHM Cc1cc(NC(=O)c2cccc(O)c2[O-])ccc1N1CCOCC1 ZINC000193159475 237371569 /nfs/dbraw/zinc/37/15/69/237371569.db2.gz ZQSSKTDKHKETFO-UHFFFAOYSA-N -1 3 328.368 2.495 20 10 EECDHM CCCOc1ccc(CN2C[C@H](C)S(=O)(=O)[C@@H](C)C2)c([O-])c1 ZINC000290935374 464137690 /nfs/dbraw/zinc/13/76/90/464137690.db2.gz PIIQXSVKMXINHA-STQMWFEESA-N -1 3 327.446 2.188 20 10 EECDHM Cc1ccc(C(=O)NCCCCN2C[C@@H](C)O[C@H](C)C2)c([O-])c1O ZINC000179540141 464153984 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578260477 /nfs/dbraw/zinc/26/04/77/578260477.db2.gz HWYAQRBDUNYTKU-XQRVVYSFSA-N -1 3 344.375 2.447 20 10 EECDHM COC(=O)c1cc2ccccc2c(CN2CC[C@@](F)(C(=O)[O-])C2)c1O ZINC000831353316 601372445 /nfs/dbraw/zinc/37/24/45/601372445.db2.gz FQCPKHKXKPPLEB-SFHVURJKSA-N -1 3 347.342 2.331 20 10 EECDHM Cc1ccncc1C=CC(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826315361 609511025 /nfs/dbraw/zinc/51/10/25/609511025.db2.gz HIRPASIHCMAKLV-PLNGDYQASA-N -1 3 332.367 2.173 20 10 EECDHM Cc1ccncc1C=CC(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826315361 609511027 /nfs/dbraw/zinc/51/10/27/609511027.db2.gz HIRPASIHCMAKLV-PLNGDYQASA-N -1 3 332.367 2.173 20 10 EECDHM CC(=O)c1cc(F)cc(CN[C@H](c2nccn2C)C(C)(C)CO)c1[O-] ZINC000878874447 1200724284 /nfs/dbraw/zinc/72/42/84/1200724284.db2.gz JYOHWUZBKMTXNN-MRXNPFEDSA-N -1 3 349.406 2.317 20 10 EECDHM [O-]c1cc(F)c(F)cc1CN1C[C@@H]2COC[C@H](C1)N2C1CCCC1 ZINC001275775151 1205521739 /nfs/dbraw/zinc/52/17/39/1205521739.db2.gz WUKUUXNDRJSOOH-GASCZTMLSA-N -1 3 338.398 2.498 20 10 EECDHM COC1(CC(=O)N2CCC23CN(Cc2cc(F)ccc2[O-])C3)CCC1 ZINC001275906888 1205581799 /nfs/dbraw/zinc/58/17/99/1205581799.db2.gz OQPHZSVXLXXDDI-UHFFFAOYSA-N -1 3 348.418 2.277 20 10 EECDHM CC(C)CN1CCN(Cc2cc(Br)ccc2[O-])CC1=O ZINC000779199501 1209327582 /nfs/dbraw/zinc/32/75/82/1209327582.db2.gz BVYJOOSBZQWBFW-UHFFFAOYSA-N -1 3 341.249 2.455 20 10 EECDHM Cc1cccc([O-])c1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000858724549 1294202633 /nfs/dbraw/zinc/20/26/33/1294202633.db2.gz PXRAIDDTPYIAQR-UHFFFAOYSA-N -1 3 326.396 2.467 20 10 EECDHM CC(=O)N1CCN(Cc2cc(Br)ccc2[O-])C[C@H]1C ZINC001203649695 1321932222 /nfs/dbraw/zinc/93/22/22/1321932222.db2.gz AZOOAJACUIDKSL-SNVBAGLBSA-N -1 3 327.222 2.207 20 10 EECDHM CCOC(=O)[C@@H]1CN(Cc2cc(Cl)c(C)cc2[O-])CCC1=O ZINC001231868323 1303935215 /nfs/dbraw/zinc/93/52/15/1303935215.db2.gz TVWWZXFZIDEWKX-GFCCVEGCSA-N -1 3 325.792 2.308 20 10 EECDHM COCCOC1CN(Cc2cc(Br)c(OC)cc2[O-])C1 ZINC001233141152 1304374013 /nfs/dbraw/zinc/37/40/13/1304374013.db2.gz CGMWNHAKGKZTKS-UHFFFAOYSA-N -1 3 346.221 2.011 20 10 EECDHM O=C1CC(Oc2cc([O-])cc3oc4cc(O)c(O)cc4c(=O)c23)C1 ZINC001234748859 1305018910 /nfs/dbraw/zinc/01/89/10/1305018910.db2.gz MNJOGXCDQUCPLU-UHFFFAOYSA-N -1 3 328.276 2.173 20 10 EECDHM COc1cc([O-])c(CN2CCN(c3cc(C)ncn3)CC2)c(Cl)c1 ZINC001236806672 1305684091 /nfs/dbraw/zinc/68/40/91/1305684091.db2.gz YVZICDNFNJRTRQ-UHFFFAOYSA-N -1 3 348.834 2.475 20 10 EECDHM CC(C)(C)NC(=O)[C@@H]1CCC2(CN(Cc3cc(F)ccc3[O-])C2)O1 ZINC001278255066 1308920915 /nfs/dbraw/zinc/92/09/15/1308920915.db2.gz NKOADDFEBWHKHU-HNNXBMFYSA-N -1 3 336.407 2.179 20 10 EECDHM C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)c1cccc(O)c1[O-] ZINC001119327942 1309048346 /nfs/dbraw/zinc/04/83/46/1309048346.db2.gz RIYLBKKZTDVADU-GHMZBOCLSA-N -1 3 336.388 2.226 20 10 EECDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])C(=O)N1c2ccccc2C[C@@H]1C ZINC000837024546 1315048985 /nfs/dbraw/zinc/04/89/85/1315048985.db2.gz SVOTWUAYDHHVIE-NWDGAFQWSA-N -1 3 340.379 2.194 20 10 EECDHM CN(C)c1ccc([C@H](CNC(=O)c2ccc(C(=O)[O-])o2)N(C)C)cc1 ZINC001262502302 1322312275 /nfs/dbraw/zinc/31/22/75/1322312275.db2.gz KEKVYDWVTCDJTF-AWEZNQCLSA-N -1 3 345.399 2.077 20 10 EECDHM C[C@H](NCc1c([O-])ccc(Cl)c1F)C(=O)NCC(F)(F)F ZINC001320836317 1332962212 /nfs/dbraw/zinc/96/22/12/1332962212.db2.gz IUNWVDNHJWTQMH-LURJTMIESA-N -1 3 328.693 2.341 20 10 EECDHM C[C@H]([NH2+][C@H]1CCC[C@H](C(=O)N(C)C)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609781031 1352083448 /nfs/dbraw/zinc/08/34/48/1352083448.db2.gz VKNBFSIQNAFOMM-OBJOEFQTSA-N -1 3 334.416 2.388 20 10 EECDHM CN(C)c1ccc(CNC(=O)c2cc(=O)[n-]c(C3CC3)n2)cc1F ZINC000847405338 1338033510 /nfs/dbraw/zinc/03/35/10/1338033510.db2.gz GZKSUEKCDKKPDM-UHFFFAOYSA-N -1 3 330.363 2.195 20 10 EECDHM COc1ccc(N(C)C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001591606615 1349513837 /nfs/dbraw/zinc/51/38/37/1349513837.db2.gz QXBZGPZHCXEZFX-MRXNPFEDSA-N -1 3 325.372 2.045 20 10 EECDHM COc1ccc(N(C)C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001591606615 1349513842 /nfs/dbraw/zinc/51/38/42/1349513842.db2.gz 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Nc1ccc(NC(=O)Nc2ccc(NC(=O)c3c[n-]nn3)cc2)cc1 ZINC001189351299 1368351455 /nfs/dbraw/zinc/35/14/55/1368351455.db2.gz BWUOBUZSXZCGHN-UHFFFAOYSA-N -1 3 337.343 2.283 20 10 EECDHM Nc1ccc(NC(=O)Nc2ccc(NC(=O)c3cn[n-]n3)cc2)cc1 ZINC001189351299 1368351461 /nfs/dbraw/zinc/35/14/61/1368351461.db2.gz BWUOBUZSXZCGHN-UHFFFAOYSA-N -1 3 337.343 2.283 20 10 EECDHM COc1ccc(N2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)cc1F ZINC000853435978 1369334167 /nfs/dbraw/zinc/33/41/67/1369334167.db2.gz OUMZYJRZSVWIKX-UHFFFAOYSA-N -1 3 348.334 2.170 20 10 EECDHM CN(Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)Cc1ccccc1O ZINC001606160688 1404771222 /nfs/dbraw/zinc/77/12/22/1404771222.db2.gz XFZRKYXYZNBGFL-UHFFFAOYSA-N -1 3 346.339 2.396 20 10 EECDHM O=C(Nc1cccc(N2CCOCC2)c1)c1cc2c(cc1[O-])OCO2 ZINC000918371492 769066323 /nfs/dbraw/zinc/06/63/23/769066323.db2.gz JGTZDAJROAICTJ-UHFFFAOYSA-N -1 3 342.351 2.210 20 10 EECDHM COc1ccc(O)c(CN2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000179764530 774227787 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Cc1occc1-c1cc(NC(=O)c2cccc(O)c2[O-])n(CCO)n1 ZINC000790633404 808837967 /nfs/dbraw/zinc/83/79/67/808837967.db2.gz YNYOFUOQMRQFPS-UHFFFAOYSA-N -1 3 343.339 2.107 20 10 EECDHM CO[C@]1(C(=O)[O-])CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000859819402 979652185 /nfs/dbraw/zinc/65/21/85/979652185.db2.gz ILEJXYXEKYUDRZ-OAHLLOKOSA-N -1 3 346.349 2.447 20 10 EECDHM C[C@H]([NH2+][C@H]1CCCC[C@H]1N1CCOCC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593222221 994332294 /nfs/dbraw/zinc/33/22/94/994332294.db2.gz ILJHUCRAIHQVMR-RRQGHBQHSA-N -1 3 348.443 2.384 20 10 EECDHM C[C@H]([NH2+]CC(C)(C)C(=O)N1CCCC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593241298 994438374 /nfs/dbraw/zinc/43/83/74/994438374.db2.gz ZNWSDBFJPFVGHV-LBPRGKRZSA-N -1 3 334.416 2.390 20 10 EECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H]3CCC[C@@H]32)c1 ZINC000091682083 533421631 /nfs/dbraw/zinc/42/16/31/533421631.db2.gz UDFRPDYWCJCFTG-FZMZJTMJSA-N -1 3 338.429 2.168 20 10 EECDHM CC[C@@H](COC)N1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277318357 463909071 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CS[C@@H]1CN(Cc2cc(F)cc(C(C)=O)c2[O-])C[C@@H]1N(C)C ZINC000272042991 464459016 /nfs/dbraw/zinc/45/90/16/464459016.db2.gz OZYMIEWTVYJONQ-LSDHHAIUSA-N -1 3 326.437 2.211 20 10 EECDHM C[C@@H]1CN(Cc2ccc(OCc3ccccc3)cc2[O-])CC(=O)N1 ZINC000294983474 464670549 /nfs/dbraw/zinc/67/05/49/464670549.db2.gz KBBWWXYOHSJWMX-CQSZACIVSA-N -1 3 326.396 2.292 20 10 EECDHM Cc1ccc(C(=O)N2CCN(C(=O)c3ccsc3)CC2)c([O-])c1O ZINC000272888782 464693692 /nfs/dbraw/zinc/69/36/92/464693692.db2.gz YXJBDHQXIGUDGP-UHFFFAOYSA-N -1 3 346.408 2.066 20 10 EECDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)CC[C@@H](C)OC ZINC000272955589 464696354 /nfs/dbraw/zinc/69/63/54/464696354.db2.gz QYTDITIHJJWXAM-LLVKDONJSA-N -1 3 343.807 2.362 20 10 EECDHM CCc1nn(C)c(OC)c1CN[C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000273538313 464719264 /nfs/dbraw/zinc/71/92/64/464719264.db2.gz XTNSVXFOZDVTTO-LLVKDONJSA-N -1 3 347.415 2.334 20 10 EECDHM [O-]c1cc(OCc2ccccc2)ccc1CN1CCN(CCO)CC1 ZINC000182929228 464761283 /nfs/dbraw/zinc/76/12/83/464761283.db2.gz 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ZINC000367954433 466560536 /nfs/dbraw/zinc/56/05/36/466560536.db2.gz BNXBZOMDHUAHEA-UHFFFAOYSA-N -1 3 345.311 2.252 20 10 EECDHM Cc1ccccc1[C@H]1C(=O)NCCN1Cc1cc2c(cc1[O-])OCO2 ZINC000368281408 466594203 /nfs/dbraw/zinc/59/42/03/466594203.db2.gz BQXYBYHIVDVQKT-SFHVURJKSA-N -1 3 340.379 2.102 20 10 EECDHM COC(=O)[C@H]1C[C@@H](OC)CCN1Cc1cc(Cl)cc(OC)c1[O-] ZINC000368621788 466689191 /nfs/dbraw/zinc/68/91/91/466689191.db2.gz KHGQALXUNRZFAL-QWHCGFSZSA-N -1 3 343.807 2.207 20 10 EECDHM COc1cc(Cl)cc(CN2CCOC[C@H]2[C@H]2CCCO2)c1[O-] ZINC000377695788 467119378 /nfs/dbraw/zinc/11/93/78/467119378.db2.gz MTTKNUTXPKSKGS-UONOGXRCSA-N -1 3 327.808 2.434 20 10 EECDHM CCC(CC)(CC)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000091671260 528635944 /nfs/dbraw/zinc/63/59/44/528635944.db2.gz LPWKBCUZGHPTLB-UHFFFAOYSA-N -1 3 328.434 2.462 20 10 EECDHM Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)c2cc([O-])cs2)cc1 ZINC000776257054 577455895 /nfs/dbraw/zinc/45/58/95/577455895.db2.gz PTEULJFJZXKYPE-NSHDSACASA-N -1 3 339.438 2.354 20 10 EECDHM C[C@@H]1CN(C(=O)c2cc([O-])cs2)C[C@H]1NC(=O)OC(C)(C)C ZINC000765942401 577509615 /nfs/dbraw/zinc/50/96/15/577509615.db2.gz BFEIAQCHJPZDQA-MWLCHTKSSA-N -1 3 326.418 2.439 20 10 EECDHM [O-]c1cc2c(cc1CN1CCN(c3ccccc3F)CC1)[C@H](O)CO2 ZINC000768437648 577555505 /nfs/dbraw/zinc/55/55/05/577555505.db2.gz BUTYYRMDFCBNKC-GOSISDBHSA-N -1 3 344.386 2.279 20 10 EECDHM CCOc1ccc(CN2CCNC(=O)[C@H]2c2ccccc2)c([O-])c1 ZINC000769191725 577572048 /nfs/dbraw/zinc/57/20/48/577572048.db2.gz BTCDSJXVXHWXGD-GOSISDBHSA-N -1 3 326.396 2.464 20 10 EECDHM COCC1(O)CCN(Cc2cccc(Br)c2[O-])CC1 ZINC000769452193 577578151 /nfs/dbraw/zinc/57/81/51/577578151.db2.gz SBQYMYYVGINRED-UHFFFAOYSA-N -1 3 330.222 2.128 20 10 EECDHM CCN(CCNC(=O)c1ccc(C)c(O)c1[O-])C(=O)OC(C)(C)C ZINC000770484265 577597332 /nfs/dbraw/zinc/59/73/32/577597332.db2.gz BNWQACKNVUZVTE-UHFFFAOYSA-N -1 3 338.404 2.393 20 10 EECDHM C[C@@H](OC(=O)c1cc([O-])cs1)C(=O)c1ccc2c(c1)CC(=O)N2C ZINC000754931280 577816556 /nfs/dbraw/zinc/81/65/56/577816556.db2.gz 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COC(=O)N1CCCN(Cc2cc(Br)ccc2[O-])CC1 ZINC001203636055 1279058263 /nfs/dbraw/zinc/05/82/63/1279058263.db2.gz NZJLNCQZNRZMOZ-UHFFFAOYSA-N -1 3 343.221 2.429 20 10 EECDHM Cc1nocc1S(=O)(=O)[N-][C@H](C)Cc1ccc(N(C)C)cc1C ZINC000867408669 1289788115 /nfs/dbraw/zinc/78/81/15/1289788115.db2.gz AVWJMHWKGZPETJ-GFCCVEGCSA-N -1 3 337.445 2.267 20 10 EECDHM O=C([O-])c1ccc(C[N@H+]2CCC[C@@H](C(F)(F)F)[C@H]2CO)c([O-])c1 ZINC001231445789 1303798221 /nfs/dbraw/zinc/79/82/21/1303798221.db2.gz ATLIKZQZZDHMKQ-VXGBXAGGSA-N -1 3 333.306 2.226 20 10 EECDHM O=C([O-])c1ccc(C[N@@H+]2CCC[C@@H](C(F)(F)F)[C@H]2CO)c([O-])c1 ZINC001231445789 1303798223 /nfs/dbraw/zinc/79/82/23/1303798223.db2.gz ATLIKZQZZDHMKQ-VXGBXAGGSA-N -1 3 333.306 2.226 20 10 EECDHM Cc1ccnc(N2CCN(Cc3ccc(C(=O)[O-])cc3O)CC2)c1 ZINC001231452529 1303801858 /nfs/dbraw/zinc/80/18/58/1303801858.db2.gz QIDPASFWTFPMRK-UHFFFAOYSA-N -1 3 327.384 2.116 20 10 EECDHM O=C(c1ccccn1)N1CCN(Cc2cc(Cl)c([O-])cc2O)CC1 ZINC001232264618 1304058542 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CC(=CC(=O)N1CCCc2c(-c3nnn[n-]3)cccc21)c1cnccn1 ZINC001588760419 1348931755 /nfs/dbraw/zinc/93/17/55/1348931755.db2.gz PZQBGCKJAIAIGT-ZRDIBKRKSA-N -1 3 347.382 2.039 20 10 EECDHM CC(=CC(=O)N1CCCc2c(-c3nn[n-]n3)cccc21)c1cnccn1 ZINC001588760419 1348931758 /nfs/dbraw/zinc/93/17/58/1348931758.db2.gz PZQBGCKJAIAIGT-ZRDIBKRKSA-N -1 3 347.382 2.039 20 10 EECDHM CC[C@@H]([NH2+][C@H]1CC[C@@H](CO)CC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590471853 1349346404 /nfs/dbraw/zinc/34/64/04/1349346404.db2.gz OYTPYHNXBXUTBA-TYNCELHUSA-N -1 3 331.420 2.164 20 10 EECDHM Cc1c([C@H](C)[NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2[O-])cnn1C ZINC001605483507 1351169082 /nfs/dbraw/zinc/16/90/82/1351169082.db2.gz FAPAJKUJLURBIX-UWVGGRQHSA-N -1 3 327.392 2.026 20 10 EECDHM COc1ccc2ccc(O)c(CN3CCOC[C@H]3CC(=O)[O-])c2c1 ZINC001607300138 1351468179 /nfs/dbraw/zinc/46/81/79/1351468179.db2.gz HGGUUWXBIRPICV-CYBMUJFWSA-N -1 3 331.368 2.230 20 10 EECDHM COC(=O)CN(CC[C@H]1CCOC1)Cc1cc(Cl)ccc1[O-] ZINC000783562280 1371360015 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O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)c1cc(O)c([O-])c(O)c1 ZINC001148589882 792574552 /nfs/dbraw/zinc/57/45/52/792574552.db2.gz PLYUMQSOXPLYRT-CZUORRHYSA-N -1 3 329.352 2.454 20 10 EECDHM CCOC(=O)c1ncc(NC(=O)C=Cc2ccc(N(C)C)cc2)[n-]1 ZINC001180122810 800279610 /nfs/dbraw/zinc/27/96/10/800279610.db2.gz GRAVSPJKHBWREI-JXMROGBWSA-N -1 3 328.372 2.304 20 10 EECDHM CCOC(=O)c1nc(NC(=O)C=Cc2ccc(N(C)C)cc2)c[n-]1 ZINC001180122810 800279612 /nfs/dbraw/zinc/27/96/12/800279612.db2.gz GRAVSPJKHBWREI-JXMROGBWSA-N -1 3 328.372 2.304 20 10 EECDHM NC(=O)N1CCCc2ccc(NC(=O)c3cccc(O)c3[O-])cc21 ZINC000787713850 807201973 /nfs/dbraw/zinc/20/19/73/807201973.db2.gz HRZFXYVESZJSBD-UHFFFAOYSA-N -1 3 327.340 2.181 20 10 EECDHM CCN1C[C@@H](CN(C)C(=O)c2cccc(O)c2[O-])Oc2ccccc21 ZINC000790484909 808745472 /nfs/dbraw/zinc/74/54/72/808745472.db2.gz VAQUUEDRDXWILM-CYBMUJFWSA-N -1 3 342.395 2.457 20 10 EECDHM C[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001593198867 994175513 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O=C(NC[C@@H](c1ccco1)N1CCCC1)c1c(F)ccc(O)c1[O-] ZINC000294647052 464562716 /nfs/dbraw/zinc/56/27/16/464562716.db2.gz BGHYLPGUMCFFIB-LBPRGKRZSA-N -1 3 334.347 2.397 20 10 EECDHM COCCn1cc(CNCc2cc(Br)ccc2[O-])cn1 ZINC000282078129 464691074 /nfs/dbraw/zinc/69/10/74/464691074.db2.gz QYNIGNWYEVFXTA-UHFFFAOYSA-N -1 3 340.221 2.287 20 10 EECDHM C[C@@H](N[C@@H](CO)c1cnn(C)c1)c1cc(Br)ccc1[O-] ZINC000273469444 464717391 /nfs/dbraw/zinc/71/73/91/464717391.db2.gz JLBPHDFPLDVMMK-RNCFNFMXSA-N -1 3 340.221 2.272 20 10 EECDHM CCN(Cc1cc(Cl)cc(OC)c1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000184673131 465017097 /nfs/dbraw/zinc/01/70/97/465017097.db2.gz RPNQFDZIXWUSHA-GFCCVEGCSA-N -1 3 333.837 2.063 20 10 EECDHM [O-]c1ccc(Cl)c(F)c1CN1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000373823388 466932679 /nfs/dbraw/zinc/93/26/79/466932679.db2.gz CVEZQYVHGOTGLR-UKRRQHHQSA-N -1 3 328.815 2.216 20 10 EECDHM CC(C)[C@H](O)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000366016284 467030744 /nfs/dbraw/zinc/03/07/44/467030744.db2.gz 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ZINC000862389102 1295822935 /nfs/dbraw/zinc/82/29/35/1295822935.db2.gz GHTOTYXOXWKVGN-UHFFFAOYSA-N -1 3 343.221 2.474 20 10 EECDHM O=C1c2cccc(O[C@@H]3CNCC3(F)F)c2C(=O)c2cccc([O-])c21 ZINC001218235193 1297609456 /nfs/dbraw/zinc/60/94/56/1297609456.db2.gz JMCWLKCVMDPQNJ-CYBMUJFWSA-N -1 3 345.301 2.154 20 10 EECDHM C[C@H](CN(C)C)Oc1ccc2c(c1)C(=O)c1ccc([O-])cc1C2=O ZINC001229192593 1302664975 /nfs/dbraw/zinc/66/49/75/1302664975.db2.gz PGKOFXVRUUROIT-LLVKDONJSA-N -1 3 325.364 2.497 20 10 EECDHM Cc1cc(O[C@@H]2COC(=O)C2)c2c(c1)C(=O)c1cccc([O-])c1C2=O ZINC001229542428 1302843074 /nfs/dbraw/zinc/84/30/74/1302843074.db2.gz MMLSCYMTTWZCRC-JTQLQIEISA-N -1 3 338.315 2.170 20 10 EECDHM CCc1noc([C@H]2CCC[N@H+](Cc3ccc(C(=O)[O-])cc3[O-])C2)n1 ZINC001231454671 1303803544 /nfs/dbraw/zinc/80/35/44/1303803544.db2.gz HVKFBSGXDIEOFD-ZDUSSCGKSA-N -1 3 331.372 2.415 20 10 EECDHM CCc1noc([C@H]2CCC[N@@H+](Cc3ccc(C(=O)[O-])cc3[O-])C2)n1 ZINC001231454671 1303803548 /nfs/dbraw/zinc/80/35/48/1303803548.db2.gz HVKFBSGXDIEOFD-ZDUSSCGKSA-N -1 3 331.372 2.415 20 10 EECDHM Cc1ccc(N2CCN(Cc3cc(C(=O)[O-])ccc3O)CC2)nc1 ZINC001231563470 1303847910 /nfs/dbraw/zinc/84/79/10/1303847910.db2.gz ARXSRWYOFLBSSU-UHFFFAOYSA-N -1 3 327.384 2.116 20 10 EECDHM COc1cc([O-])c(CN2C[C@H](F)C[C@H]2CO)cc1Br ZINC001233135300 1304372874 /nfs/dbraw/zinc/37/28/74/1304372874.db2.gz PMUIYNACQGJRTR-ZJUUUORDSA-N -1 3 334.185 2.068 20 10 EECDHM COC(=O)[C@H]1C[C@@H]2COC[C@H](C1)N2Cc1ccc(Cl)cc1[O-] ZINC001140465693 1314892450 /nfs/dbraw/zinc/89/24/50/1314892450.db2.gz RJJUSTRWWZPCGU-UBSAEIQESA-N -1 3 325.792 2.198 20 10 EECDHM C[C@@H](Sc1nccs1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC001590038012 1349121146 /nfs/dbraw/zinc/12/11/46/1349121146.db2.gz WKWUIMCCSDQOMN-MRVPVSSYSA-N -1 3 332.414 2.443 20 10 EECDHM C[C@@H](Sc1nccs1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC001590038012 1349121150 /nfs/dbraw/zinc/12/11/50/1349121150.db2.gz WKWUIMCCSDQOMN-MRVPVSSYSA-N -1 3 332.414 2.443 20 10 EECDHM O=C([O-])c1ccc2c(c1)CC[C@H]([NH2+]Cc1cc(F)ccc1[O-])C(=O)N2 ZINC001608919772 1351794321 /nfs/dbraw/zinc/79/43/21/1351794321.db2.gz BNRTUQNMIURVEA-HNNXBMFYSA-N -1 3 344.342 2.273 20 10 EECDHM CC[C@H](C)[C@@H](NC(=O)CN[C@H](C)c1ccc(N(C)C)cc1)C(=O)[O-] ZINC001609899226 1352114308 /nfs/dbraw/zinc/11/43/08/1352114308.db2.gz KVNYTJXCIFQVKO-OGHNNQOOSA-N -1 3 335.448 2.019 20 10 EECDHM C[C@@H]([NH2+]CC1(CCO)CCCC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589978124 1349089056 /nfs/dbraw/zinc/08/90/56/1349089056.db2.gz KVEJQHGUDWJFAN-GFCCVEGCSA-N -1 3 331.420 2.166 20 10 EECDHM C[C@@H](O)c1ccc(C[NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2[O-])cc1 ZINC001590002741 1349102911 /nfs/dbraw/zinc/10/29/11/1349102911.db2.gz GTJHBTORVFOZSH-NWDGAFQWSA-N -1 3 339.399 2.476 20 10 EECDHM C[C@@H]([NH2+]CC[C@@H](O)C1CCCC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603662453 1350737083 /nfs/dbraw/zinc/73/70/83/1350737083.db2.gz KVWOTRXSYKUFHW-IAQYHMDHSA-N -1 3 331.420 2.164 20 10 EECDHM CC[C@H]([NH2+]C[C@H]1CCO[C@@H](C)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604057279 1350842516 /nfs/dbraw/zinc/84/25/16/1350842516.db2.gz ZEJXGDDTVKXXBU-HUBLWGQQSA-N -1 3 331.420 2.428 20 10 EECDHM C[C@H]([NH2+][C@H]1CCC[C@@H](S(C)(=O)=O)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001604329948 1350917077 /nfs/dbraw/zinc/91/70/77/1350917077.db2.gz MPEWNSLZWMCMQY-WCFLWFBJSA-N -1 3 341.429 2.097 20 10 EECDHM Cc1cc(C(=O)N(C)Cc2ccccc2O)cc(C)c1-c1nnn[n-]1 ZINC001605590688 1351196417 /nfs/dbraw/zinc/19/64/17/1351196417.db2.gz DRKAURSCBRIKGW-UHFFFAOYSA-N -1 3 337.383 2.461 20 10 EECDHM Cc1cc(C(=O)N(C)Cc2ccccc2O)cc(C)c1-c1nn[n-]n1 ZINC001605590688 1351196420 /nfs/dbraw/zinc/19/64/20/1351196420.db2.gz DRKAURSCBRIKGW-UHFFFAOYSA-N -1 3 337.383 2.461 20 10 EECDHM COc1cc(Br)cc(C[NH2+]CC2(C(=O)[O-])CC2)c1[O-] ZINC001607055658 1351404552 /nfs/dbraw/zinc/40/45/52/1351404552.db2.gz ZYQAULJZPITEGS-UHFFFAOYSA-N -1 3 330.178 2.118 20 10 EECDHM O=C(c1ccco1)N1CC[C@H]2CN(Cc3c([O-])cccc3F)C[C@H]21 ZINC001137835835 1372281860 /nfs/dbraw/zinc/28/18/60/1372281860.db2.gz PRAMWALFFWEQAR-SWLSCSKDSA-N -1 3 330.359 2.471 20 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COCCn1cc(CNCc2cc(Cl)cc([N+](=O)[O-])c2[O-])cn1 ZINC000281989540 464659898 /nfs/dbraw/zinc/65/98/98/464659898.db2.gz LHMODXOVBCWKTC-UHFFFAOYSA-N -1 3 340.767 2.087 20 10 EECDHM Cc1ccc(C(=O)N(C)Cc2nccn2CC(F)(F)F)c([O-])c1O ZINC000272717689 464686733 /nfs/dbraw/zinc/68/67/33/464686733.db2.gz DQZZNDVGLMXMDS-UHFFFAOYSA-N -1 3 343.305 2.437 20 10 EECDHM Cc1cccc(C(=O)NCc2ccc(N3CCOCC3)cc2)c1[O-] ZINC000097152693 534610661 /nfs/dbraw/zinc/61/06/61/534610661.db2.gz NIVXSZJKXUGIES-UHFFFAOYSA-N -1 3 326.396 2.467 20 10 EECDHM Cc1nc(NC(=O)c2cc([O-])cs2)sc1SCC(N)=O ZINC000731869570 577128884 /nfs/dbraw/zinc/12/88/84/577128884.db2.gz SENQVOWVXRVZCP-UHFFFAOYSA-N -1 3 329.428 2.048 20 10 EECDHM COc1ccc(CCNC(=O)c2cc([O-])cs2)c(OC)c1OC ZINC000732285268 577166309 /nfs/dbraw/zinc/16/63/09/577166309.db2.gz ZTVBAURPCZNJLL-UHFFFAOYSA-N -1 3 337.397 2.452 20 10 EECDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)c1nccs1 ZINC000772532389 577280395 /nfs/dbraw/zinc/28/03/95/577280395.db2.gz PGVKPSYHCRJDDL-UHFFFAOYSA-N -1 3 340.788 2.318 20 10 EECDHM COCCO[C@@H]1C[C@@H](CO)CN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000775201176 577432601 /nfs/dbraw/zinc/43/26/01/577432601.db2.gz CHAHHVLSQBIMLA-VXGBXAGGSA-N -1 3 347.814 2.031 20 10 EECDHM COC(=O)C[C@]1(NCc2cc(Cl)cc(C(C)=O)c2[O-])CCOC1 ZINC000767034124 577529356 /nfs/dbraw/zinc/52/93/56/577529356.db2.gz WDVSTZICHXWGJJ-MRXNPFEDSA-N -1 3 341.791 2.060 20 10 EECDHM CCOC(=O)COc1ccc(CCNC(=O)c2cc([O-])cs2)cc1 ZINC000743758592 577889547 /nfs/dbraw/zinc/88/95/47/577889547.db2.gz HZUQMZMZWBLURW-UHFFFAOYSA-N -1 3 349.408 2.368 20 10 EECDHM COc1ccc(O)c([C@H](C)NC(=O)c2cc(-c3nnn[n-]3)cs2)c1 ZINC000821837972 606584102 /nfs/dbraw/zinc/58/41/02/606584102.db2.gz IOCCHLCEMCUJRC-QMMMGPOBSA-N -1 3 345.384 2.133 20 10 EECDHM COc1ccc(O)c([C@H](C)NC(=O)c2cc(-c3nn[n-]n3)cs2)c1 ZINC000821837972 606584104 /nfs/dbraw/zinc/58/41/04/606584104.db2.gz IOCCHLCEMCUJRC-QMMMGPOBSA-N -1 3 345.384 2.133 20 10 EECDHM O=C(C=Cc1cncc(F)c1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826403620 607946811 /nfs/dbraw/zinc/94/68/11/607946811.db2.gz XHTJVUGQNSLNDH-DAFODLJHSA-N -1 3 336.330 2.003 20 10 EECDHM O=C(C=Cc1cncc(F)c1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826403620 607946812 /nfs/dbraw/zinc/94/68/12/607946812.db2.gz XHTJVUGQNSLNDH-DAFODLJHSA-N -1 3 336.330 2.003 20 10 EECDHM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(O)cc3)ccc21 ZINC000177921275 676446848 /nfs/dbraw/zinc/44/68/48/676446848.db2.gz GIGLEJARLLVDOL-UHFFFAOYSA-N -1 3 332.381 2.102 20 10 EECDHM O=C1OCCCN1C1CCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC000897589206 691653177 /nfs/dbraw/zinc/65/31/77/691653177.db2.gz GUDNYSOXJGOWIO-UHFFFAOYSA-N -1 3 326.343 2.477 20 10 EECDHM CC(C)CN1C[C@]2(CC1=O)CCCCN2C(=O)c1cccc(O)c1[O-] ZINC001269685660 1184509474 /nfs/dbraw/zinc/50/94/74/1184509474.db2.gz DLNKXIZJKHZDHM-LJQANCHMSA-N -1 3 346.427 2.351 20 10 EECDHM CC[C@H](C)NC(=O)[C@H]1CC12CCN(C(=O)c1cccc(O)c1[O-])CC2 ZINC001269685711 1184509988 /nfs/dbraw/zinc/50/99/88/1184509988.db2.gz GHFZEWIFHKIYQS-GXTWGEPZSA-N -1 3 346.427 2.255 20 10 EECDHM CC[C@@H](C)N1C[C@@]2(CCN(Cc3c([O-])cccc3F)C2)OCC1=O ZINC001273265514 1197887923 /nfs/dbraw/zinc/88/79/23/1197887923.db2.gz HDJQQKYKMKMTLS-ACJLOTCBSA-N -1 3 336.407 2.133 20 10 EECDHM CC(C)NC(=O)N1CC[C@H]2[C@@H]1CCN2Cc1cc(F)c(F)cc1[O-] ZINC001275773487 1205520798 /nfs/dbraw/zinc/52/07/98/1205520798.db2.gz KFMDHFNEZBJHSB-GJZGRUSLSA-N -1 3 339.386 2.437 20 10 EECDHM [O-]c1cc(F)c(F)cc1CN1C[C@@H]2CN(C3CCCC3)C[C@H](C1)O2 ZINC001275774631 1205521019 /nfs/dbraw/zinc/52/10/19/1205521019.db2.gz SIZYISBYNXRNRP-GASCZTMLSA-N -1 3 338.398 2.498 20 10 EECDHM C[C@@H](CS(C)(=O)=O)N(C)Cc1cc(Br)ccc1[O-] ZINC000093384207 1214869989 /nfs/dbraw/zinc/86/99/89/1214869989.db2.gz VYOLEKXPBHUACA-VIFPVBQESA-N -1 3 336.251 2.020 20 10 EECDHM O=C(Nc1ccc2nc(CO)[nH]c2c1)c1cc(O)c([O-])c(Cl)c1 ZINC001193625628 1282608742 /nfs/dbraw/zinc/60/87/42/1282608742.db2.gz QDEQQXKSLWFGHI-UHFFFAOYSA-N -1 3 333.731 2.372 20 10 EECDHM CC[C@H](C)N1CC[C@@]2(CC[N@H+](Cc3cc(C(=O)[O-])ccc3[O-])C2)C1=O ZINC001273740443 1284522462 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20 10 EECDHM [O-]c1ccc(Cl)c(F)c1CN1CCN(C[C@@H]2CCCO2)CC1 ZINC000792157368 809619885 /nfs/dbraw/zinc/61/98/85/809619885.db2.gz VLOPZVNETVWZED-LBPRGKRZSA-N -1 3 328.815 2.481 20 10 EECDHM COC(=O)[C@@H](NCc1cc(F)ccc1[O-])c1ccc(OC)c(O)c1 ZINC000792182178 809641086 /nfs/dbraw/zinc/64/10/86/809641086.db2.gz XTNVGFJTBRCKNZ-INIZCTEOSA-N -1 3 335.331 2.249 20 10 EECDHM Cc1ccc(C(=O)N2CCCN(c3nccs3)CC2)c([O-])c1O ZINC000177676416 463763667 /nfs/dbraw/zinc/76/36/67/463763667.db2.gz JZUYCWUTEYJSIY-UHFFFAOYSA-N -1 3 333.413 2.215 20 10 EECDHM CCCNC(=O)c1cccc(CNC(=O)c2ccc(C)c(O)c2[O-])c1 ZINC000182074489 464565514 /nfs/dbraw/zinc/56/55/14/464565514.db2.gz VXRYBGUTZOFKOA-UHFFFAOYSA-N -1 3 342.395 2.476 20 10 EECDHM CNC(=O)c1cccc(CN[C@H](C)c2cc(C(=O)OC)ccc2[O-])c1 ZINC000273361132 464712027 /nfs/dbraw/zinc/71/20/27/464712027.db2.gz CZYNAAUMSZBTDV-GFCCVEGCSA-N -1 3 342.395 2.389 20 10 EECDHM C[C@@H](N[C@@H]1CCN(CC(F)(F)F)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273517973 464719971 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Cc1cc(N(C)C)ccc1CNC=C1C(=O)[N-]C(=O)c2ccccc21 ZINC000734415294 577294653 /nfs/dbraw/zinc/29/46/53/577294653.db2.gz ZBWUCUHMQOJVOX-PDGQHHTCSA-N -1 3 335.407 2.462 20 10 EECDHM Cc1cc(Br)cc(CN2C[C@@H](CO)OC[C@H]2C)c1[O-] ZINC000775740551 577444402 /nfs/dbraw/zinc/44/44/02/577444402.db2.gz KUIPFFRGLBRVCM-MFKMUULPSA-N -1 3 330.222 2.045 20 10 EECDHM Cc1cccc2c(=O)c(C(=O)NCCc3ccc(O)c(O)c3)c[n-]c12 ZINC000776181241 577454030 /nfs/dbraw/zinc/45/40/30/577454030.db2.gz DUTSWUUQRUAAJZ-UHFFFAOYSA-N -1 3 338.363 2.220 20 10 EECDHM C[C@H]1C[C@H](NCc2cccc(Cl)c2[O-])C(=O)N1c1cnn(C)c1 ZINC000776224743 577454961 /nfs/dbraw/zinc/45/49/61/577454961.db2.gz VQGILCAKKMMZAN-HZMBPMFUSA-N -1 3 334.807 2.063 20 10 EECDHM O=C1OCCN1c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2)cc1 ZINC000776745283 577466918 /nfs/dbraw/zinc/46/69/18/577466918.db2.gz VSPIWGQWTFSULN-UHFFFAOYSA-N -1 3 334.353 2.150 20 10 EECDHM Cc1nccc(CN2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)n1 ZINC000761119942 577677201 /nfs/dbraw/zinc/67/72/01/577677201.db2.gz 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ZINC000826013504 1200220005 /nfs/dbraw/zinc/22/00/05/1200220005.db2.gz VXFJOXRLWKVCCI-ZDUSSCGKSA-N -1 3 346.196 2.488 20 10 EECDHM CN(C)c1ccc(CN(C)C(=O)c2cc3c(cc2[O-])OCO3)cc1 ZINC000048241275 1208453198 /nfs/dbraw/zinc/45/31/98/1208453198.db2.gz JOAJILJMCVIHEF-UHFFFAOYSA-N -1 3 328.368 2.459 20 10 EECDHM C[C@@H](CS(C)(=O)=O)N(C)Cc1ccc(Br)cc1[O-] ZINC000688549676 1210594326 /nfs/dbraw/zinc/59/43/26/1210594326.db2.gz GYPXAQJDSKHUHA-VIFPVBQESA-N -1 3 336.251 2.020 20 10 EECDHM COC(=O)c1cccc(C)c1S(=O)(=O)[N-]c1ccc(O)cc1F ZINC001197028464 1284418774 /nfs/dbraw/zinc/41/87/74/1284418774.db2.gz AONKYSRUNJKHSE-UHFFFAOYSA-N -1 3 339.344 2.427 20 10 EECDHM [O-]c1cccc(Br)c1CN1CCCC2(C1)OCCO2 ZINC000862303273 1295790216 /nfs/dbraw/zinc/79/02/16/1295790216.db2.gz OBLVBSZERCDEHI-UHFFFAOYSA-N -1 3 328.206 2.494 20 10 EECDHM [O-]c1c(CN2CC3(C2)CCN(Cc2cn[nH]c2)C3)ccc(F)c1F ZINC001276856482 1299954294 /nfs/dbraw/zinc/95/42/94/1299954294.db2.gz ANQXMGPNYSCDQW-UHFFFAOYSA-N -1 3 334.370 2.101 20 10 EECDHM O=C(c1ccccc1)c1ccc([O-])c(O)c1OC[C@@H]1CCC(=O)O1 ZINC001227938514 1302016280 /nfs/dbraw/zinc/01/62/80/1302016280.db2.gz VTDXEFOTLFAVLA-LBPRGKRZSA-N -1 3 328.320 2.413 20 10 EECDHM O=C([O-])c1ccc(C[N@@H+]2CCCN(c3ccccn3)CC2)c([O-])c1 ZINC001231445848 1303798751 /nfs/dbraw/zinc/79/87/51/1303798751.db2.gz BOISEUQXAAOORF-UHFFFAOYSA-N -1 3 327.384 2.198 20 10 EECDHM O=C([O-])c1ccc(C[N@H+]2CCCN(c3ccccn3)CC2)c([O-])c1 ZINC001231445848 1303798755 /nfs/dbraw/zinc/79/87/55/1303798755.db2.gz BOISEUQXAAOORF-UHFFFAOYSA-N -1 3 327.384 2.198 20 10 EECDHM Cc1cncnc1OC1CC[NH+](Cc2ccc(C(=O)[O-])cc2[O-])CC1 ZINC001231453616 1303801750 /nfs/dbraw/zinc/80/17/50/1303801750.db2.gz NJRSRNOYFMBTNK-UHFFFAOYSA-N -1 3 343.383 2.232 20 10 EECDHM O=C([O-])c1ccc(C[NH+]2CCC(N3CCCCC3=O)CC2)c([O-])c1 ZINC001231455883 1303804902 /nfs/dbraw/zinc/80/49/02/1303804902.db2.gz WCNDLFDBELPIKE-UHFFFAOYSA-N -1 3 332.400 2.067 20 10 EECDHM CNC(=O)[C@@H]1CN(Cc2cc3oc4ccccc4c3cc2[O-])CCO1 ZINC000781576979 1303821825 /nfs/dbraw/zinc/82/18/25/1303821825.db2.gz KMSFSSIOXUCQDX-SFHVURJKSA-N -1 3 340.379 2.238 20 10 EECDHM COc1ccnc(O[C@H]2CCN(Cc3c([O-])ccc(F)c3F)C2)n1 ZINC001233336353 1304435155 /nfs/dbraw/zinc/43/51/55/1304435155.db2.gz IZLZYWPPAOOVNP-JTQLQIEISA-N -1 3 337.326 2.122 20 10 EECDHM [O-]c1cc(C(F)(F)F)ccc1CN1CCn2cnc(CO)c2C1 ZINC001235507529 1305256851 /nfs/dbraw/zinc/25/68/51/1305256851.db2.gz MIQJENXDWKSOFB-UHFFFAOYSA-N -1 3 327.306 2.116 20 10 EECDHM COC[C@H]1COCCN1Cc1cc(Br)c(C)cc1[O-] ZINC001237683888 1306047824 /nfs/dbraw/zinc/04/78/24/1306047824.db2.gz DYZAUKGPLADMDD-LBPRGKRZSA-N -1 3 330.222 2.310 20 10 EECDHM CO[C@H]1CCN(Cc2cccc(I)c2[O-])C1 ZINC001237778488 1306085593 /nfs/dbraw/zinc/08/55/93/1306085593.db2.gz WPXHWRJTCSPCJP-JTQLQIEISA-N -1 3 333.169 2.218 20 10 EECDHM CCN(CCNC(=O)c1c(F)ccc(O)c1[O-])CCC(F)(F)F ZINC000830402333 1314536675 /nfs/dbraw/zinc/53/66/75/1314536675.db2.gz SGULWLAVPSKJHW-UHFFFAOYSA-N -1 3 338.301 2.241 20 10 EECDHM O=c1ccc2cc(S(=O)(=O)[N-]c3ccc(O)c(F)c3)ccc2o1 ZINC001260451472 1319895423 /nfs/dbraw/zinc/89/54/23/1319895423.db2.gz LETYYLKZDLCKKM-UHFFFAOYSA-N -1 3 335.312 2.439 20 10 EECDHM C[C@@H]([NH2+][C@H](CO)C1CCCCC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603648849 1350733569 /nfs/dbraw/zinc/73/35/69/1350733569.db2.gz BOAFHAXLBRYWGT-IAQYHMDHSA-N -1 3 331.420 2.164 20 10 EECDHM C[C@H]([NH2+]CC[S@@](=O)CC(F)(F)F)c1cc(C(=O)[O-])ccc1[O-] ZINC001604341145 1350919817 /nfs/dbraw/zinc/91/98/17/1350919817.db2.gz NODLBFYMFWDJFC-QSIZCVBASA-N -1 3 339.335 2.052 20 10 EECDHM C[C@@H]([NH2+]Cc1nc2c(s1)CCC2)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589975636 1349089712 /nfs/dbraw/zinc/08/97/12/1349089712.db2.gz DGRUCNZZPCKYAH-SECBINFHSA-N -1 3 342.428 2.368 20 10 EECDHM Cc1cc(N[C@@H](C)Cc2ccc(O)c(O)c2)ncc1-c1nnn[n-]1 ZINC001592034442 1349586066 /nfs/dbraw/zinc/58/60/66/1349586066.db2.gz KUSJKAYFTOUTNQ-JTQLQIEISA-N -1 3 326.360 2.024 20 10 EECDHM Cc1cc(N[C@@H](C)Cc2ccc(O)c(O)c2)ncc1-c1nn[n-]n1 ZINC001592034442 1349586070 /nfs/dbraw/zinc/58/60/70/1349586070.db2.gz KUSJKAYFTOUTNQ-JTQLQIEISA-N -1 3 326.360 2.024 20 10 EECDHM O=[N+]([O-])c1c(NCc2c(O)cccc2F)cccc1-c1nnn[n-]1 ZINC001593469414 1349804313 /nfs/dbraw/zinc/80/43/13/1349804313.db2.gz PGXXWWMMUZMKFY-UHFFFAOYSA-N -1 3 330.279 2.232 20 10 EECDHM CC(C)CN(C(=O)C=Cc1cnccn1)c1ccc(-c2nnn[n-]2)cc1 ZINC001603287947 1350679642 /nfs/dbraw/zinc/67/96/42/1350679642.db2.gz FEIGWYQTQCMABV-VMPITWQZSA-N -1 3 349.398 2.359 20 10 EECDHM CC(C)CN(C(=O)C=Cc1cnccn1)c1ccc(-c2nn[n-]n2)cc1 ZINC001603287947 1350679648 /nfs/dbraw/zinc/67/96/48/1350679648.db2.gz FEIGWYQTQCMABV-VMPITWQZSA-N -1 3 349.398 2.359 20 10 EECDHM COc1cc(NC(=S)NCc2ncccc2[O-])cc(OC)c1OC ZINC001199884473 1368702762 /nfs/dbraw/zinc/70/27/62/1368702762.db2.gz LVXVWDZCSJCOMK-UHFFFAOYSA-N -1 3 349.412 2.300 20 10 EECDHM COc1ccnc(O[C@@H]2CCCN(Cc3c([O-])cccc3F)C2)n1 ZINC001137841348 1372283090 /nfs/dbraw/zinc/28/30/90/1372283090.db2.gz BGBYLHVDNMINPM-GFCCVEGCSA-N -1 3 333.363 2.373 20 10 EECDHM COC(=O)[C@@H]1C[C@@H](F)CN1Cc1c([O-])cccc1Br ZINC001140098921 757553923 /nfs/dbraw/zinc/55/39/23/757553923.db2.gz SQLVSXULPQYEHP-KCJUWKMLSA-N -1 3 332.169 2.240 20 10 EECDHM C[C@@H]1CC[C@@H](C(N)=O)CN1Cc1cc(Br)cc(F)c1[O-] ZINC000893946805 780332464 /nfs/dbraw/zinc/33/24/64/780332464.db2.gz RAROZIXSJDJXDW-RKDXNWHRSA-N -1 3 345.212 2.380 20 10 EECDHM COc1c([O-])c(CNc2ccc(C3(O)COC3)cc2)ccc1[N+](=O)[O-] ZINC000809780475 783384940 /nfs/dbraw/zinc/38/49/40/783384940.db2.gz AEQWDHNTLMNXPU-UHFFFAOYSA-N -1 3 346.339 2.139 20 10 EECDHM O=C(c1cccc(O)c1[O-])N1CCNC(=O)[C@H]1c1ccc(Cl)cc1 ZINC001148218586 792252540 /nfs/dbraw/zinc/25/25/40/792252540.db2.gz GONRKYMCUKPNPW-CQSZACIVSA-N -1 3 346.770 2.065 20 10 EECDHM COc1cc2c(cc1OC)[C@H](CNC(=O)c1cccc(O)c1[O-])C2 ZINC001148225590 792260748 /nfs/dbraw/zinc/26/07/48/792260748.db2.gz QMMRPYRVAOCLJC-NSHDSACASA-N -1 3 329.352 2.185 20 10 EECDHM O=C(N[C@H](c1ccccc1)C1(O)CCC1)c1cc(O)c([O-])c(O)c1 ZINC001148590807 792575681 /nfs/dbraw/zinc/57/56/81/792575681.db2.gz QMTBEQXZMNHCGI-MRXNPFEDSA-N -1 3 329.352 2.190 20 10 EECDHM O=C(NCc1ccc(-c2c[nH]cn2)cc1)c1cc(O)c([O-])c(O)c1 ZINC001148591103 792576348 /nfs/dbraw/zinc/57/63/48/792576348.db2.gz UNGMIAFURJYAFX-UHFFFAOYSA-N -1 3 325.324 2.124 20 10 EECDHM O=C(Cc1cncnc1)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001177223420 798808676 /nfs/dbraw/zinc/80/86/76/798808676.db2.gz UBNMYRVNOBHENL-UHFFFAOYSA-N -1 3 328.759 2.243 20 10 EECDHM C[C@@H]([NH2+]C[C@@H](O)Cc1ccc(F)cc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593246744 994458266 /nfs/dbraw/zinc/45/82/66/994458266.db2.gz OKSOKLHXJSFFDL-ABAIWWIYSA-N -1 3 333.359 2.484 20 10 EECDHM C[C@@H]([NH2+]C[C@@H]1CC2(CO1)CCOCC2)c1cc(C(=O)[O-])ccc1[O-] ZINC001593252555 994507282 /nfs/dbraw/zinc/50/72/82/994507282.db2.gz SQJLWHYKIWYJRE-OCCSQVGLSA-N -1 3 335.400 2.327 20 10 EECDHM CCc1cc(=O)[n-]c(CN2CCN(c3ccc(OC)c(F)c3)CC2)n1 ZINC000122127013 529565705 /nfs/dbraw/zinc/56/57/05/529565705.db2.gz DITIXGMWAQHDDC-UHFFFAOYSA-N -1 3 346.406 2.215 20 10 EECDHM Cc1cc(NC(=O)CN(Cc2ccccc2[O-])C[C@@H]2CCCO2)on1 ZINC000109761663 237133659 /nfs/dbraw/zinc/13/36/59/237133659.db2.gz FSUSRZLDDXPTLU-HNNXBMFYSA-N -1 3 345.399 2.308 20 10 EECDHM O=C([N-]C[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1)C(F)(F)F ZINC000291686523 238177237 /nfs/dbraw/zinc/17/72/37/238177237.db2.gz XQWCXPMLBZGVBR-SNVBAGLBSA-N -1 3 334.313 2.422 20 10 EECDHM O=C([N-]C[C@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1)C(F)(F)F ZINC000291686523 238177239 /nfs/dbraw/zinc/17/72/39/238177239.db2.gz XQWCXPMLBZGVBR-SNVBAGLBSA-N -1 3 334.313 2.422 20 10 EECDHM CN(CCOc1cccc(S(C)(=O)=O)c1)Cc1ccccc1[O-] ZINC000154987815 462832493 /nfs/dbraw/zinc/83/24/93/462832493.db2.gz MZILSXURMWPRQA-UHFFFAOYSA-N -1 3 335.425 2.307 20 10 EECDHM COC(=O)c1cccc(NC(=O)COC(=O)c2cc([O-])cs2)c1 ZINC000069626866 463291457 /nfs/dbraw/zinc/29/14/57/463291457.db2.gz DCRCGMOFRYVRAH-UHFFFAOYSA-N -1 3 335.337 2.036 20 10 EECDHM C[C@H](c1cccnc1)N1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000170600258 463680941 /nfs/dbraw/zinc/68/09/41/463680941.db2.gz TUBSYABPTOWLSD-CYBMUJFWSA-N -1 3 327.384 2.012 20 10 EECDHM CC1(C)CCC[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000277161275 463892973 /nfs/dbraw/zinc/89/29/73/463892973.db2.gz SRFJFJOCNQIJDV-LBPRGKRZSA-N -1 3 340.445 2.462 20 10 EECDHM O=C(N[C@@H]1CCCN(c2ccccc2F)C1=O)c1cccc(O)c1[O-] ZINC000185896361 463902005 /nfs/dbraw/zinc/90/20/05/463902005.db2.gz NTAYWEOFXCXPFU-CYBMUJFWSA-N -1 3 344.342 2.162 20 10 EECDHM CC[C@H]1CN(Cc2cc(F)cc(C(C)=O)c2[O-])C[C@H](C)S1(=O)=O ZINC000287606252 463942547 /nfs/dbraw/zinc/94/25/47/463942547.db2.gz YZRBKCHKXNQVCG-HZMBPMFUSA-N -1 3 343.420 2.131 20 10 EECDHM COc1c([O-])c(CNCc2ccc(N(C)C)nc2)ccc1[N+](=O)[O-] ZINC000278873834 464005880 /nfs/dbraw/zinc/00/58/80/464005880.db2.gz NFXRFGOPELLDCY-UHFFFAOYSA-N -1 3 332.360 2.060 20 10 EECDHM CN(C[C@@H]1CCCN(Cc2c([O-])cccc2Cl)C1)S(C)(=O)=O ZINC000289353175 464076030 /nfs/dbraw/zinc/07/60/30/464076030.db2.gz JKJILQFBPIIIHY-LBPRGKRZSA-N -1 3 346.880 2.149 20 10 EECDHM O=C(C1CCN(Cc2c([O-])cccc2Cl)CC1)N1CCOCC1 ZINC000271039205 464276942 /nfs/dbraw/zinc/27/69/42/464276942.db2.gz MKAOVSQMWWVFMJ-UHFFFAOYSA-N -1 3 338.835 2.116 20 10 EECDHM Cn1c(-c2ccccc2)cnc1SCCCOC([O-])=NC(N)=O ZINC000264985318 464505497 /nfs/dbraw/zinc/50/54/97/464505497.db2.gz IQLBWBFLNCZUIK-UHFFFAOYSA-N -1 3 334.401 2.374 20 10 EECDHM Cn1c(-c2ccccc2)cnc1SCCCOC(=O)N=C(N)[O-] ZINC000264985318 464505503 /nfs/dbraw/zinc/50/55/03/464505503.db2.gz IQLBWBFLNCZUIK-UHFFFAOYSA-N -1 3 334.401 2.374 20 10 EECDHM Cn1c(-c2ccccc2)cnc1SCCCOC(=O)[N-]C(N)=O ZINC000264985318 464505507 /nfs/dbraw/zinc/50/55/07/464505507.db2.gz IQLBWBFLNCZUIK-UHFFFAOYSA-N -1 3 334.401 2.374 20 10 EECDHM CC(=O)c1cc(F)cc(CN2CCN(CC(C)(C)O)C[C@@H]2C)c1[O-] ZINC000189471563 464512548 /nfs/dbraw/zinc/51/25/48/464512548.db2.gz DMABWESIIBZYNK-LBPRGKRZSA-N -1 3 338.423 2.011 20 10 EECDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)C[C@@H]1CCCO1 ZINC000294909038 464645081 /nfs/dbraw/zinc/64/50/81/464645081.db2.gz ICAXRXHXDODDMQ-ZDUSSCGKSA-N -1 3 341.791 2.116 20 10 EECDHM COc1ccc([C@H](CO)N(C)C(=O)c2ccc(C)c(O)c2[O-])cc1 ZINC000273048105 464701227 /nfs/dbraw/zinc/70/12/27/464701227.db2.gz WEUNADUCUFSCHS-HNNXBMFYSA-N -1 3 331.368 2.220 20 10 EECDHM CNC(=O)OC[C@H]1CCCCN1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000286695176 465007724 /nfs/dbraw/zinc/00/77/24/465007724.db2.gz DJBQDGXHGHXARG-CQSZACIVSA-N -1 3 338.379 2.444 20 10 EECDHM COc1cc(Cl)cc(CN2CCC(N(C)C(C)=O)CC2)c1[O-] ZINC000184684131 465017510 /nfs/dbraw/zinc/01/75/10/465017510.db2.gz BWGQYAIXBVTIQI-UHFFFAOYSA-N -1 3 326.824 2.497 20 10 EECDHM COc1cccc2c1OC[C@H](NC(=O)c1ccc(C)c(O)c1[O-])C2 ZINC000378573948 467345030 /nfs/dbraw/zinc/34/50/30/467345030.db2.gz SDLRMDCJSZCLSF-GFCCVEGCSA-N -1 3 329.352 2.148 20 10 EECDHM CCC(CC)N(CC)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000292149121 528774958 /nfs/dbraw/zinc/77/49/58/528774958.db2.gz MVIUXTQHKWUKGO-UHFFFAOYSA-N -1 3 328.434 2.414 20 10 EECDHM CC(C)(C)OC(=O)NC[C@@H]1CCN(C(=O)c2cc([O-])cs2)C1 ZINC000732283507 577166106 /nfs/dbraw/zinc/16/61/06/577166106.db2.gz LRTMRESIWFNIGG-JTQLQIEISA-N -1 3 326.418 2.441 20 10 EECDHM O=CN1CCc2cc(C(=O)COC(=O)c3cc([O-])cs3)ccc21 ZINC000732354628 577174690 /nfs/dbraw/zinc/17/46/90/577174690.db2.gz OVYPYESPCNCIPK-UHFFFAOYSA-N -1 3 331.349 2.012 20 10 EECDHM COc1cccc([O-])c1CN1CCN(C2=NCC(C)(C)S2)CC1 ZINC000768885681 577565003 /nfs/dbraw/zinc/56/50/03/577565003.db2.gz HXULYVPILKVTEK-UHFFFAOYSA-N -1 3 335.473 2.400 20 10 EECDHM COc1ccc(O)c([C@@H](C)[N-]S(=O)(=O)c2cccnc2Cl)c1 ZINC000751317984 577750684 /nfs/dbraw/zinc/75/06/84/577750684.db2.gz JEEVSEAKXMXAMA-SECBINFHSA-N -1 3 342.804 2.489 20 10 EECDHM CCNC(=O)[C@H](C)N[C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756355306 577842611 /nfs/dbraw/zinc/84/26/11/577842611.db2.gz LXBYVHDMDGKGCY-YUMQZZPRSA-N -1 3 333.201 2.469 20 10 EECDHM CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C)cc1 ZINC000743259514 577882318 /nfs/dbraw/zinc/88/23/18/577882318.db2.gz BWXCIPPBJDNXIQ-UHFFFAOYSA-N -1 3 348.424 2.180 20 10 EECDHM COc1ccc(O)c([C@H](C)NC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737106643 578238322 /nfs/dbraw/zinc/23/83/22/578238322.db2.gz WPTRKXDPOPFBPY-JTQLQIEISA-N -1 3 339.355 2.072 20 10 EECDHM COc1ccc(O)c([C@H](C)NC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737106643 578238323 /nfs/dbraw/zinc/23/83/23/578238323.db2.gz WPTRKXDPOPFBPY-JTQLQIEISA-N -1 3 339.355 2.072 20 10 EECDHM O=C(C=Cc1ccc(O)c(O)c1)OCc1cccc(-c2nnn[n-]2)c1 ZINC000822928591 607451977 /nfs/dbraw/zinc/45/19/77/607451977.db2.gz KTPIGFBFMUKPND-FNORWQNLSA-N -1 3 338.323 2.035 20 10 EECDHM O=C(C=Cc1ccc(O)c(O)c1)OCc1cccc(-c2nn[n-]n2)c1 ZINC000822928591 607451978 /nfs/dbraw/zinc/45/19/78/607451978.db2.gz KTPIGFBFMUKPND-FNORWQNLSA-N -1 3 338.323 2.035 20 10 EECDHM O=C1C(=Cc2ccc(-c3nnn[n-]3)cc2F)SC(=S)N1C1CC1 ZINC000823504184 607462582 /nfs/dbraw/zinc/46/25/82/607462582.db2.gz NCKMDSBHDFFIAB-WDZFZDKYSA-N -1 3 347.400 2.369 20 10 EECDHM O=C1C(=Cc2ccc(-c3nn[n-]n3)cc2F)SC(=S)N1C1CC1 ZINC000823504184 607462584 /nfs/dbraw/zinc/46/25/84/607462584.db2.gz NCKMDSBHDFFIAB-WDZFZDKYSA-N -1 3 347.400 2.369 20 10 EECDHM CCN(C(=O)C=Cc1cncc(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367526 607799725 /nfs/dbraw/zinc/79/97/25/607799725.db2.gz RVMZANOFVFIJOF-BAQGIRSFSA-N -1 3 338.346 2.467 20 10 EECDHM CCN(C(=O)C=Cc1cncc(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367526 607799726 /nfs/dbraw/zinc/79/97/26/607799726.db2.gz RVMZANOFVFIJOF-BAQGIRSFSA-N -1 3 338.346 2.467 20 10 EECDHM CN(Cc1c([O-])cccc1Br)C1CCS(=O)(=O)CC1 ZINC000707154042 1177417071 /nfs/dbraw/zinc/41/70/71/1177417071.db2.gz CGHNQTNHWQOZRP-UHFFFAOYSA-N -1 3 348.262 2.164 20 10 EECDHM O=C1COCC2(CN(Cc3cc(F)ccc3[O-])C2)N1CC1CCCC1 ZINC001273285791 1197956313 /nfs/dbraw/zinc/95/63/13/1197956313.db2.gz VLVMCCBKPPEPCO-UHFFFAOYSA-N -1 3 348.418 2.135 20 10 EECDHM CN1CCN(Cc2cc(Br)ccc2[O-])C(C)(C)C1=O ZINC000093642483 1214913543 /nfs/dbraw/zinc/91/35/43/1214913543.db2.gz LMXGSQGITIQIPN-UHFFFAOYSA-N -1 3 327.222 2.207 20 10 EECDHM COc1ccc(O)c([C@H](C)NC(=O)c2cc(F)cc3n[n-]nc32)c1 ZINC000800518667 1234252452 /nfs/dbraw/zinc/25/24/52/1234252452.db2.gz 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ZINC001277493458 1303670015 /nfs/dbraw/zinc/67/00/15/1303670015.db2.gz TYMSHNSNHGCXEU-YJYMSZOUSA-N -1 3 348.393 2.456 20 10 EECDHM CN(CC(=O)N1CCCC1)Cc1ccc(Br)cc1[O-] ZINC000691676139 1303786125 /nfs/dbraw/zinc/78/61/25/1303786125.db2.gz LMGIEKCXZCXVMI-UHFFFAOYSA-N -1 3 327.222 2.209 20 10 EECDHM COC(=O)[C@H]1CCCN1Cc1c([O-])cc(OC)cc1Br ZINC001237063497 1305785171 /nfs/dbraw/zinc/78/51/71/1305785171.db2.gz RVJDHVVGRYSIRI-GFCCVEGCSA-N -1 3 344.205 2.301 20 10 EECDHM CCNC(=O)CO[C@@H]1CCCN(Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001237948853 1306156745 /nfs/dbraw/zinc/15/67/45/1306156745.db2.gz IIGXUCYXEQFYOZ-GFCCVEGCSA-N -1 3 344.814 2.302 20 10 EECDHM C[C@H]1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2[O-])CCN1 ZINC001238990327 1309005565 /nfs/dbraw/zinc/00/55/65/1309005565.db2.gz UNEIGRHVRDAAJL-QMMMGPOBSA-N -1 3 339.244 2.072 20 10 EECDHM O=S(=O)([N-]CCc1ccc(O)c(O)c1)c1cccc(Cl)c1F ZINC001259471156 1319586174 /nfs/dbraw/zinc/58/61/74/1319586174.db2.gz FMSYYZDBGZHZGZ-UHFFFAOYSA-N -1 3 345.779 2.411 20 10 EECDHM Cc1ccnc(N[C@@H](C)Cc2ccc(O)c(O)c2)c1-c1nnn[n-]1 ZINC001609438778 1351977056 /nfs/dbraw/zinc/97/70/56/1351977056.db2.gz JHXCZWUXZQFYIR-JTQLQIEISA-N -1 3 326.360 2.024 20 10 EECDHM Cc1ccnc(N[C@@H](C)Cc2ccc(O)c(O)c2)c1-c1nn[n-]n1 ZINC001609438778 1351977059 /nfs/dbraw/zinc/97/70/59/1351977059.db2.gz JHXCZWUXZQFYIR-JTQLQIEISA-N -1 3 326.360 2.024 20 10 EECDHM C[C@@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609777061 1352082991 /nfs/dbraw/zinc/08/29/91/1352082991.db2.gz KPXBCKWJMKGTFR-MWLCHTKSSA-N -1 3 332.322 2.378 20 10 EECDHM CC[C@@H]([NH2+]CC[C@@H]1CCCOC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590464393 1349340224 /nfs/dbraw/zinc/34/02/24/1349340224.db2.gz CGSAFSZWGDQMQV-SWLSCSKDSA-N -1 3 331.420 2.430 20 10 EECDHM CC[C@H]([NH2+]C[C@@H]1CCN1C(C)(C)C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590466701 1349341377 /nfs/dbraw/zinc/34/13/77/1349341377.db2.gz MABPXDWBVZEMBV-WFASDCNBSA-N -1 3 344.463 2.486 20 10 EECDHM COCCc1ccnc(N[C@@H](C)c2cccc(-c3nn[nH]n3)c2[O-])c1 ZINC001591447722 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/nfs/dbraw/zinc/03/31/40/467033140.db2.gz PFVRCHZOVVONCW-UHFFFAOYSA-N -1 3 348.834 2.475 20 10 EECDHM COc1ccc(NC(=O)CN(C)Cc2ccccc2[O-])c(OC)c1 ZINC000109769338 534074915 /nfs/dbraw/zinc/07/49/15/534074915.db2.gz SXPIVIFCGKXKKE-UHFFFAOYSA-N -1 3 330.384 2.480 20 10 EECDHM CCN(CC(C)(C)C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000292038200 527945349 /nfs/dbraw/zinc/94/53/49/527945349.db2.gz DGRGVJUIHXTSIR-UHFFFAOYSA-N -1 3 328.434 2.272 20 10 EECDHM COC(=O)CN(CC(=O)OC(C)(C)C)Cc1cc(Cl)ccc1[O-] ZINC000731844481 577127586 /nfs/dbraw/zinc/12/75/86/577127586.db2.gz CFSRBNRSYFFTOO-UHFFFAOYSA-N -1 3 343.807 2.362 20 10 EECDHM O=C(CNC(=O)c1cc([O-])cs1)Nc1ccc(-n2cccn2)cc1 ZINC000732282435 577165997 /nfs/dbraw/zinc/16/59/97/577165997.db2.gz NZGBHGSLSPMNDL-UHFFFAOYSA-N -1 3 342.380 2.008 20 10 EECDHM CCN(CC(=O)N(C)C)Cc1cc(Br)cc(OC)c1[O-] ZINC000768306562 577553555 /nfs/dbraw/zinc/55/35/55/577553555.db2.gz DQGZWRMZWHSGCX-UHFFFAOYSA-N -1 3 345.237 2.073 20 10 EECDHM CCN(Cc1cc(Br)ccc1[O-])c1nccn(C)c1=O 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MRXSNHJWSKAUPU-INIZCTEOSA-N -1 3 347.459 2.117 20 10 EECDHM COCCCN(Cc1cc(Cl)ccc1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000120146648 1197839731 /nfs/dbraw/zinc/83/97/31/1197839731.db2.gz OKELKVCZVKCXGL-AWEZNQCLSA-N -1 3 347.864 2.071 20 10 EECDHM COC[C@H]1CN(Cc2ccc(Br)cc2[O-])C[C@@H](C)O1 ZINC000825633983 1198427928 /nfs/dbraw/zinc/42/79/28/1198427928.db2.gz GVELXXCGCQHHDH-ZWNOBZJWSA-N -1 3 330.222 2.390 20 10 EECDHM O=C(NC[C@@](O)(c1ccccc1)C(F)(F)F)c1cccc(O)c1[O-] ZINC000193007709 1210687235 /nfs/dbraw/zinc/68/72/35/1210687235.db2.gz FXEQLGXLCCFDEC-OAHLLOKOSA-N -1 3 341.285 2.278 20 10 EECDHM [O-]c1c(Cl)cccc1CN1C[C@@H]2OCCN(Cc3ccc[nH]3)[C@H]2C1 ZINC001276380325 1249964562 /nfs/dbraw/zinc/96/45/62/1249964562.db2.gz PIJZLGAJPGKMPT-IRXDYDNUSA-N -1 3 347.846 2.459 20 10 EECDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1cnc(=O)[nH]c1 ZINC001191182087 1281258140 /nfs/dbraw/zinc/25/81/40/1281258140.db2.gz BEMMHLLJXGJSTL-UHFFFAOYSA-N -1 3 330.731 2.019 20 10 EECDHM Cc1ccc(CCNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1 ZINC000116453052 1294278188 /nfs/dbraw/zinc/27/81/88/1294278188.db2.gz XWBCMQZDSKYJOG-UHFFFAOYSA-N -1 3 348.424 2.045 20 10 EECDHM O=C(c1ccccc1)c1ccc([O-])c(O)c1O[C@@H]1CCCOC1=O ZINC001227937375 1302016512 /nfs/dbraw/zinc/01/65/12/1302016512.db2.gz JFMTYYAAVFZMDW-CQSZACIVSA-N -1 3 328.320 2.413 20 10 EECDHM O=C(NCC(F)F)[C@]12C[C@H]1CCN2Cc1cc(Cl)ccc1[O-] ZINC001277457131 1303226427 /nfs/dbraw/zinc/22/64/27/1303226427.db2.gz HEZGCPPIQXUWAG-BMIGLBTASA-N -1 3 330.762 2.391 20 10 EECDHM CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3ccc(C(=O)[O-])cc3[O-])C[C@@H]21 ZINC001231453989 1303803937 /nfs/dbraw/zinc/80/39/37/1303803937.db2.gz MWSUMOOCHPDFOI-KBPBESRZSA-N -1 3 348.399 2.142 20 10 EECDHM CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(C(=O)[O-])cc3[O-])C[C@@H]21 ZINC001231453989 1303803940 /nfs/dbraw/zinc/80/39/40/1303803940.db2.gz MWSUMOOCHPDFOI-KBPBESRZSA-N -1 3 348.399 2.142 20 10 EECDHM COc1ccnc(O[C@@H]2CCN(Cc3cccc(Cl)c3[O-])C2)n1 ZINC001231913079 1303945475 /nfs/dbraw/zinc/94/54/75/1303945475.db2.gz FTVVPQHPUJHNON-GFCCVEGCSA-N -1 3 335.791 2.498 20 10 EECDHM Cc1cc(N2CCN(Cc3cc(Cl)c([O-])cc3O)CC2)ncn1 ZINC001232263979 1304058842 /nfs/dbraw/zinc/05/88/42/1304058842.db2.gz XQBJTPOJZAGUNZ-UHFFFAOYSA-N -1 3 334.807 2.172 20 10 EECDHM COC(=O)c1cc(Br)c([O-])c(CN2C[C@@H]3C[C@@H]3C2)c1 ZINC001233306145 1304424666 /nfs/dbraw/zinc/42/46/66/1304424666.db2.gz HFOYOUOSLVURNH-AOOOYVTPSA-N -1 3 326.190 2.393 20 10 EECDHM CC(C)NC(=O)N[C@H]1CCCN(Cc2c([O-])ccc(F)c2F)C1 ZINC001233336422 1304435424 /nfs/dbraw/zinc/43/54/24/1304435424.db2.gz KZRKKWYRBAYGFK-NSHDSACASA-N -1 3 327.375 2.342 20 10 EECDHM CCN1CC(Oc2cc([O-])cc3oc4cc(O)c(O)cc4c(=O)c23)C1 ZINC001234747824 1305018394 /nfs/dbraw/zinc/01/83/94/1305018394.db2.gz XBLVOFPPBFGOOE-UHFFFAOYSA-N -1 3 343.335 2.146 20 10 EECDHM COc1cc([O-])c(CN2CC3(C2)CCOC3)c(Br)c1 ZINC001237062649 1305782571 /nfs/dbraw/zinc/78/25/71/1305782571.db2.gz NJXKMUCUUWOTIG-UHFFFAOYSA-N -1 3 328.206 2.386 20 10 EECDHM Cc1cc([O-])c(CN2CC(=O)N3CCC[C@H]3C2)cc1Br ZINC001237678534 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CC[C@H]1CCC[C@H]1CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC001330790524 1334903678 /nfs/dbraw/zinc/90/36/78/1334903678.db2.gz XTFKRYZFBNNGIS-RYUDHWBXSA-N -1 3 340.445 2.320 20 10 EECDHM C[C@@H]1CN(Cc2c([O-])cccc2Br)C[C@H](C)[S@@]1=O ZINC000862342068 1369530667 /nfs/dbraw/zinc/53/06/67/1369530667.db2.gz MNBIYCCQWMHBHN-LCKNKQDLSA-N -1 3 332.263 2.496 20 10 EECDHM CC[C@@H]([NH2+]CC1([C@H](O)C(C)C)CC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590465720 1349341436 /nfs/dbraw/zinc/34/14/36/1349341436.db2.gz VNQVCAVYIVHLGY-GDBMZVCRSA-N -1 3 345.447 2.410 20 10 EECDHM CC[C@@H]([NH2+]CCO[C@H]1CC1(F)F)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590469574 1349345049 /nfs/dbraw/zinc/34/50/49/1349345049.db2.gz KUSIQQMHLWMNAE-NEPJUHHUSA-N -1 3 339.346 2.037 20 10 EECDHM C[C@H](C[C@H](O)c1ccco1)[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603463359 1350709296 /nfs/dbraw/zinc/70/92/96/1350709296.db2.gz INILEBWIUGMIFZ-GYSYKLTISA-N -1 3 343.387 2.328 20 10 EECDHM C[C@@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001604326118 1350916341 /nfs/dbraw/zinc/91/63/41/1350916341.db2.gz GLJSGGMGZFINQX-TZMCWYRMSA-N -1 3 344.415 2.144 20 10 EECDHM COc1cc(C(=O)N[C@H](C)c2ccccc2O)ccc1-c1nnn[n-]1 ZINC001605196709 1351100840 /nfs/dbraw/zinc/10/08/40/1351100840.db2.gz MUVLMGHQXVPVSK-SNVBAGLBSA-N -1 3 339.355 2.072 20 10 EECDHM COc1cc(C(=O)N[C@H](C)c2ccccc2O)ccc1-c1nn[n-]n1 ZINC001605196709 1351100845 /nfs/dbraw/zinc/10/08/45/1351100845.db2.gz MUVLMGHQXVPVSK-SNVBAGLBSA-N -1 3 339.355 2.072 20 10 EECDHM O=C(C=Cc1cncc(F)c1)N1CCc2c1cccc2-c1nnn[n-]1 ZINC001606486999 1351310345 /nfs/dbraw/zinc/31/03/45/1351310345.db2.gz CBANBLLKBAQWGE-PLNGDYQASA-N -1 3 336.330 2.003 20 10 EECDHM O=C(C=Cc1cncc(F)c1)N1CCc2c1cccc2-c1nn[n-]n1 ZINC001606486999 1351310347 /nfs/dbraw/zinc/31/03/47/1351310347.db2.gz CBANBLLKBAQWGE-PLNGDYQASA-N -1 3 336.330 2.003 20 10 EECDHM CN(C)c1cc(F)c(CNCCc2cccc(C(=O)[O-])n2)cc1F ZINC000864514529 1369605332 /nfs/dbraw/zinc/60/53/32/1369605332.db2.gz VUFXQNIZJJGDSO-UHFFFAOYSA-N -1 3 335.354 2.456 20 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LLZGMAZEXOZGEU-UHFFFAOYSA-N -1 3 339.351 2.369 20 10 EECDHM COC(=O)C[C@@H](NC(=O)c1cc(O)c([O-])c(O)c1)C1CCCCC1 ZINC001148590290 792573652 /nfs/dbraw/zinc/57/36/52/792573652.db2.gz GQMUDWSKVJYQJC-GFCCVEGCSA-N -1 3 337.372 2.045 20 10 EECDHM C[C@@H]1CN(Cc2cc(Br)ccc2[O-])C[C@H](C)[S@@]1=O ZINC000792192358 809647570 /nfs/dbraw/zinc/64/75/70/809647570.db2.gz NFNHPIBYZXUQLP-LCKNKQDLSA-N -1 3 332.263 2.496 20 10 EECDHM C[C@@H]([NH2+]C[C@H](O)Cc1ccc(F)cc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593246745 994457885 /nfs/dbraw/zinc/45/78/85/994457885.db2.gz OKSOKLHXJSFFDL-IAQYHMDHSA-N -1 3 333.359 2.484 20 10 EECDHM C[C@@H]([NH2+]CCc1cccc(C(N)=O)c1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593272637 994612289 /nfs/dbraw/zinc/61/22/89/994612289.db2.gz ANNPGJCFBBKCIP-LLVKDONJSA-N -1 3 328.368 2.083 20 10 EECDHM O=C(c1cccc(O)c1[O-])N1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000193167471 237371319 /nfs/dbraw/zinc/37/13/19/237371319.db2.gz UNHHTMRFDNQDHS-UHFFFAOYSA-N -1 3 345.370 2.447 20 10 EECDHM C[C@H](O)C(=O)N1CCN(Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000093706528 463044485 /nfs/dbraw/zinc/04/44/85/463044485.db2.gz VIBHKSDFDSIQMX-HNNXBMFYSA-N -1 3 340.423 2.084 20 10 EECDHM CCCN(CC(=O)Nc1ccccc1C(N)=O)Cc1ccccc1[O-] ZINC000068973698 463196494 /nfs/dbraw/zinc/19/64/94/463196494.db2.gz ATALKZMHIXNQAA-UHFFFAOYSA-N -1 3 341.411 2.342 20 10 EECDHM Cc1ccc(C(=O)N2CCN(CCc3ccccc3)CC2)c([O-])c1O ZINC000177664940 463759781 /nfs/dbraw/zinc/75/97/81/463759781.db2.gz SNECGRQVHYWIRN-UHFFFAOYSA-N -1 3 340.423 2.407 20 10 EECDHM CC1(C)CN(CC(F)(F)F)CCN1C(=O)c1cccc(O)c1[O-] ZINC000185909813 463904844 /nfs/dbraw/zinc/90/48/44/463904844.db2.gz ASNXNULYZLLSSY-UHFFFAOYSA-N -1 3 332.322 2.197 20 10 EECDHM COc1cc(Cl)cc(CN2C[C@H](C)S(=O)(=O)[C@@H](C)C2)c1[O-] ZINC000290800667 464133700 /nfs/dbraw/zinc/13/37/00/464133700.db2.gz FHDFVRQRXNEPJM-UWVGGRQHSA-N -1 3 333.837 2.062 20 10 EECDHM CC(C)(C)OC(=O)N1CCC[C@H]1CNC(=O)c1cccc(O)c1[O-] ZINC000276610437 464999979 /nfs/dbraw/zinc/99/99/79/464999979.db2.gz SNNLKWHHEHFIBM-NSHDSACASA-N -1 3 336.388 2.227 20 10 EECDHM CCS(=O)(=O)C[C@@H](C)N(C)Cc1cc(Cl)cc(OC)c1[O-] ZINC000184694170 465019292 /nfs/dbraw/zinc/01/92/92/465019292.db2.gz PZMNFAIVHDKMBO-SNVBAGLBSA-N -1 3 335.853 2.309 20 10 EECDHM Cc1ccc(C(=O)N2CCC(OC[C@H]3CCOC3)CC2)c([O-])c1O ZINC000368251528 466591365 /nfs/dbraw/zinc/59/13/65/466591365.db2.gz GCLNTQRJJIEUGH-ZDUSSCGKSA-N -1 3 335.400 2.064 20 10 EECDHM O=C([N-]C[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1)C(F)(F)F ZINC000291686520 534563835 /nfs/dbraw/zinc/56/38/35/534563835.db2.gz XQWCXPMLBZGVBR-JTQLQIEISA-N -1 3 334.313 2.422 20 10 EECDHM O=C([N-]C[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1)C(F)(F)F ZINC000291686520 534563837 /nfs/dbraw/zinc/56/38/37/534563837.db2.gz XQWCXPMLBZGVBR-JTQLQIEISA-N -1 3 334.313 2.422 20 10 EECDHM COC(=O)C[C@@H](NC(=O)c1cc([O-])cs1)c1ccc(OC)cc1 ZINC000732260918 577161481 /nfs/dbraw/zinc/16/14/81/577161481.db2.gz AZSIMECNZTZRLR-CYBMUJFWSA-N -1 3 335.381 2.497 20 10 EECDHM O=C(Nc1cccc(N2CCCS2(=O)=O)c1)c1cc([O-])cs1 ZINC000732270417 577162732 /nfs/dbraw/zinc/16/27/32/577162732.db2.gz BYEATWQWKPWFMR-UHFFFAOYSA-N -1 3 338.410 2.246 20 10 EECDHM O=C(N[C@H](Cc1ccccc1)CN1CCOCC1)c1cc([O-])cs1 ZINC000732303219 577164931 /nfs/dbraw/zinc/16/49/31/577164931.db2.gz XJPHXLDQVSAZSA-OAHLLOKOSA-N -1 3 346.452 2.127 20 10 EECDHM C[C@@H](OC(=O)c1cc([O-])cs1)C(=O)NC(=O)Nc1ccccc1 ZINC000732354592 577174843 /nfs/dbraw/zinc/17/48/43/577174843.db2.gz WTMYFYUETBTBGT-SECBINFHSA-N -1 3 334.353 2.347 20 10 EECDHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)ccc1F ZINC000776748445 577467040 /nfs/dbraw/zinc/46/70/40/577467040.db2.gz JCJKVUGKWIHJHZ-UHFFFAOYSA-N -1 3 339.344 2.427 20 10 EECDHM CC(C)(CO)N1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000769446152 577578121 /nfs/dbraw/zinc/57/81/21/577578121.db2.gz OPLXDASXYDQVMV-UHFFFAOYSA-N -1 3 343.265 2.043 20 10 EECDHM COC(=O)[C@@H]1CCN(Cc2cc(Br)cc(OC)c2[O-])C1 ZINC000768459969 577556195 /nfs/dbraw/zinc/55/61/95/577556195.db2.gz JARKMZDCWWKLJF-SECBINFHSA-N -1 3 344.205 2.158 20 10 EECDHM O=C1NC2(CO1)CCN(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])CC2 ZINC000753586048 577790416 /nfs/dbraw/zinc/79/04/16/577790416.db2.gz DGSRBWYXCFPVDM-UHFFFAOYSA-N -1 3 341.751 2.028 20 10 EECDHM COc1cc(Br)cc(CN2C[C@@H](OC)[C@@H](OC)C2)c1[O-] ZINC000754153318 577801261 /nfs/dbraw/zinc/80/12/61/577801261.db2.gz FAYJJRRNABGWIT-BETUJISGSA-N -1 3 346.221 2.009 20 10 EECDHM CC(C)(C(=O)[O-])[C@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000833420720 604867497 /nfs/dbraw/zinc/86/74/97/604867497.db2.gz ZAEOWQNXJNFARW-WFASDCNBSA-N -1 3 335.400 2.141 20 10 EECDHM CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000833420720 604867501 /nfs/dbraw/zinc/86/75/01/604867501.db2.gz ZAEOWQNXJNFARW-WFASDCNBSA-N -1 3 335.400 2.141 20 10 EECDHM COc1ccc(O)c([C@@H](C)NC(=O)c2cc(-c3nnn[n-]3)cs2)c1 ZINC000821837970 606583643 /nfs/dbraw/zinc/58/36/43/606583643.db2.gz IOCCHLCEMCUJRC-MRVPVSSYSA-N -1 3 345.384 2.133 20 10 EECDHM COc1ccc(O)c([C@@H](C)NC(=O)c2cc(-c3nn[n-]n3)cs2)c1 ZINC000821837970 606583645 /nfs/dbraw/zinc/58/36/45/606583645.db2.gz IOCCHLCEMCUJRC-MRVPVSSYSA-N -1 3 345.384 2.133 20 10 EECDHM O=C(NC1CCN(Cc2cc(F)c(F)cc2[O-])CC1)c1ccncc1 ZINC001142530327 1188234572 /nfs/dbraw/zinc/23/45/72/1188234572.db2.gz DJFOKIIJBSWOHW-UHFFFAOYSA-N -1 3 347.365 2.460 20 10 EECDHM CC(C)CN1CC2(CN(Cc3cc(Cl)ccc3[O-])C2)OCC1=O ZINC001272636119 1190942392 /nfs/dbraw/zinc/94/23/92/1190942392.db2.gz BLJDIOAENKFZBV-UHFFFAOYSA-N -1 3 338.835 2.115 20 10 EECDHM CC[C@H](C)N1C[C@]2(CCN(Cc3c([O-])cccc3F)C2)OCC1=O ZINC001273265518 1197887791 /nfs/dbraw/zinc/88/77/91/1197887791.db2.gz HDJQQKYKMKMTLS-SCLBCKFNSA-N -1 3 336.407 2.133 20 10 EECDHM COc1cccc2c1O[C@H](c1ccc([N+](=O)[O-])c(OC)c1[O-])NC2=O ZINC000877843108 1200138984 /nfs/dbraw/zinc/13/89/84/1200138984.db2.gz NBMSPPJJROVYII-MRXNPFEDSA-N -1 3 346.295 2.139 20 10 EECDHM COC(=O)[C@H](Cc1ccccc1)[C@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000803652446 1241146526 /nfs/dbraw/zinc/14/65/26/1241146526.db2.gz HMYPJSYNQRGYPH-SWLSCSKDSA-N -1 3 343.379 2.248 20 10 EECDHM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)c(C)cc1O ZINC001186927799 1279299306 /nfs/dbraw/zinc/29/93/06/1279299306.db2.gz NJMBIRYJNRESHD-UHFFFAOYSA-N -1 3 332.381 2.304 20 10 EECDHM NCc1ncc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])s1 ZINC001220212740 1298305553 /nfs/dbraw/zinc/30/55/53/1298305553.db2.gz UTUNZOBEPIMVAJ-UHFFFAOYSA-N -1 3 348.815 2.439 20 10 EECDHM O=C(c1ccccc1)c1ccc([O-])c(O)c1O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC001227940071 1302016827 /nfs/dbraw/zinc/01/68/27/1302016827.db2.gz HXLNCPHPSMZIAI-VRHCTWJESA-N -1 3 342.347 2.469 20 10 EECDHM COc1cc(NC(=O)c2ccc(C)c(O)c2[O-])ccc1NC(N)=O ZINC000780980901 1303719005 /nfs/dbraw/zinc/71/90/05/1303719005.db2.gz OLIKDFABQBVCTK-UHFFFAOYSA-N -1 3 331.328 2.158 20 10 EECDHM CC[C@H]1[N@H+](Cc2cc(C(=O)[O-])ccc2[O-])CCC[C@]12CCC(=O)N2 ZINC001231563721 1303847691 /nfs/dbraw/zinc/84/76/91/1303847691.db2.gz MUAGHIAOHOBRCU-QAPCUYQASA-N -1 3 332.400 2.114 20 10 EECDHM CC[C@H]1[N@@H+](Cc2cc(C(=O)[O-])ccc2[O-])CCC[C@]12CCC(=O)N2 ZINC001231563721 1303847695 /nfs/dbraw/zinc/84/76/95/1303847695.db2.gz MUAGHIAOHOBRCU-QAPCUYQASA-N -1 3 332.400 2.114 20 10 EECDHM CCOC(=O)[C@@H]1C(=O)CCCN1Cc1cc(Cl)c(C)cc1[O-] ZINC001231871079 1303935314 /nfs/dbraw/zinc/93/53/14/1303935314.db2.gz XZDAYXJJQPRFAC-HNNXBMFYSA-N -1 3 325.792 2.451 20 10 EECDHM CNC(=O)N[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233419949 1304461708 /nfs/dbraw/zinc/46/17/08/1304461708.db2.gz SMTKFUMKNVKZAW-NSHDSACASA-N -1 3 331.338 2.304 20 10 EECDHM Cc1cc([O-])c(CN2CCO[C@]3(CCOC3)C2)cc1Br ZINC001237681905 1306043928 /nfs/dbraw/zinc/04/39/28/1306043928.db2.gz UHMIAMHSUYGULW-OAHLLOKOSA-N -1 3 342.233 2.454 20 10 EECDHM O=S(=O)(CCc1ccccc1F)NCc1c([O-])cccc1F ZINC001309879600 1331645965 /nfs/dbraw/zinc/64/59/65/1331645965.db2.gz VFGUWRKURHAKMS-UHFFFAOYSA-N -1 3 327.352 2.333 20 10 EECDHM Cc1nnc(CN[C@H](C)c2ccc(Br)cc2[O-])n1C ZINC001321023566 1332999419 /nfs/dbraw/zinc/99/94/19/1332999419.db2.gz NQJRRFDDKYSCPB-MRVPVSSYSA-N -1 3 325.210 2.442 20 10 EECDHM C[C@@H]([NH2+]C[C@@H](O)c1ccsc1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589978542 1349088928 /nfs/dbraw/zinc/08/89/28/1349088928.db2.gz NZGSRDUBMRXUQC-NOZJJQNGSA-N -1 3 331.401 2.018 20 10 EECDHM CC[C@H]([NH2+][C@H]1CN(C2CC2)C[C@H]1C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590465012 1349340154 /nfs/dbraw/zinc/34/01/54/1349340154.db2.gz GYVDMTBPXPFZIY-RLCCDNCMSA-N -1 3 342.447 2.096 20 10 EECDHM C[C@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603655895 1350735005 /nfs/dbraw/zinc/73/50/05/1350735005.db2.gz GBIIKWLHSKTPQG-NWDGAFQWSA-N -1 3 330.436 2.096 20 10 EECDHM C[C@H]([NH2+]C[C@@H]1CCOC(C)(C)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603656307 1350735570 /nfs/dbraw/zinc/73/55/70/1350735570.db2.gz GCJAAVKBEISRNF-NWDGAFQWSA-N -1 3 331.420 2.428 20 10 EECDHM CC[C@H]([NH2+]Cc1cnccc1OC)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604059880 1350843611 /nfs/dbraw/zinc/84/36/11/1350843611.db2.gz BALPITXNOYBCDR-AWEZNQCLSA-N -1 3 340.387 2.217 20 10 EECDHM C[C@H]([NH2+]CC1(S(C)(=O)=O)CCCC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001604338164 1350919245 /nfs/dbraw/zinc/91/92/45/1350919245.db2.gz QQSXFGFFNYFILE-NSHDSACASA-N -1 3 341.429 2.098 20 10 EECDHM CN(C)c1cc(F)c(CN[C@]2(CC(=O)[O-])CCCOC2)cc1F ZINC001606049665 1351266161 /nfs/dbraw/zinc/26/61/61/1351266161.db2.gz CXNQTRCMXARWQN-INIZCTEOSA-N -1 3 328.359 2.144 20 10 EECDHM COc1cc(Cl)cc(C[NH2+][C@@H](Cc2cncs2)C(=O)[O-])c1[O-] ZINC001607167235 1351441622 /nfs/dbraw/zinc/44/16/22/1351441622.db2.gz OOAZCCJAFLPBFT-NSHDSACASA-N -1 3 342.804 2.296 20 10 EECDHM CCCCN(Cc1cc(F)cc(F)c1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000893895658 780295450 /nfs/dbraw/zinc/29/54/50/780295450.db2.gz IRXCHFPGEKNYTR-CYBMUJFWSA-N -1 3 333.400 2.460 20 10 EECDHM C[C@@H]1CN(CC(C)(C)O)CCN1Cc1cc(Cl)c(F)cc1[O-] ZINC000816583363 784120083 /nfs/dbraw/zinc/12/00/83/784120083.db2.gz JEKRMIHDMNGQEB-LLVKDONJSA-N -1 3 330.831 2.462 20 10 EECDHM COC(=O)[C@@]1(c2ccccc2)CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000816823887 784291702 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COc1cc(Br)cc(C[N@H+]2CC[C@@H](C(=O)[O-])[C@H]2C)c1[O-] ZINC001599346296 998012484 /nfs/dbraw/zinc/01/24/84/998012484.db2.gz DDEZDQGKVAKDOC-LDYMZIIASA-N -1 3 344.205 2.458 20 10 EECDHM CNC(=O)c1cccc(NC(=O)[C@H](C)N(C)Cc2ccccc2[O-])c1 ZINC000111235228 529949973 /nfs/dbraw/zinc/94/99/73/529949973.db2.gz LEKGXAZCZJEUMR-ZDUSSCGKSA-N -1 3 341.411 2.211 20 10 EECDHM CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000568291940 468316565 /nfs/dbraw/zinc/31/65/65/468316565.db2.gz YOKBAPLJRFAGNQ-UHFFFAOYSA-N -1 3 340.383 2.165 20 10 EECDHM CC(=O)c1cc(F)cc(CN2CCN(C3CCOCC3)CC2)c1[O-] ZINC000079496508 463220625 /nfs/dbraw/zinc/22/06/25/463220625.db2.gz YXRGTHAQILRVPT-UHFFFAOYSA-N -1 3 336.407 2.031 20 10 EECDHM Cc1nc(C)c(CCC(=O)N(C)Cc2ccc(N(C)C)cc2)c(=O)[n-]1 ZINC000057810153 463520019 /nfs/dbraw/zinc/52/00/19/463520019.db2.gz FHEDXUMGQFAUCK-UHFFFAOYSA-N -1 3 342.443 2.044 20 10 EECDHM COC[C@H](C1CC1)N1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277190107 463903955 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COC(=O)CN(CCC(=O)OC(C)C)Cc1cc(Cl)ccc1[O-] ZINC000744401282 577897250 /nfs/dbraw/zinc/89/72/50/577897250.db2.gz CSZYATMXEQRVDN-UHFFFAOYSA-N -1 3 343.807 2.362 20 10 EECDHM O=C(NCc1cc(F)ccc1N1CCOCC1)c1cc([O-])cs1 ZINC000740936439 578109442 /nfs/dbraw/zinc/10/94/42/578109442.db2.gz LSZOQRNQGSZSAQ-UHFFFAOYSA-N -1 3 336.388 2.359 20 10 EECDHM CCOc1ccc(O)c(CNCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000736646536 578216279 /nfs/dbraw/zinc/21/62/79/578216279.db2.gz IAGWPZMQIQUVSQ-UHFFFAOYSA-N -1 3 343.362 2.400 20 10 EECDHM CN(c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])[C@@H]1CCN(C2CC2)C1 ZINC000737501053 578261021 /nfs/dbraw/zinc/26/10/21/578261021.db2.gz MYHFATILEVSCFF-UFZAZABTSA-N -1 3 331.372 2.366 20 10 EECDHM COc1ccc2c(c1)CCN2Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000821849338 607443143 /nfs/dbraw/zinc/44/31/43/607443143.db2.gz DTOGDJAWJVJVDW-UHFFFAOYSA-N -1 3 347.382 2.086 20 10 EECDHM COc1ccc2c(c1)CCN2Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000821849338 607443144 /nfs/dbraw/zinc/44/31/44/607443144.db2.gz 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ZINC000825568137 1198376554 /nfs/dbraw/zinc/37/65/54/1198376554.db2.gz SLRXAAVPAMNTSQ-AWEZNQCLSA-N -1 3 326.190 2.436 20 10 EECDHM C[C@@H]1CN(Cc2ccc(Br)cc2[O-])C[C@H](C)[S@@]1=O ZINC000825685693 1198670082 /nfs/dbraw/zinc/67/00/82/1198670082.db2.gz JSIPUPZKEDZIQV-LCKNKQDLSA-N -1 3 332.263 2.496 20 10 EECDHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](C)c1ccccc1O ZINC000867833966 1201690422 /nfs/dbraw/zinc/69/04/22/1201690422.db2.gz ITAXRTJOOJROKN-QMMMGPOBSA-N -1 3 329.809 2.127 20 10 EECDHM CC(C)(O)CN1CCN(Cc2cccc(Br)c2[O-])CC1 ZINC000129988791 1201931486 /nfs/dbraw/zinc/93/14/86/1201931486.db2.gz MVQZYIXQQCWRNG-UHFFFAOYSA-N -1 3 343.265 2.043 20 10 EECDHM O=[N+]([O-])c1cc(Cl)cc(CN2CCN(CC3CC3)CC2)c1[O-] ZINC000130652842 1201991432 /nfs/dbraw/zinc/99/14/32/1201991432.db2.gz VWOLKRNVHFBLPE-UHFFFAOYSA-N -1 3 325.796 2.481 20 10 EECDHM CCCN(CC(=O)N(C)C)Cc1cccc(Br)c1[O-] ZINC000133661831 1202226778 /nfs/dbraw/zinc/22/67/78/1202226778.db2.gz ZCWSEBZYSDNGFA-UHFFFAOYSA-N -1 3 329.238 2.455 20 10 EECDHM CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000075815805 1208865048 /nfs/dbraw/zinc/86/50/48/1208865048.db2.gz MAHUGLUZNGWJIH-UHFFFAOYSA-N -1 3 342.443 2.044 20 10 EECDHM Cc1ccc(C(=O)NCCC(=O)N[C@H](C)c2ccccc2O)c([O-])c1 ZINC000827940887 1249132435 /nfs/dbraw/zinc/13/24/35/1249132435.db2.gz JTKFEYALMKGRLV-CYBMUJFWSA-N -1 3 342.395 2.404 20 10 EECDHM O=c1cccc(CN2CC3(C2)CN(Cc2cccc(Cl)c2[O-])C3)[nH]1 ZINC001276380215 1249804962 /nfs/dbraw/zinc/80/49/62/1249804962.db2.gz KJOSTIRETZXMQD-UHFFFAOYSA-N -1 3 345.830 2.464 20 10 EECDHM O=C(c1cccc(O)c1[O-])N1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000855753778 1293318681 /nfs/dbraw/zinc/31/86/81/1293318681.db2.gz PHIPWRYZHXZNRG-LSDHHAIUSA-N -1 3 327.380 2.336 20 10 EECDHM O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1ccccc1[O-] ZINC000856210232 1293445294 /nfs/dbraw/zinc/44/52/94/1293445294.db2.gz SRYBOQWTVDJJNQ-UHFFFAOYSA-N -1 3 326.396 2.283 20 10 EECDHM CN(Cc1c([O-])cccc1Br)[C@@H]1CCCCNC1=O ZINC000862237669 1295764140 /nfs/dbraw/zinc/76/41/40/1295764140.db2.gz 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COc1c([O-])c(CNc2ccc(C(N)=O)c(C)c2)ccc1[N+](=O)[O-] ZINC000798084883 1304916994 /nfs/dbraw/zinc/91/69/94/1304916994.db2.gz IJOPJJZANYQMDX-UHFFFAOYSA-N -1 3 331.328 2.328 20 10 EECDHM COc1cc([O-])c(CN2CCN(C(=O)C(C)C)CC2)c(Cl)c1 ZINC001236805435 1305680802 /nfs/dbraw/zinc/68/08/02/1305680802.db2.gz GIFYLONBVXLHBX-UHFFFAOYSA-N -1 3 326.824 2.354 20 10 EECDHM [O-]c1ccc(Br)cc1CN1CCN[C@@H](C(F)(F)F)C1 ZINC001236983628 1305759894 /nfs/dbraw/zinc/75/98/94/1305759894.db2.gz URDIYKAUHQBVNK-LLVKDONJSA-N -1 3 339.155 2.491 20 10 EECDHM COc1cc([O-])c(CN2Cc3cncnc3C2)c(Br)c1 ZINC001237064088 1305785437 /nfs/dbraw/zinc/78/54/37/1305785437.db2.gz WOIJVOUUKWUMNM-UHFFFAOYSA-N -1 3 336.189 2.469 20 10 EECDHM CC(=O)c1cc(F)cc(CN2CCN(C(=O)CC(C)C)CC2)c1[O-] ZINC001116216225 1305861633 /nfs/dbraw/zinc/86/16/33/1305861633.db2.gz MHPGSLVHLLATQS-UHFFFAOYSA-N -1 3 336.407 2.424 20 10 EECDHM CO[C@@H](C)C1CN(Cc2cccc(I)c2[O-])C1 ZINC001237790342 1306093519 /nfs/dbraw/zinc/09/35/19/1306093519.db2.gz 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346.196 2.488 20 10 EECDHM O=C1[C@H](NCc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@@H]2CCCCN12 ZINC000835073530 1372587160 /nfs/dbraw/zinc/58/71/60/1372587160.db2.gz MTEBNQGNDXNTGL-NWDGAFQWSA-N -1 3 339.779 2.197 20 10 EECDHM C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1CCCCC1 ZINC000175321793 773563670 /nfs/dbraw/zinc/56/36/70/773563670.db2.gz CHBWQJKLYFKBCL-LLVKDONJSA-N -1 3 340.445 2.462 20 10 EECDHM O=C(CC1CC1)NCCC1=CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001089797928 775794380 /nfs/dbraw/zinc/79/43/80/775794380.db2.gz MJYDMXUMBPQEDG-UHFFFAOYSA-N -1 3 346.387 2.138 20 10 EECDHM CN(Cc1ccccc1S(N)(=O)=O)Cc1c([O-])cccc1Cl ZINC000816626465 784138224 /nfs/dbraw/zinc/13/82/24/784138224.db2.gz JVTNHJUPHCAYNY-UHFFFAOYSA-N -1 3 340.832 2.325 20 10 EECDHM COC(=O)[C@H]1CCc2sc(NC(=O)c3cccc(O)c3[O-])nc2C1 ZINC000817629451 784861602 /nfs/dbraw/zinc/86/16/02/784861602.db2.gz BVNWSZWZGPSCJB-QMMMGPOBSA-N -1 3 348.380 2.085 20 10 EECDHM O=C(Nc1cc(-c2ccncc2)c[nH]c1=O)c1cc(O)c([O-])c(O)c1 ZINC001148581729 792566631 /nfs/dbraw/zinc/56/66/31/792566631.db2.gz TWZSXCMRBHVLDW-UHFFFAOYSA-N -1 3 339.307 2.218 20 10 EECDHM Cn1c(CNC(=O)c2cc(O)c([O-])c(O)c2)ccc1C(F)(F)F ZINC001148585855 792571778 /nfs/dbraw/zinc/57/17/78/792571778.db2.gz BAQGYEAWLLUVRJ-UHFFFAOYSA-N -1 3 330.262 2.091 20 10 EECDHM CC(C)N(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1CCC1 ZINC000091730263 795567108 /nfs/dbraw/zinc/56/71/08/795567108.db2.gz NOICSYFVTRJUGS-UHFFFAOYSA-N -1 3 326.418 2.167 20 10 EECDHM C[C@@H]([NH2+]C[C@@H](O)COc1ccc(F)cc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593246250 994449307 /nfs/dbraw/zinc/44/93/07/994449307.db2.gz JDKRRVQMLSFOME-BXUZGUMPSA-N -1 3 349.358 2.320 20 10 EECDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1C[C@@H]1CCCCO1 ZINC000277192480 463905029 /nfs/dbraw/zinc/90/50/29/463905029.db2.gz DCZGPHUFYBBYHO-ZDUSSCGKSA-N -1 3 338.791 2.379 20 10 EECDHM COc1c([O-])c(CN2CCS[C@H]3COCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000278302034 463962095 /nfs/dbraw/zinc/96/20/95/463962095.db2.gz VWLNUNCHMWWXPO-AAEUAGOBSA-N -1 3 340.401 2.015 20 10 EECDHM O=C(CN1CCN(Cc2ccccc2[O-])CC1)Nc1ccc(F)cc1 ZINC000179553683 464157069 /nfs/dbraw/zinc/15/70/69/464157069.db2.gz BQBZIAUTDXOQAV-UHFFFAOYSA-N -1 3 343.402 2.288 20 10 EECDHM CCC1(C)CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000263710419 464162180 /nfs/dbraw/zinc/16/21/80/464162180.db2.gz QGZIKRQGKKJABU-UHFFFAOYSA-N -1 3 340.445 2.416 20 10 EECDHM CN(C)c1ncc(CN(Cc2ccccc2[O-])C[C@H]2CCCO2)cn1 ZINC000270988324 464273678 /nfs/dbraw/zinc/27/36/78/464273678.db2.gz GQUBXGQRRRBDOM-QGZVFWFLSA-N -1 3 342.443 2.429 20 10 EECDHM CC1(C)CCC[C@@H]1CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000294159240 464434830 /nfs/dbraw/zinc/43/48/30/464434830.db2.gz MYRLKJWMHDUVCR-LLVKDONJSA-N -1 3 340.445 2.320 20 10 EECDHM Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)nc2C)c([O-])c1O ZINC000272731157 464686016 /nfs/dbraw/zinc/68/60/16/464686016.db2.gz JZVYTDXNKGWVBN-UHFFFAOYSA-N -1 3 343.383 2.199 20 10 EECDHM CC(=O)c1cc(F)cc(CN2C[C@H](N3CCOCC3)C[C@H]2C)c1[O-] ZINC000285773371 464690474 /nfs/dbraw/zinc/69/04/74/464690474.db2.gz DNPMKFZPFPMXKB-MLGOLLRUSA-N -1 3 336.407 2.029 20 10 EECDHM C[C@@H](N[C@H]1CCN(CC(F)(F)F)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273517965 464719629 /nfs/dbraw/zinc/71/96/29/464719629.db2.gz SXLCWBHZUBGTDF-KCJUWKMLSA-N -1 3 347.293 2.114 20 10 EECDHM COc1cc(Cl)cc(CN2CCN(C(=O)C(C)C)CC2)c1[O-] ZINC000273744773 464724345 /nfs/dbraw/zinc/72/43/45/464724345.db2.gz MPGQASOEDCPMRE-UHFFFAOYSA-N -1 3 326.824 2.354 20 10 EECDHM COC(=O)[C@]12CN(C(=O)c3ccc(C)c(O)c3[O-])C[C@H]1CCCC2 ZINC000286177834 464830068 /nfs/dbraw/zinc/83/00/68/464830068.db2.gz JPKCDGGVULZZHA-KZULUSFZSA-N -1 3 333.384 2.212 20 10 EECDHM C[C@H]1CN(Cc2cc(Br)ccc2[O-])CCS(=O)(=O)C1 ZINC000192068638 533950755 /nfs/dbraw/zinc/95/07/55/533950755.db2.gz XFOGFVOYHJRRJB-JTQLQIEISA-N -1 3 348.262 2.021 20 10 EECDHM COC(=O)c1ccc(NC(=O)COC(=O)c2cc([O-])cs2)cc1 ZINC000731911576 577133325 /nfs/dbraw/zinc/13/33/25/577133325.db2.gz MEXAJZRUUPBEBU-UHFFFAOYSA-N -1 3 335.337 2.036 20 10 EECDHM Cc1cccc(C)c1-n1nnnc1COC(=O)c1cc([O-])cs1 ZINC000732354450 577174763 /nfs/dbraw/zinc/17/47/63/577174763.db2.gz MQGIOYNDXIXPKV-UHFFFAOYSA-N -1 3 330.369 2.403 20 10 EECDHM COC(=O)c1ccccc1N(C)C(=O)COC(=O)c1cc([O-])cs1 ZINC000732353717 577174808 /nfs/dbraw/zinc/17/48/08/577174808.db2.gz SPARQERJSRCLFW-UHFFFAOYSA-N -1 3 349.364 2.060 20 10 EECDHM CCNS(=O)(=O)CCN[C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774241961 577391206 /nfs/dbraw/zinc/39/12/06/577391206.db2.gz ZPULDDUMQQFARV-MRVPVSSYSA-N -1 3 341.260 2.289 20 10 EECDHM CCOc1ccc(CN2CCCC[C@@H](S(C)(=O)=O)C2)c([O-])c1 ZINC000775190363 577432264 /nfs/dbraw/zinc/43/22/64/577432264.db2.gz AAZZDROBQCCORY-OAHLLOKOSA-N -1 3 327.446 2.190 20 10 EECDHM COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc([O-])cs1 ZINC000776269789 577456124 /nfs/dbraw/zinc/45/61/24/577456124.db2.gz HSIMFFHFHVYSKV-AWEZNQCLSA-N -1 3 344.392 2.449 20 10 EECDHM Cc1cc(NC(=O)c2cccc(O)c2[O-])ccc1N1C(=O)CCC1=O ZINC000776654779 577465373 /nfs/dbraw/zinc/46/53/73/577465373.db2.gz UPHNYSBDYJVKQS-UHFFFAOYSA-N -1 3 340.335 2.312 20 10 EECDHM Cc1cc([N-]S(=O)(=O)c2ccc(N3CCOC3=O)cc2)ccc1O ZINC000776747671 577467005 /nfs/dbraw/zinc/46/70/05/577467005.db2.gz JTOHRODLHNLPRO-UHFFFAOYSA-N -1 3 348.380 2.458 20 10 EECDHM Cc1nc(C2(NCc3cc4c(cc3[O-])OC[C@H]4O)CCCCC2)no1 ZINC000768453353 577556089 /nfs/dbraw/zinc/55/60/89/577556089.db2.gz VMGBGYRQLOAXJA-OAHLLOKOSA-N -1 3 345.399 2.459 20 10 EECDHM CCOc1ccc(CN2CCO[C@@H](C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000769467533 577578596 /nfs/dbraw/zinc/57/85/96/577578596.db2.gz XUUGEUYHPAJDRX-MRXNPFEDSA-N -1 3 337.416 2.333 20 10 EECDHM Cc1cc(CN2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)no1 ZINC000761069846 577675500 /nfs/dbraw/zinc/67/55/00/577675500.db2.gz PICUQLAHYYFNET-UHFFFAOYSA-N -1 3 335.747 2.306 20 10 EECDHM CCc1ncc(S(=O)(=O)[N-]Cc2ccc(N(C)C)c(F)c2)s1 ZINC000763580589 577723004 /nfs/dbraw/zinc/72/30/04/577723004.db2.gz SMQZISDXFANMPU-UHFFFAOYSA-N -1 3 343.449 2.389 20 10 EECDHM Cc1cc(N2CCC(NC(=O)c3cc([O-])cs3)CC2)nc(C)n1 ZINC000749546038 577977864 /nfs/dbraw/zinc/97/78/64/577977864.db2.gz SXSVIDNFHTWAOH-UHFFFAOYSA-N -1 3 332.429 2.259 20 10 EECDHM COC(=O)[C@@H](Sc1nccs1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736901618 578229306 /nfs/dbraw/zinc/22/93/06/578229306.db2.gz NDIFKFUHKMATPH-JTQLQIEISA-N -1 3 333.398 2.330 20 10 EECDHM COC(=O)[C@@H](Sc1nccs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736901618 578229307 /nfs/dbraw/zinc/22/93/07/578229307.db2.gz NDIFKFUHKMATPH-JTQLQIEISA-N -1 3 333.398 2.330 20 10 EECDHM Cn1cc([C@@H]2C[S@](=O)CCN2Cc2cc(Cl)ccc2[O-])cn1 ZINC000895376354 684560152 /nfs/dbraw/zinc/56/01/52/684560152.db2.gz YDOHNTJEAYXMNG-RCDICMHDSA-N -1 3 339.848 2.085 20 10 EECDHM N#Cc1c(F)cccc1N1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000186916114 684560601 /nfs/dbraw/zinc/56/06/01/684560601.db2.gz QNLVYOZJIMUVAM-UHFFFAOYSA-N -1 3 341.342 2.071 20 10 EECDHM CS(=O)(=O)C[C@@H]1CCN(Cc2ccc(Br)cc2[O-])C1 ZINC000825974724 1199952684 /nfs/dbraw/zinc/95/26/84/1199952684.db2.gz DFJJRNNJKNIKHH-SNVBAGLBSA-N -1 3 348.262 2.021 20 10 EECDHM [O-]c1cc(F)cc(F)c1CN1CC2(C1)CCN(Cc1cn[nH]c1)C2 ZINC001275307046 1205305033 /nfs/dbraw/zinc/30/50/33/1205305033.db2.gz WKAPSGMQZLWNPH-UHFFFAOYSA-N -1 3 334.370 2.101 20 10 EECDHM CC1(C)CN(Cc2c([O-])cccc2Br)C[C@@H](CO)O1 ZINC000862396385 1295824854 /nfs/dbraw/zinc/82/48/54/1295824854.db2.gz NTXKEIOXMIKEPU-JTQLQIEISA-N -1 3 330.222 2.126 20 10 EECDHM COC(=O)[C@@H](C)Oc1cccc2c1C(=O)c1c([O-])cccc1C2=O ZINC001226379673 1301386178 /nfs/dbraw/zinc/38/61/78/1301386178.db2.gz HHTLLCVTNISVFA-SECBINFHSA-N -1 3 326.304 2.108 20 10 EECDHM C[C@@H](CN(C)C)Oc1ccc2c(c1)C(=O)c1ccc([O-])cc1C2=O ZINC001229192594 1302664779 /nfs/dbraw/zinc/66/47/79/1302664779.db2.gz PGKOFXVRUUROIT-NSHDSACASA-N -1 3 325.364 2.497 20 10 EECDHM Cc1ccc(N2CCN(Cc3ccc(C(=O)[O-])cc3O)CC2)nc1 ZINC001231452223 1303802505 /nfs/dbraw/zinc/80/25/05/1303802505.db2.gz HSDXDWZQHYJOOW-UHFFFAOYSA-N -1 3 327.384 2.116 20 10 EECDHM Cc1cnccc1O[C@H]1CC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231454483 1303802886 /nfs/dbraw/zinc/80/28/86/1303802886.db2.gz YHFVTFCRNUZXLS-HNNXBMFYSA-N -1 3 328.368 2.447 20 10 EECDHM Cc1cnccc1O[C@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231454483 1303802890 /nfs/dbraw/zinc/80/28/90/1303802890.db2.gz YHFVTFCRNUZXLS-HNNXBMFYSA-N -1 3 328.368 2.447 20 10 EECDHM O=C([O-])c1ccc([O-])c(C[N@@H+]2CCC[C@H](C(=O)N3CCCCC3)C2)c1 ZINC001231564062 1303847794 /nfs/dbraw/zinc/84/77/94/1303847794.db2.gz NRUMKLAWZIPBHH-HNNXBMFYSA-N -1 3 346.427 2.315 20 10 EECDHM O=C([O-])c1ccc([O-])c(C[N@H+]2CCC[C@H](C(=O)N3CCCCC3)C2)c1 ZINC001231564062 1303847802 /nfs/dbraw/zinc/84/78/02/1303847802.db2.gz NRUMKLAWZIPBHH-HNNXBMFYSA-N -1 3 346.427 2.315 20 10 EECDHM COC[C@H]1c2nnn(C)c2CCN1Cc1cc(Cl)c(C)cc1[O-] ZINC001231865972 1303933967 /nfs/dbraw/zinc/93/39/67/1303933967.db2.gz AMJZLLAEBJTRSV-AWEZNQCLSA-N -1 3 336.823 2.228 20 10 EECDHM C[C@@H]1CN(Cc2ccc(I)cc2[O-])CCC1=O ZINC001232975169 1304313179 /nfs/dbraw/zinc/31/31/79/1304313179.db2.gz XHAAWUDWAPYWSQ-SECBINFHSA-N -1 3 345.180 2.408 20 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OZLXTPPNQGQJKC-SKDRFNHKSA-N -1 3 347.196 2.200 20 10 EECDHM C[C@@H]1COCCN(Cc2cccc(I)c2[O-])C1 ZINC001237778284 1306085716 /nfs/dbraw/zinc/08/57/16/1306085716.db2.gz WDGRBTUKQYGUSX-JTQLQIEISA-N -1 3 347.196 2.465 20 10 EECDHM O=C(N[C@@H]1CCCN(Cc2cccc(F)c2[O-])C1)c1cccnc1 ZINC001138130981 1314550816 /nfs/dbraw/zinc/55/08/16/1314550816.db2.gz MPIPLJJSRFLQCY-OAHLLOKOSA-N -1 3 329.375 2.321 20 10 EECDHM Cc1cc(=O)oc2c1ccc([O-])c2CN1CCC(F)(F)[C@H](CO)C1 ZINC001139126200 1314707683 /nfs/dbraw/zinc/70/76/83/1314707683.db2.gz ADAYYWOFKRXSRT-NSHDSACASA-N -1 3 339.338 2.257 20 10 EECDHM [O-]c1cccc(Br)c1CN1CC(N2CC[C@H](F)C2)C1 ZINC001140101300 1314811392 /nfs/dbraw/zinc/81/13/92/1314811392.db2.gz QLFUQZRXUCTSMW-JTQLQIEISA-N -1 3 329.213 2.383 20 10 EECDHM CCOC(=O)[C@@]12CCO[C@@H]1CCN(Cc1c([O-])cc(F)cc1F)C2 ZINC001140580841 1314909424 /nfs/dbraw/zinc/90/94/24/1314909424.db2.gz HTWYIBNNAAEHTR-NVXWUHKLSA-N -1 3 341.354 2.215 20 10 EECDHM C[C@@H]1CC(C)(C)CN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000839877510 1315257550 /nfs/dbraw/zinc/25/75/50/1315257550.db2.gz PNJALTFVMKQZBP-SNVBAGLBSA-N -1 3 326.418 2.024 20 10 EECDHM C[C@@H](OC(=O)c1cccc(O)c1O)c1cccc(-c2nnn[n-]2)c1 ZINC001590009811 1349106824 /nfs/dbraw/zinc/10/68/24/1349106824.db2.gz DAJBBMSBBNXKGH-SECBINFHSA-N -1 3 326.312 2.196 20 10 EECDHM C[C@@H](OC(=O)c1cccc(O)c1O)c1cccc(-c2nn[n-]n2)c1 ZINC001590009811 1349106828 /nfs/dbraw/zinc/10/68/28/1349106828.db2.gz DAJBBMSBBNXKGH-SECBINFHSA-N -1 3 326.312 2.196 20 10 EECDHM Cc1ccc(O)c(CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])c1 ZINC001581209438 1344597033 /nfs/dbraw/zinc/59/70/33/1344597033.db2.gz GUOOJXXNUUYBPZ-UHFFFAOYSA-N -1 3 326.316 2.401 20 10 EECDHM Cc1ccc(O)c(CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])c1 ZINC001581209438 1344597034 /nfs/dbraw/zinc/59/70/34/1344597034.db2.gz GUOOJXXNUUYBPZ-UHFFFAOYSA-N -1 3 326.316 2.401 20 10 EECDHM C[C@H](C[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-])N1CCCCC1 ZINC001589959151 1349080707 /nfs/dbraw/zinc/08/07/07/1349080707.db2.gz NQXLHSUVODZKAF-CHWSQXEVSA-N -1 3 330.436 2.097 20 10 EECDHM C[C@@H]([NH2+]CC1(N(C)C)CCCC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589978783 1349090984 /nfs/dbraw/zinc/09/09/84/1349090984.db2.gz QDHDIAVHKKLFII-GFCCVEGCSA-N -1 3 330.436 2.097 20 10 EECDHM CC[C@H]([NH2+][C@@H](C)CN(CC)CC)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590462732 1349338396 /nfs/dbraw/zinc/33/83/96/1349338396.db2.gz RZEYOSDNLJYBJN-WFASDCNBSA-N -1 3 332.452 2.343 20 10 EECDHM CCN(CC)c1ccc(CNc2c(-c3nnn[n-]3)cnn2C)cc1F ZINC001590688621 1349389204 /nfs/dbraw/zinc/38/92/04/1349389204.db2.gz CWCXHKIXENMFBF-UHFFFAOYSA-N -1 3 344.398 2.198 20 10 EECDHM CCN(CC)c1ccc(CNc2c(-c3nn[n-]n3)cnn2C)cc1F ZINC001590688621 1349389211 /nfs/dbraw/zinc/38/92/11/1349389211.db2.gz CWCXHKIXENMFBF-UHFFFAOYSA-N -1 3 344.398 2.198 20 10 EECDHM COc1ccc(N2CCN(C(=O)Cc3ccc([O-])c(F)c3)CC2)cc1 ZINC000822197306 1368092172 /nfs/dbraw/zinc/09/21/72/1368092172.db2.gz VFWQAIRDBADGKY-UHFFFAOYSA-N -1 3 344.386 2.431 20 10 EECDHM O=C(c1ccco1)N1C[C@H]2C[C@@H](C1)N(Cc1c([O-])cccc1F)C2 ZINC001137835838 1372281812 /nfs/dbraw/zinc/28/18/12/1372281812.db2.gz PUHGSUVMGDOGDF-STQMWFEESA-N -1 3 330.359 2.471 20 10 EECDHM CCOC[C@@H]1CN(Cc2c([O-])cccc2Cl)Cc2nnn(C)c21 ZINC001140340224 1372565511 /nfs/dbraw/zinc/56/55/11/1372565511.db2.gz TVEDRSLGHMWRNM-NSHDSACASA-N -1 3 336.823 2.310 20 10 EECDHM Fc1ccccc1NC(=S)NNc1cccc(-c2nnn[n-]2)c1 ZINC001592661178 1404706555 /nfs/dbraw/zinc/70/65/55/1404706555.db2.gz BUMDJDRJFAVLMS-UHFFFAOYSA-N -1 3 329.364 2.319 20 10 EECDHM Fc1ccccc1NC(=S)NNc1cccc(-c2nn[n-]n2)c1 ZINC001592661178 1404706566 /nfs/dbraw/zinc/70/65/66/1404706566.db2.gz BUMDJDRJFAVLMS-UHFFFAOYSA-N -1 3 329.364 2.319 20 10 EECDHM [O-]c1c(I)cccc1CN1CCCC[C@H]1CO ZINC001237787524 782808774 /nfs/dbraw/zinc/80/87/74/782808774.db2.gz TVMXLHLKDLFBJN-NSHDSACASA-N -1 3 347.196 2.344 20 10 EECDHM COCCN1CCN(Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000893916775 780304453 /nfs/dbraw/zinc/30/44/53/780304453.db2.gz MGSHXIVXWVBIAR-UHFFFAOYSA-N -1 3 347.228 2.058 20 10 EECDHM CN(C)c1ccc([C@@H](CNC(=O)C2(C(=O)[O-])CCCC2)N(C)C)cc1 ZINC000908352806 785344017 /nfs/dbraw/zinc/34/40/17/785344017.db2.gz VWWNINIFGITFJA-MRXNPFEDSA-N -1 3 347.459 2.117 20 10 EECDHM CN(C(=O)c1cccc(O)c1[O-])[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001148218648 792252228 /nfs/dbraw/zinc/25/22/28/792252228.db2.gz JPOUWFSAXJITHF-IMRBUKKESA-N -1 3 348.399 2.035 20 10 EECDHM CC(C)CNC(=O)c1cccc(NC(=O)c2cc(O)c([O-])c(O)c2)c1 ZINC001148586392 792572827 /nfs/dbraw/zinc/57/28/27/792572827.db2.gz NBCOWHRHCFFTFV-UHFFFAOYSA-N -1 3 344.367 2.442 20 10 EECDHM COc1cccnc1[C@H](NC(=O)c1cc(O)c([O-])c(O)c1)C1CC1 ZINC001148590794 792576161 /nfs/dbraw/zinc/57/61/61/792576161.db2.gz QASNUSLVDPXKRS-CQSZACIVSA-N -1 3 330.340 2.088 20 10 EECDHM O=C(COC(=O)[C@@H]1CCCN1C1CCCC1)c1ccc([O-])c(O)c1 ZINC000786880173 806939510 /nfs/dbraw/zinc/93/95/10/806939510.db2.gz KRGLKDCXVXYMKU-AWEZNQCLSA-N -1 3 333.384 2.231 20 10 EECDHM CCOC(=O)[C@@H](CNC(=O)c1cccc(O)c1[O-])c1ccccc1 ZINC000790785939 808918239 /nfs/dbraw/zinc/91/82/39/808918239.db2.gz AQEAPCCBYUSOIQ-AWEZNQCLSA-N -1 3 329.352 2.175 20 10 EECDHM C[C@H]([NH2+]CCNC(=O)c1ccc(F)cc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593271711 994606683 /nfs/dbraw/zinc/60/66/83/994606683.db2.gz LSRFQZZQFGMLDJ-NSHDSACASA-N -1 3 346.358 2.310 20 10 EECDHM COc1ccc([C@@H](NCc2ccc(N(C)C)cc2)C(=O)[O-])cc1O ZINC001599533286 997698304 /nfs/dbraw/zinc/69/83/04/997698304.db2.gz YXHVHECKHABBEL-QGZVFWFLSA-N -1 3 330.384 2.382 20 10 EECDHM C[C@@H]1C[C@@H](C)CC[C@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000094136999 237050152 /nfs/dbraw/zinc/05/01/52/237050152.db2.gz MLIREASGBSTCCQ-MISXGVKJSA-N -1 3 340.445 2.318 20 10 EECDHM C[C@H](c1nccs1)N1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000193164939 237371857 /nfs/dbraw/zinc/37/18/57/237371857.db2.gz APASAGURCRYCPM-LLVKDONJSA-N -1 3 333.413 2.073 20 10 EECDHM CCOC(=O)C1([S@@](C)=O)CCN([C@@H](C)c2ccccc2[O-])CC1 ZINC000296564296 465224275 /nfs/dbraw/zinc/22/42/75/465224275.db2.gz SKPPLMNCGLSREO-ZAMGYDSWSA-N -1 3 339.457 2.229 20 10 EECDHM CC(=O)NC[C@@H]1CCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000155543511 462906641 /nfs/dbraw/zinc/90/66/41/462906641.db2.gz PPWJGPMKUCYYRA-NSHDSACASA-N -1 3 341.795 2.302 20 10 EECDHM O=C(Cc1cc[nH]n1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000134262048 463020688 /nfs/dbraw/zinc/02/06/88/463020688.db2.gz XSEMBDFFDSMCQN-OAHLLOKOSA-N -1 3 348.834 2.092 20 10 EECDHM CC(=O)c1cc(F)cc(CN2CCN(c3ccccn3)CC2)c1[O-] ZINC000126770888 463662171 /nfs/dbraw/zinc/66/21/71/463662171.db2.gz GKSDDKWRWLZNDG-UHFFFAOYSA-N -1 3 329.375 2.451 20 10 EECDHM Cc1ccc(C(=O)N2CCC[C@@H](CNC(=O)C(C)C)C2)c([O-])c1O ZINC000177679702 463764388 /nfs/dbraw/zinc/76/43/88/463764388.db2.gz VKPRLEVUAXLCAN-ZDUSSCGKSA-N -1 3 334.416 2.031 20 10 EECDHM CC1(C)CCC[C@@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000277161273 463892936 /nfs/dbraw/zinc/89/29/36/463892936.db2.gz SRFJFJOCNQIJDV-GFCCVEGCSA-N -1 3 340.445 2.462 20 10 EECDHM COc1c([O-])c(CN[C@@H]2CCCc3c2cnn3C)ccc1[N+](=O)[O-] ZINC000278900950 464006881 /nfs/dbraw/zinc/00/68/81/464006881.db2.gz RCKPKOPYKUOOTB-GFCCVEGCSA-N -1 3 332.360 2.210 20 10 EECDHM CCN(Cc1cnn(C)n1)Cc1cc(Br)ccc1[O-] ZINC000289720505 464093061 /nfs/dbraw/zinc/09/30/61/464093061.db2.gz GULNECAZDWOBRY-UHFFFAOYSA-N -1 3 325.210 2.305 20 10 EECDHM C[C@@H]1CN(c2ccc(NC(=O)c3cccc(O)c3[O-])cn2)C[C@H](C)O1 ZINC000280212758 464192486 /nfs/dbraw/zinc/19/24/86/464192486.db2.gz QFUHNNQIMUMQJB-TXEJJXNPSA-N -1 3 343.383 2.359 20 10 EECDHM Cc1cccc(CN2CCN(C(=O)c3cccc([O-])c3)CC2)c1O ZINC000180010891 464224017 /nfs/dbraw/zinc/22/40/17/464224017.db2.gz LYENKXPFOWXNMO-UHFFFAOYSA-N -1 3 326.396 2.364 20 10 EECDHM CCCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)c2cccc(O)c2[O-])C1 ZINC000188283892 464243951 /nfs/dbraw/zinc/24/39/51/464243951.db2.gz ZHDJXXZMISCUBN-OLZOCXBDSA-N -1 3 334.416 2.255 20 10 EECDHM CC(=O)NCC1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000271141934 464282344 /nfs/dbraw/zinc/28/23/44/464282344.db2.gz PJMZTWOMSFXPTO-UHFFFAOYSA-N -1 3 341.795 2.302 20 10 EECDHM CCCOc1ccc(CN2CCN(C)[C@@H](c3nc(C)no3)C2)c([O-])c1 ZINC000285462778 464573008 /nfs/dbraw/zinc/57/30/08/464573008.db2.gz KJFHCRHCLPGAKN-MRXNPFEDSA-N -1 3 346.431 2.361 20 10 EECDHM [O-]c1cc(OCc2ccccc2)ccc1CN1CCO[C@H](CO)C1 ZINC000273356904 464711916 /nfs/dbraw/zinc/71/19/16/464711916.db2.gz CUICSPRJFDILON-SFHVURJKSA-N -1 3 329.396 2.164 20 10 EECDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@@H]2c3ccccc3C[C@H]2O)c1 ZINC000273614678 464722495 /nfs/dbraw/zinc/72/24/95/464722495.db2.gz WZRKJBNWCZVTAE-UZCIPKQKSA-N -1 3 327.380 2.488 20 10 EECDHM Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000275738890 464786955 /nfs/dbraw/zinc/78/69/55/464786955.db2.gz TUOGDTNYEGSJRZ-GUYCJALGSA-N -1 3 345.399 2.017 20 10 EECDHM COc1cc(Cl)cc(CN2CCOC3(CCOCC3)C2)c1[O-] ZINC000184702250 465019995 /nfs/dbraw/zinc/01/99/95/465019995.db2.gz YLOKGFWKFOKGOO-UHFFFAOYSA-N -1 3 327.808 2.436 20 10 EECDHM Cc1ccc(C2=NO[C@H](CNC(=O)c3cccc(O)c3[O-])C2)cc1 ZINC000374477835 467056944 /nfs/dbraw/zinc/05/69/44/467056944.db2.gz HIKAWVPSNCJJEC-ZDUSSCGKSA-N -1 3 326.352 2.329 20 10 EECDHM COc1cc(Cl)cc(CN2CC[C@H](C)S(=O)(=O)CC2)c1[O-] ZINC000192050177 533952510 /nfs/dbraw/zinc/95/25/10/533952510.db2.gz LOYXSNDZVCLJHE-JTQLQIEISA-N -1 3 333.837 2.063 20 10 EECDHM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc(O)cc3)cc2C[C@@H]1C ZINC000192583242 526686635 /nfs/dbraw/zinc/68/66/35/526686635.db2.gz GKJZIXHAPUKUBQ-NSHDSACASA-N -1 3 346.408 2.491 20 10 EECDHM CC(C)[C@@H](C)N(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1CC1 ZINC000094055516 528400350 /nfs/dbraw/zinc/40/03/50/528400350.db2.gz WWPXMYIQFJXDCQ-LLVKDONJSA-N -1 3 340.445 2.413 20 10 EECDHM CCCOc1ccc(CN2CCN(Cc3noc(C)n3)CC2)c([O-])c1 ZINC000093274309 528661913 /nfs/dbraw/zinc/66/19/13/528661913.db2.gz HDEDXPSAWXBDAW-UHFFFAOYSA-N -1 3 346.431 2.190 20 10 EECDHM O=C(Nc1ccccn1)[C@@H]1CCCN(C(=O)c2cc([O-])cs2)C1 ZINC000732275233 577163270 /nfs/dbraw/zinc/16/32/70/577163270.db2.gz ZXUMAELRBKVLRC-LLVKDONJSA-N -1 3 331.397 2.340 20 10 EECDHM C[C@H](CCC1CC1)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769645428 577581759 /nfs/dbraw/zinc/58/17/59/577581759.db2.gz MKIARMRBHNRAKL-SNVBAGLBSA-N -1 3 326.418 2.072 20 10 EECDHM COC1(CN2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)CCC1 ZINC000762323437 577699192 /nfs/dbraw/zinc/69/91/92/577699192.db2.gz YVDQJQVSHWQIDO-UHFFFAOYSA-N -1 3 338.791 2.379 20 10 EECDHM C[C@H](N[C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)c1ccc(F)cc1[O-] ZINC000756837040 577850869 /nfs/dbraw/zinc/85/08/69/577850869.db2.gz FIXAAHPLQOAOQX-ZETOZRRWSA-N -1 3 332.379 2.109 20 10 EECDHM COc1cccc(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1O ZINC000737132660 578240035 /nfs/dbraw/zinc/24/00/35/578240035.db2.gz PMFHHBKXEHBWLY-UHFFFAOYSA-N -1 3 342.315 2.101 20 10 EECDHM COc1cccc(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1O ZINC000737132660 578240036 /nfs/dbraw/zinc/24/00/36/578240036.db2.gz PMFHHBKXEHBWLY-UHFFFAOYSA-N -1 3 342.315 2.101 20 10 EECDHM CN(C)c1ccc(CNC(=O)c2cc(-c3nnn[n-]3)cs2)cc1F ZINC000821589461 606500072 /nfs/dbraw/zinc/50/00/72/606500072.db2.gz ODKLOXQLHIPHIT-UHFFFAOYSA-N -1 3 346.391 2.063 20 10 EECDHM CN(C)c1ccc(CNC(=O)c2cc(-c3nn[n-]n3)cs2)cc1F ZINC000821589461 606500073 /nfs/dbraw/zinc/50/00/73/606500073.db2.gz ODKLOXQLHIPHIT-UHFFFAOYSA-N -1 3 346.391 2.063 20 10 EECDHM CCCCNC(=O)[C@H]1CC12CCN(C(=O)c1cccc(O)c1[O-])CC2 ZINC001269685997 1184511465 /nfs/dbraw/zinc/51/14/65/1184511465.db2.gz IXGGRJGHOHZXBY-CQSZACIVSA-N -1 3 346.427 2.256 20 10 EECDHM CC(=O)[C@H](C)N1CC[C@]2(CCCN2Cc2c([O-])cccc2F)C1=O ZINC001273266460 1197890954 /nfs/dbraw/zinc/89/09/54/1197890954.db2.gz YTWKMIWMVLFGDP-KPZWWZAWSA-N -1 3 334.391 2.076 20 10 EECDHM CC(C)O[C@]1(CS(=O)(=O)Nc2ccc([O-])c(Cl)c2)CCOC1 ZINC000872361941 1198156769 /nfs/dbraw/zinc/15/67/69/1198156769.db2.gz WYTOLPNVUFUOCC-CQSZACIVSA-N -1 3 349.836 2.371 20 10 EECDHM CN1C[C@@]2(F)CN(Cc3ccc4ccccc4c3[O-])C[C@@]2(F)C1=O ZINC001274226301 1204481827 /nfs/dbraw/zinc/48/18/27/1204481827.db2.gz VEZJLLMQUBVFFT-QZTJIDSGSA-N -1 3 332.350 2.250 20 10 EECDHM O=C(NCC(F)(F)F)N1C[C@H]2C[C@@H](C1)N2Cc1cc(F)ccc1[O-] ZINC001275913147 1205583079 /nfs/dbraw/zinc/58/30/79/1205583079.db2.gz JEXMZPTZIQDUQZ-TXEJJXNPSA-N -1 3 347.312 2.062 20 10 EECDHM CCOC(=O)[C@@H]1COCCN1Cc1c([O-])ccc2ccc(OC)cc21 ZINC001234569697 1304972916 /nfs/dbraw/zinc/97/29/16/1304972916.db2.gz QXPKVTZHFGLMRB-KRWDZBQOSA-N -1 3 345.395 2.318 20 10 EECDHM CC(=O)c1cc(F)cc(CN2CCC(N3CCOC3=O)CC2)c1[O-] ZINC000852723567 1292175973 /nfs/dbraw/zinc/17/59/73/1292175973.db2.gz WGONLZURWMWJMI-UHFFFAOYSA-N -1 3 336.363 2.151 20 10 EECDHM O=C1CN(Cc2c([O-])cccc2Br)[C@@H]2CCCC[C@@H]2N1 ZINC000862237370 1295764423 /nfs/dbraw/zinc/76/44/23/1295764423.db2.gz ZNDATTUCHOWJFH-QWHCGFSZSA-N -1 3 339.233 2.398 20 10 EECDHM N[C@@H](C(=O)NCc1cc(Cl)c2cccnc2c1[O-])C(F)(F)F ZINC001220212752 1298304712 /nfs/dbraw/zinc/30/47/12/1298304712.db2.gz VCCCPIACJBYGQN-NSHDSACASA-N -1 3 333.697 2.100 20 10 EECDHM O=C([O-])c1ccc(C[N@H+]2CCCC[C@](O)(C(F)(F)F)C2)c([O-])c1 ZINC001231445940 1303798432 /nfs/dbraw/zinc/79/84/32/1303798432.db2.gz CUDTYRROVYXFHF-CQSZACIVSA-N -1 3 333.306 2.370 20 10 EECDHM O=C([O-])c1ccc(C[N@@H+]2CCCC[C@](O)(C(F)(F)F)C2)c([O-])c1 ZINC001231445940 1303798444 /nfs/dbraw/zinc/79/84/44/1303798444.db2.gz CUDTYRROVYXFHF-CQSZACIVSA-N -1 3 333.306 2.370 20 10 EECDHM CC(C)(C)OC(=O)N1C[C@H]2CN(Cc3cc(C(=O)[O-])ccc3O)C[C@H]21 ZINC001231565940 1303849216 /nfs/dbraw/zinc/84/92/16/1303849216.db2.gz FBYOUMJDZDYRRX-ZIAGYGMSSA-N -1 3 348.399 2.142 20 10 EECDHM COc1cc([O-])c(CN2C[C@@H](OC)[C@@H](F)C2)cc1Br ZINC001233135379 1304372533 /nfs/dbraw/zinc/37/25/33/1304372533.db2.gz RNCDQUSCKSVDAT-GXFFZTMASA-N -1 3 334.185 2.332 20 10 EECDHM O=C(c1ccco1)N1C[C@H]2CN(Cc3c([O-])ccc(F)c3F)C[C@@H]2C1 ZINC001233333914 1304434503 /nfs/dbraw/zinc/43/45/03/1304434503.db2.gz MFMGMUQVQVRBJR-VXGBXAGGSA-N -1 3 348.349 2.467 20 10 EECDHM CC(=O)[C@H](C)Oc1cc([O-])cc2oc3cc(O)c(O)cc3c(=O)c12 ZINC001234748868 1305019085 /nfs/dbraw/zinc/01/90/85/1305019085.db2.gz MSCVBPCFMQAWQQ-QMMMGPOBSA-N -1 3 330.292 2.419 20 10 EECDHM COCCCN1CCN(Cc2ccc(OC)c(Cl)c2[O-])CC1 ZINC001236811568 1305685264 /nfs/dbraw/zinc/68/52/64/1305685264.db2.gz LTDVCWUFLVANOU-UHFFFAOYSA-N -1 3 328.840 2.208 20 10 EECDHM C[C@@H]1C[C@@H](O)CCN1Cc1cccc(I)c1[O-] ZINC001237779476 1306086435 /nfs/dbraw/zinc/08/64/35/1306086435.db2.gz HBYJMYVSQOQDOT-KOLCDFICSA-N -1 3 347.196 2.342 20 10 EECDHM CC(C)(C)NC(=O)c1[nH]nc2c1CN(Cc1cc(F)ccc1[O-])CC2 ZINC001278255385 1308920828 /nfs/dbraw/zinc/92/08/28/1308920828.db2.gz SHISOUKAYAKCDB-UHFFFAOYSA-N -1 3 346.406 2.341 20 10 EECDHM COc1ccc([C@H]2COCCN2C(=O)c2cccc(O)c2[O-])cc1 ZINC000830286070 1314530781 /nfs/dbraw/zinc/53/07/81/1314530781.db2.gz HAQWUJDIXFEJLL-OAHLLOKOSA-N -1 3 329.352 2.320 20 10 EECDHM Cc1cc(NCc2ccc(N(C)C)c(F)c2)ncc1-c1nnn[n-]1 ZINC001605739287 1351220414 /nfs/dbraw/zinc/22/04/14/1351220414.db2.gz CXQSKRWXTIJXBX-UHFFFAOYSA-N -1 3 327.367 2.387 20 10 EECDHM Cc1cc(NCc2ccc(N(C)C)c(F)c2)ncc1-c1nn[n-]n1 ZINC001605739287 1351220418 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COc1cccc(CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])c1O ZINC001609362131 1351947701 /nfs/dbraw/zinc/94/77/01/1351947701.db2.gz VLCBYGWTIAUUAD-UHFFFAOYSA-N -1 3 342.315 2.101 20 10 EECDHM COc1cccc(CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])c1O ZINC001609362131 1351947705 /nfs/dbraw/zinc/94/77/05/1351947705.db2.gz VLCBYGWTIAUUAD-UHFFFAOYSA-N -1 3 342.315 2.101 20 10 EECDHM C[C@H]([NH2+][C@@H](C)[C@H](O)c1ccccc1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589950548 1349075145 /nfs/dbraw/zinc/07/51/45/1349075145.db2.gz UDDVBRKYDPMJBW-MKBNYLNASA-N -1 3 339.399 2.345 20 10 EECDHM CCC(CC)[C@H](O)C[NH2+][C@H](CC)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590462892 1349338256 /nfs/dbraw/zinc/33/82/56/1349338256.db2.gz GMEFPCSPXJNGOS-HUUCEWRRSA-N -1 3 333.436 2.410 20 10 EECDHM CC[C@H]([NH2+]CCC[C@@H]1CCOC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590465685 1349341093 /nfs/dbraw/zinc/34/10/93/1349341093.db2.gz ICKSYQXIQXUFML-DOMZBBRYSA-N -1 3 331.420 2.430 20 10 EECDHM CCc1cnc(CC[NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2[O-])s1 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COC[C@H](C(C)C)N1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000761401161 577683239 /nfs/dbraw/zinc/68/32/39/577683239.db2.gz OWPURNOEGSFKEZ-CYBMUJFWSA-N -1 3 340.807 2.481 20 10 EECDHM CCc1ncc(S(=O)(=O)[N-]Cc2ccc(N(C)C)cc2)s1 ZINC000763575046 577722900 /nfs/dbraw/zinc/72/29/00/577722900.db2.gz PMZJTDMJRMTTHT-UHFFFAOYSA-N -1 3 325.459 2.250 20 10 EECDHM O=C([O-])[C@@H](CNCc1ccc2c(c1)CCO2)Oc1ccc(F)cc1 ZINC000756312491 577841944 /nfs/dbraw/zinc/84/19/44/577841944.db2.gz QOZPAHZBBYDAJO-QGZVFWFLSA-N -1 3 331.343 2.382 20 10 EECDHM CN1CCN(c2ccc(CN[C@@H](C(=O)[O-])c3ccccc3)cc2)CC1 ZINC000756333658 577842253 /nfs/dbraw/zinc/84/22/53/577842253.db2.gz SEPVUTSEYQMVBV-LJQANCHMSA-N -1 3 339.439 2.354 20 10 EECDHM C[C@@H](N[C@H](C)c1cc(Br)cc(F)c1[O-])C(=O)N(C)C ZINC000756739968 577849631 /nfs/dbraw/zinc/84/96/31/577849631.db2.gz UTHWVUCLIMXAAD-HTQZYQBOSA-N -1 3 333.201 2.421 20 10 EECDHM COc1cc(O)c(CN(C)c2ccc(-c3nn[n-]n3)cc2)cc1OC ZINC000826180894 608546597 /nfs/dbraw/zinc/54/65/97/608546597.db2.gz BPNKAMCONZRWQK-UHFFFAOYSA-N -1 3 341.371 2.226 20 10 EECDHM COC[C@]1(CO)CCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000894929966 683412424 /nfs/dbraw/zinc/41/24/24/683412424.db2.gz QXPICTYVNUAJFC-CQSZACIVSA-N -1 3 348.212 2.125 20 10 EECDHM Cc1cc(=O)oc2c1ccc([O-])c2CN1CCC[C@@]12CCN(C)C2=O ZINC001273003888 1194310340 /nfs/dbraw/zinc/31/03/40/1194310340.db2.gz CGOMYJSNJOZOPQ-IBGZPJMESA-N -1 3 342.395 2.004 20 10 EECDHM CC[C@@H](C)NC(=O)CN1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000129098049 1201722186 /nfs/dbraw/zinc/72/21/86/1201722186.db2.gz UIXQCECVCIYPJI-CYBMUJFWSA-N -1 3 339.867 2.078 20 10 EECDHM [O-]c1cc(Cl)ccc1CN1CC2(CCN2CCn2ccnc2)C1 ZINC001275271511 1205295308 /nfs/dbraw/zinc/29/53/08/1205295308.db2.gz NDCVETXUUBIGSQ-UHFFFAOYSA-N -1 3 332.835 2.202 20 10 EECDHM O=S(=O)([N-]Cc1ccc(O)cc1O)c1cnc(Cl)c(Cl)c1 ZINC001188084730 1279760563 /nfs/dbraw/zinc/76/05/63/1279760563.db2.gz POATUKIHWAOKHB-UHFFFAOYSA-N -1 3 349.195 2.278 20 10 EECDHM CN(C)C(=O)c1n[nH]c2c1CCN(Cc1cc(Cl)ccc1[O-])C2 ZINC001277458102 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Fc1cccc(NC(=S)NNc2cccc(-c3nnn[n-]3)c2)c1F ZINC001592660036 1349703053 /nfs/dbraw/zinc/70/30/53/1349703053.db2.gz SKVYKYSFZMERTG-UHFFFAOYSA-N -1 3 347.354 2.458 20 10 EECDHM Fc1cccc(NC(=S)NNc2cccc(-c3nn[n-]n3)c2)c1F ZINC001592660036 1349703056 /nfs/dbraw/zinc/70/30/56/1349703056.db2.gz SKVYKYSFZMERTG-UHFFFAOYSA-N -1 3 347.354 2.458 20 10 EECDHM Cc1cc(CN(C)Cc2ccc(N3CCOCC3)cc2)[nH]c1C(=O)[O-] ZINC001600190098 1349988777 /nfs/dbraw/zinc/98/87/77/1349988777.db2.gz ANNWNICOOMZXTA-UHFFFAOYSA-N -1 3 343.427 2.490 20 10 EECDHM CC[C@H]([NH2+]C[C@]1(OC)CCSC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604053744 1350841056 /nfs/dbraw/zinc/84/10/56/1350841056.db2.gz DSPWLOOPCLZQRF-XJKSGUPXSA-N -1 3 349.460 2.135 20 10 EECDHM CC[C@H]([NH2+]CC1CCC(O)CC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604056832 1350842600 /nfs/dbraw/zinc/84/26/00/1350842600.db2.gz WTORJFYHIMZJCT-QOZQQMKHSA-N -1 3 331.420 2.164 20 10 EECDHM CN(C)c1ccc2c(c1)OCCN2Cc1ccc(-c2nnn[n-]2)s1 ZINC001604702017 1350988225 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CC(=O)N(C)CCC(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001180229105 800318138 /nfs/dbraw/zinc/31/81/38/800318138.db2.gz FFZIAXOHJQUFIB-UHFFFAOYSA-N -1 3 335.791 2.078 20 10 EECDHM Cc1ccc(CNC(=O)c2cccc(O)c2[O-])c(N2CCCC2)n1 ZINC000790927470 808980967 /nfs/dbraw/zinc/98/09/67/808980967.db2.gz HYNJQKAFVIWNGF-UHFFFAOYSA-N -1 3 327.384 2.331 20 10 EECDHM Cc1ccc(C[N@H+]2C[C@H](C(=O)[O-])C[C@@H](c3cnn(C)c3)C2)c([O-])c1 ZINC001605273252 973057655 /nfs/dbraw/zinc/05/76/55/973057655.db2.gz RTOXHKJIAKHXSC-HUUCEWRRSA-N -1 3 329.400 2.124 20 10 EECDHM Cc1ccc(C[N@@H+]2C[C@H](C(=O)[O-])C[C@@H](c3cnn(C)c3)C2)c([O-])c1 ZINC001605273252 973057666 /nfs/dbraw/zinc/05/76/66/973057666.db2.gz RTOXHKJIAKHXSC-HUUCEWRRSA-N -1 3 329.400 2.124 20 10 EECDHM CCCOc1ccc(CN(C2CC2)[C@@H]2CCS(=O)(=O)C2)c([O-])c1 ZINC000157071046 463094639 /nfs/dbraw/zinc/09/46/39/463094639.db2.gz CQIRZYGFWGTUOZ-OAHLLOKOSA-N -1 3 339.457 2.333 20 10 EECDHM CC(=O)c1cc(F)cc(CN2CCS[C@@H]3COCC[C@@H]32)c1[O-] ZINC000135556732 463173981 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COC[C@@H](NCc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H]1CCCO1 ZINC000278767577 463984839 /nfs/dbraw/zinc/98/48/39/463984839.db2.gz XXXINKFMGVBXEI-YPMHNXCESA-N -1 3 330.768 2.237 20 10 EECDHM COc1ccc(CNCc2ccc([N+](=O)[O-])c(OC)c2[O-])c(OC)n1 ZINC000290831276 464133247 /nfs/dbraw/zinc/13/32/47/464133247.db2.gz HRQLXHHXJHHYEM-UHFFFAOYSA-N -1 3 349.343 2.011 20 10 EECDHM Cc1cc(Br)cc(CN2CC(=O)N(C3CC3)C2)c1[O-] ZINC000280379407 464200007 /nfs/dbraw/zinc/20/00/07/464200007.db2.gz FGTJGTULYKLIOW-UHFFFAOYSA-N -1 3 325.206 2.227 20 10 EECDHM CCC[C@@H](OC)C(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1[O-] ZINC000294991468 464672833 /nfs/dbraw/zinc/67/28/33/464672833.db2.gz QJJOXJLQTYOKPF-CQSZACIVSA-N -1 3 343.807 2.362 20 10 EECDHM CC(=O)c1cc(F)cc(CN2CCC[C@@H](OC(=O)N(C)C)C2)c1[O-] ZINC000295770880 464958323 /nfs/dbraw/zinc/95/83/23/464958323.db2.gz YMPCINMIVYTPKK-CQSZACIVSA-N -1 3 338.379 2.397 20 10 EECDHM COc1ccccc1CNC(=O)[C@@H](C)OC(=O)c1cc([O-])cs1 ZINC000731909631 577132755 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CC[C@@H]1C[C@@H](C)CN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769932592 577587353 /nfs/dbraw/zinc/58/73/53/577587353.db2.gz YJNGMRHKFBCUKR-ZYHUDNBSSA-N -1 3 326.418 2.024 20 10 EECDHM C[C@H](N[C@@H]1CC(=O)N(C)C1)c1cc(Br)c(F)cc1[O-] ZINC000756529326 577845894 /nfs/dbraw/zinc/84/58/94/577845894.db2.gz XUWSUHLJZFBFKP-JGVFFNPUSA-N -1 3 331.185 2.175 20 10 EECDHM CCN1CCN(Cc2cc(Br)cc(C)c2[O-])CC1=O ZINC000758015185 577868263 /nfs/dbraw/zinc/86/82/63/577868263.db2.gz MGDSIINVFUEEIE-UHFFFAOYSA-N -1 3 327.222 2.127 20 10 EECDHM CS(=O)(=O)CCc1ccc(NC(=O)c2cc([O-])cs2)cc1 ZINC000747616430 577946992 /nfs/dbraw/zinc/94/69/92/577946992.db2.gz JJHZRERWUSCYHZ-UHFFFAOYSA-N -1 3 325.411 2.293 20 10 EECDHM CC(=O)c1cc(Cl)cc(CN2CCN(CCCCO)CC2)c1[O-] ZINC000750053007 577986361 /nfs/dbraw/zinc/98/63/61/577986361.db2.gz DRBKITRVYCKBSZ-UHFFFAOYSA-N -1 3 340.851 2.138 20 10 EECDHM O=C1Cc2cnc(NCc3cc(Cl)c4cccnc4c3[O-])nc2N1 ZINC001168527916 1192898783 /nfs/dbraw/zinc/89/87/83/1192898783.db2.gz 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O=C1c2ccc(O[C@@H]3CCNC[C@@H]3F)cc2C(=O)c2ccc([O-])cc21 ZINC001218064667 1297561204 /nfs/dbraw/zinc/56/12/04/1297561204.db2.gz AJSRINHAPCRSBW-DLBZAZTESA-N -1 3 341.338 2.246 20 10 EECDHM O=C([O-])c1ccc(C[NH+]2CCC(NC(=O)C3CCCC3)CC2)c([O-])c1 ZINC001231452872 1303802354 /nfs/dbraw/zinc/80/23/54/1303802354.db2.gz VVAVOGBXNUSJFR-UHFFFAOYSA-N -1 3 346.427 2.361 20 10 EECDHM O=C([O-])c1ccc(CN2CCN(c3cccc(O)c3)CC2)c(O)c1 ZINC001231455168 1303802981 /nfs/dbraw/zinc/80/29/81/1303802981.db2.gz XIOIQAMITUKIAO-UHFFFAOYSA-N -1 3 328.368 2.118 20 10 EECDHM CC[C@@H]1[N@H+](Cc2cc(C(=O)[O-])ccc2[O-])CCC[C@]12CCC(=O)N2 ZINC001231563725 1303847959 /nfs/dbraw/zinc/84/79/59/1303847959.db2.gz MUAGHIAOHOBRCU-YJBOKZPZSA-N -1 3 332.400 2.114 20 10 EECDHM CC[C@@H]1[N@@H+](Cc2cc(C(=O)[O-])ccc2[O-])CCC[C@]12CCC(=O)N2 ZINC001231563725 1303847968 /nfs/dbraw/zinc/84/79/68/1303847968.db2.gz MUAGHIAOHOBRCU-YJBOKZPZSA-N -1 3 332.400 2.114 20 10 EECDHM Cc1cc([O-])c(CN2CC3(C2)[C@H](CF)CCS3(=O)=O)cc1Cl ZINC001231870061 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EECDHM Cc1nc[n-]c(=O)c1CCC(=O)NCc1c(O)ccc2c1CCCC2 ZINC001322159622 1333219509 /nfs/dbraw/zinc/21/95/09/1333219509.db2.gz YSBGOSSKWWXTCV-UHFFFAOYSA-N -1 3 341.411 2.324 20 10 EECDHM Cc1nnc(CN[C@H](C)c2cc(Br)ccc2[O-])n1C ZINC001325339111 1333867361 /nfs/dbraw/zinc/86/73/61/1333867361.db2.gz GKVSOIZXEDDQPG-MRVPVSSYSA-N -1 3 325.210 2.442 20 10 EECDHM C[C@@H]([NH2+][C@H]1CCN(c2ccccn2)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609779672 1352083713 /nfs/dbraw/zinc/08/37/13/1352083713.db2.gz QQRVTGFBBRSKSV-OCCSQVGLSA-N -1 3 327.384 2.415 20 10 EECDHM C[C@H](NCCS(=O)(=O)c1ccccc1)c1cc(C(=O)[O-])ccc1O ZINC001609779238 1352083744 /nfs/dbraw/zinc/08/37/44/1352083744.db2.gz LMMAYUNIAOSOHM-LBPRGKRZSA-N -1 3 349.408 2.215 20 10 EECDHM C[C@H]([NH2+]CCCN1C[C@@H](C)O[C@H](C)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609872274 1352107977 /nfs/dbraw/zinc/10/79/77/1352107977.db2.gz ABRFEVYPNZZQKH-MCIONIFRSA-N -1 3 336.432 2.240 20 10 EECDHM Cc1cncc(C=CC(=O)N2CCc3cc(-c4nnn[n-]4)ccc32)c1 ZINC001581325981 1344617374 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EECDHM NC(=O)Cc1ccc(NCc2cc(Cl)c3cccnc3c2[O-])nn1 ZINC001168527044 1192580920 /nfs/dbraw/zinc/58/09/20/1192580920.db2.gz BWPYCHNHJPFARF-UHFFFAOYSA-N -1 3 343.774 2.024 20 10 EECDHM CN(C)C(=O)[C@@H]1CCC2(C1)CCN(C(=O)c1cccc(O)c1[O-])CC2 ZINC001269561873 1184391732 /nfs/dbraw/zinc/39/17/32/1184391732.db2.gz XPBWDSFIUXDHOW-CYBMUJFWSA-N -1 3 346.427 2.209 20 10 EECDHM CC(=O)[C@@H](C)NC(=O)[C@@H]1CC12CCN(Cc1c([O-])cccc1F)CC2 ZINC001273265785 1197889408 /nfs/dbraw/zinc/88/94/08/1197889408.db2.gz KROKXJVTGPXXRQ-DOMZBBRYSA-N -1 3 348.418 2.227 20 10 EECDHM Cc1cc(CN2CC3(C2)CN(Cc2c([O-])cccc2Cl)C3)n(C)n1 ZINC001275216829 1205283275 /nfs/dbraw/zinc/28/32/75/1205283275.db2.gz DPWLFPFIBDNLBO-UHFFFAOYSA-N -1 3 346.862 2.405 20 10 EECDHM C[C@H](c1ccco1)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000093939831 1214978758 /nfs/dbraw/zinc/97/87/58/1214978758.db2.gz DXKXNTKDLQGAHU-SNVBAGLBSA-N -1 3 338.385 2.190 20 10 EECDHM COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000803652444 1241145744 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CC[C@@H]([NH2+]CC1(O)CCCCC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590466949 1349341618 /nfs/dbraw/zinc/34/16/18/1349341618.db2.gz MTIQVEKDIAPQDF-CQSZACIVSA-N -1 3 331.420 2.308 20 10 EECDHM CC[C@@H]([NH2+]C[C@H]1CCN1C(C)(C)C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590466697 1349341685 /nfs/dbraw/zinc/34/16/85/1349341685.db2.gz MABPXDWBVZEMBV-IUODEOHRSA-N -1 3 344.463 2.486 20 10 EECDHM Cc1ncccc1C=CC(=O)N1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001592425801 1349630084 /nfs/dbraw/zinc/63/00/84/1349630084.db2.gz ONNPRVQGOFZRSZ-ALCCZGGFSA-N -1 3 332.367 2.173 20 10 EECDHM Cc1ncccc1C=CC(=O)N1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001592425801 1349630089 /nfs/dbraw/zinc/63/00/89/1349630089.db2.gz ONNPRVQGOFZRSZ-ALCCZGGFSA-N -1 3 332.367 2.173 20 10 EECDHM C[C@H]([NH2+]CCN1CCCC[C@@H]1C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603662714 1350736976 /nfs/dbraw/zinc/73/69/76/1350736976.db2.gz NXBJBHLRIYCGIC-STQMWFEESA-N -1 3 330.436 2.097 20 10 EECDHM C[C@@H]1[C@H](C)S(=O)(=O)CCN1Cc1c([O-])cccc1Br ZINC000862248494 1369526806 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CC(C)(C)OC(=O)N1C[C@H]2[C@@H]1CCCN2C(=O)c1cccc(O)c1[O-] ZINC001148212018 792245227 /nfs/dbraw/zinc/24/52/27/792245227.db2.gz IBVISUVABGYNQK-STQMWFEESA-N -1 3 348.399 2.322 20 10 EECDHM O=C(c1cccc(O)c1[O-])N1CCN(c2nccc3occc32)CC1 ZINC001148213510 792246600 /nfs/dbraw/zinc/24/66/00/792246600.db2.gz DWEFDBBEGIIYAI-UHFFFAOYSA-N -1 3 339.351 2.201 20 10 EECDHM CC(C)(C)c1nc2ccc(NC(=O)c3cc(O)c([O-])c(O)c3)cn2n1 ZINC001148582879 792568510 /nfs/dbraw/zinc/56/85/10/792568510.db2.gz OWGPXPZTJASCPE-UHFFFAOYSA-N -1 3 342.355 2.396 20 10 EECDHM NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1cccc(Br)c1[O-] ZINC000787423333 807109886 /nfs/dbraw/zinc/10/98/86/807109886.db2.gz KBTHXNROJJUHIZ-GAFUQQFSSA-N -1 3 339.233 2.241 20 10 EECDHM CO[C@H](C)C(=O)Nc1cccc(NC(=O)c2cccc(O)c2[O-])c1 ZINC000790573204 808809841 /nfs/dbraw/zinc/80/98/41/808809841.db2.gz WMEBMFJNXNZXDV-SNVBAGLBSA-N -1 3 330.340 2.324 20 10 EECDHM CC(C)(C)OC(=O)NC1(CNC(=O)c2cccc(O)c2[O-])CCC1 ZINC000790927584 808981049 /nfs/dbraw/zinc/98/10/49/808981049.db2.gz KDWPTRVLYFJFDR-UHFFFAOYSA-N -1 3 336.388 2.275 20 10 EECDHM COc1cc[n-]c(=NNC(=S)Nc2cc(Cl)ccc2OC)n1 ZINC000792678115 809954041 /nfs/dbraw/zinc/95/40/41/809954041.db2.gz WCQCSZADYNCFOC-UHFFFAOYSA-N -1 3 339.808 2.461 20 10 EECDHM C[C@H]([NH2+]C[C@H](O)COc1ccc(F)cc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593246251 994448954 /nfs/dbraw/zinc/44/89/54/994448954.db2.gz JDKRRVQMLSFOME-FZMZJTMJSA-N -1 3 349.358 2.320 20 10 EECDHM C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001593352516 994966484 /nfs/dbraw/zinc/96/64/84/994966484.db2.gz CJCSSMPXEKVYER-QWHCGFSZSA-N -1 3 342.395 2.446 20 10 EECDHM C[C@@H]([NH2+]C[C@@H]1CC[C@@]2(CO[C@H](C)C2)O1)c1cc(C(=O)[O-])ccc1[O-] ZINC001594285353 999105620 /nfs/dbraw/zinc/10/56/20/999105620.db2.gz RMXFKNHQWQYIDR-LSIMKLPESA-N -1 3 335.400 2.468 20 10 EECDHM C[C@@H]1CCCC[C@@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000093901596 237052795 /nfs/dbraw/zinc/05/27/95/237052795.db2.gz TUGQBERBWNSAFX-MFKMUULPSA-N 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/nfs/dbraw/zinc/91/57/32/463915732.db2.gz RRMMVYVWXKFEQI-UHFFFAOYSA-N -1 3 338.791 2.236 20 10 EECDHM CC[C@@H]1[C@H](C)CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000187430618 464129558 /nfs/dbraw/zinc/12/95/58/464129558.db2.gz DPDZZLHTOBKNBS-ZWNOBZJWSA-N -1 3 326.418 2.024 20 10 EECDHM C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1cc(F)ccc1[O-] ZINC000180000282 464222017 /nfs/dbraw/zinc/22/20/17/464222017.db2.gz VZAOZQDMDPVLPJ-LLVKDONJSA-N -1 3 338.404 2.372 20 10 EECDHM C[C@@H]1[C@@H](C)[S@](=O)CCN1Cc1cc(Br)ccc1[O-] ZINC000271161527 464286289 /nfs/dbraw/zinc/28/62/89/464286289.db2.gz AVPNZWZAVNXPMP-CLFVBBPSSA-N -1 3 332.263 2.496 20 10 EECDHM NC(=O)c1ccc(N2CCN(Cc3c([O-])cccc3Cl)CC2)cc1 ZINC000271189313 464287610 /nfs/dbraw/zinc/28/76/10/464287610.db2.gz KZPMXGQYAQDGMA-UHFFFAOYSA-N -1 3 345.830 2.467 20 10 EECDHM COC(=O)CCN(Cc1ccncc1)C(=O)c1ccc(C)c(O)c1[O-] ZINC000272710665 464686145 /nfs/dbraw/zinc/68/61/45/464686145.db2.gz DRSIFGBICIJFAG-UHFFFAOYSA-N -1 3 344.367 2.007 20 10 EECDHM Cc1ccc(C(=O)N2CCN(C3=NCC(C)(C)S3)CC2)c([O-])c1O ZINC000272704700 464686464 /nfs/dbraw/zinc/68/64/64/464686464.db2.gz BXSPIXQSCBUJQX-UHFFFAOYSA-N -1 3 349.456 2.045 20 10 EECDHM COC(=O)C[C@@](C)(NC(=O)c1ccc(C)c(O)c1[O-])c1ccncc1 ZINC000274973638 464760584 /nfs/dbraw/zinc/76/05/84/464760584.db2.gz AQDIYEGMJPWBPF-GOSISDBHSA-N -1 3 344.367 2.010 20 10 EECDHM COc1ccccc1CN(C)C(=O)CN(C)Cc1ccccc1[O-] ZINC000109771217 534051909 /nfs/dbraw/zinc/05/19/09/534051909.db2.gz NVGQXMFQKLDKFX-UHFFFAOYSA-N -1 3 328.412 2.491 20 10 EECDHM O=C(N[C@H](CN1CCOCC1)c1ccccc1)c1cc([O-])cs1 ZINC000732267260 577161769 /nfs/dbraw/zinc/16/17/69/577161769.db2.gz VQGSIOIHOBRCBK-OAHLLOKOSA-N -1 3 332.425 2.257 20 10 EECDHM O=C(Nc1ccc(CN2C(=O)CCC2=O)cc1)c1cc([O-])cs1 ZINC000732267878 577162464 /nfs/dbraw/zinc/16/24/64/577162464.db2.gz AFSDTSVYKGEMOX-UHFFFAOYSA-N -1 3 330.365 2.355 20 10 EECDHM CC(C)N(CC(F)(F)F)C(=O)COC(=O)c1cc([O-])cs1 ZINC000732352629 577174509 /nfs/dbraw/zinc/17/45/09/577174509.db2.gz AMYIIDCWDVDHQK-UHFFFAOYSA-N -1 3 325.308 2.410 20 10 EECDHM CN1CCN(c2ccc(/C=C3\C(=O)[N-]C(=O)c4ccccc43)cc2)CC1 ZINC000771517245 577216585 /nfs/dbraw/zinc/21/65/85/577216585.db2.gz FDKCHPVZBCLDOY-RGEXLXHISA-N -1 3 347.418 2.249 20 10 EECDHM CCn1cc(S(=O)(=O)[N-]Cc2ccc(N3CCCC3)cc2)nc1C ZINC000767242271 577533005 /nfs/dbraw/zinc/53/30/05/577533005.db2.gz WORQNWSNSBLADS-UHFFFAOYSA-N -1 3 348.472 2.290 20 10 EECDHM CON(C)C(=O)[C@H](CCSC)N[C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756761791 577849884 /nfs/dbraw/zinc/84/98/84/577849884.db2.gz MRZRLVZEKTYVAF-RNCFNFMXSA-N -1 3 348.415 2.463 20 10 EECDHM CN(C)c1ccc(CN(C)C(=O)CN2CCCC[C@H]2CC(=O)[O-])cc1 ZINC000737478020 578259751 /nfs/dbraw/zinc/25/97/51/578259751.db2.gz YMKLPJVOKXAWEW-KRWDZBQOSA-N -1 3 347.459 2.040 20 10 EECDHM CN(c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])[C@H]1CCN(C2CC2)C1 ZINC000737501051 578261057 /nfs/dbraw/zinc/26/10/57/578261057.db2.gz MYHFATILEVSCFF-RRFAQUSLSA-N -1 3 331.372 2.366 20 10 EECDHM CN(C)S(=O)(=O)c1ccc(NCc2c([O-])cccc2Cl)nc1 ZINC000794955204 1201614763 /nfs/dbraw/zinc/61/47/63/1201614763.db2.gz ZODGSTIHPIOEOC-UHFFFAOYSA-N -1 3 341.820 2.303 20 10 EECDHM CC[C@H](C)NC(=O)CN1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000129098316 1201722230 /nfs/dbraw/zinc/72/22/30/1201722230.db2.gz UIXQCECVCIYPJI-ZDUSSCGKSA-N -1 3 339.867 2.078 20 10 EECDHM CC(=O)c1cc(F)cc(CN2CCO[C@H](c3ccnn3C)C2)c1[O-] ZINC000933535147 1207783618 /nfs/dbraw/zinc/78/36/18/1207783618.db2.gz SETCRLSJVBCWGJ-INIZCTEOSA-N -1 3 333.363 2.041 20 10 EECDHM CC1(C)CCC[C@@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000092422195 1214476175 /nfs/dbraw/zinc/47/61/75/1214476175.db2.gz VBIBHWCOPHFNFD-ZDUSSCGKSA-N -1 3 326.418 2.072 20 10 EECDHM O=C1CC[C@H]2CN(Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])CC[C@@H]2N1 ZINC000827141776 1250252421 /nfs/dbraw/zinc/25/24/21/1250252421.db2.gz XCQZEYHGDFLDHF-CABZTGNLSA-N -1 3 339.779 2.054 20 10 EECDHM COCNC(=S)Nc1ccc([O-])c2c1C(=O)c1ccccc1C2=O ZINC001198840226 1285393718 /nfs/dbraw/zinc/39/37/18/1285393718.db2.gz VOAIUXBJNKSOFT-UHFFFAOYSA-N -1 3 342.376 2.058 20 10 EECDHM O=C1CN(Cc2cccc(-c3ccccc3)c2[O-])CC(=O)N1C1CC1 ZINC001234997603 1305079014 /nfs/dbraw/zinc/07/90/14/1305079014.db2.gz CLQNBNRCEVGXFX-UHFFFAOYSA-N -1 3 336.391 2.392 20 10 EECDHM CC1(C)CS(=O)(=O)CCN1Cc1c([O-])cccc1Br ZINC000862363130 1295807145 /nfs/dbraw/zinc/80/71/45/1295807145.db2.gz JPKKQSACQQWMNN-UHFFFAOYSA-N -1 3 348.262 2.164 20 10 EECDHM COc1ccc(O)c(C[N-]S(=O)(=O)c2ccc(F)c(F)c2F)c1 ZINC000119849292 1296410163 /nfs/dbraw/zinc/41/01/63/1296410163.db2.gz WECKGMLTGRQHCF-UHFFFAOYSA-N -1 3 347.314 2.297 20 10 EECDHM O=C1c2cccc([O-])c2C(=O)c2c(O[C@H]3CNCC3(F)F)cccc21 ZINC001218230647 1297607947 /nfs/dbraw/zinc/60/79/47/1297607947.db2.gz CCADGEHSMKPUSS-ZDUSSCGKSA-N -1 3 345.301 2.154 20 10 EECDHM COc1cc([O-])c(CN2CCN(c3ncccn3)CC2)cc1Cl ZINC001232263572 1304056810 /nfs/dbraw/zinc/05/68/10/1304056810.db2.gz AWWQIDJZPIDFAJ-UHFFFAOYSA-N -1 3 334.807 2.166 20 10 EECDHM [O-]c1cc(I)ccc1CN1C[C@H]2CC[C@@H]1CO2 ZINC001232977943 1304313864 /nfs/dbraw/zinc/31/38/64/1304313864.db2.gz RSMLTZNKDUPHQC-VXGBXAGGSA-N -1 3 345.180 2.360 20 10 EECDHM [O-]c1cc(I)ccc1CN1CCCC12COC2 ZINC001232979024 1304314472 /nfs/dbraw/zinc/31/44/72/1304314472.db2.gz RANUHDRRZDEJDY-UHFFFAOYSA-N -1 3 345.180 2.362 20 10 EECDHM COc1cc([O-])c(CN2CC[C@@H](F)[C@@H](O)C2)cc1Br ZINC001233135545 1304372507 /nfs/dbraw/zinc/37/25/07/1304372507.db2.gz UOZDWVVCYUTURC-PWSUYJOCSA-N -1 3 334.185 2.068 20 10 EECDHM CCC(=O)N1CCN(Cc2c([O-])cccc2Br)CC1 ZINC001140098891 1314810378 /nfs/dbraw/zinc/81/03/78/1314810378.db2.gz QRFFFMMGWMEKAN-UHFFFAOYSA-N -1 3 327.222 2.209 20 10 EECDHM COC(=O)c1cc2ccccc2c(C[N@@H+]2CC[C@H](C(=O)[O-])C2)c1[O-] ZINC001610208090 1352186234 /nfs/dbraw/zinc/18/62/34/1352186234.db2.gz PCZNNCFFVZGTTQ-LBPRGKRZSA-N -1 3 329.352 2.239 20 10 EECDHM COC(=O)c1cc2ccccc2c(C[N@H+]2CC[C@H](C(=O)[O-])C2)c1[O-] ZINC001610208090 1352186236 /nfs/dbraw/zinc/18/62/36/1352186236.db2.gz PCZNNCFFVZGTTQ-LBPRGKRZSA-N -1 3 329.352 2.239 20 10 EECDHM COc1cc(Br)cc(C[N@H+](C)C[C@H](C)C(=O)[O-])c1[O-] ZINC001610280117 1352198737 /nfs/dbraw/zinc/19/87/37/1352198737.db2.gz XDRNPBCPGSUDMD-QMMMGPOBSA-N -1 3 332.194 2.316 20 10 EECDHM COc1cc(Br)cc(C[N@@H+](C)C[C@H](C)C(=O)[O-])c1[O-] ZINC001610280117 1352198738 /nfs/dbraw/zinc/19/87/38/1352198738.db2.gz XDRNPBCPGSUDMD-QMMMGPOBSA-N -1 3 332.194 2.316 20 10 EECDHM CC[C@@H]([NH2+]CC1(COC)CCC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590463169 1349339214 /nfs/dbraw/zinc/33/92/14/1349339214.db2.gz HUXJCABRYWURHI-CQSZACIVSA-N -1 3 331.420 2.430 20 10 EECDHM CC[C@H]([NH2+]CCOc1cccnc1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590471191 1349346692 /nfs/dbraw/zinc/34/66/92/1349346692.db2.gz YQMDQRAEUSYDPU-HNNXBMFYSA-N -1 3 340.387 2.087 20 10 EECDHM Cc1cc(N2CCC([NH2+][C@@H](C)c3cc(C(=O)[O-])ccc3[O-])CC2)n[nH]1 ZINC001600238821 1349999110 /nfs/dbraw/zinc/99/91/10/1349999110.db2.gz JEYWXAZWFOTLPK-LBPRGKRZSA-N -1 3 344.415 2.442 20 10 EECDHM Cc1ncsc1CC[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001592425135 1404031347 /nfs/dbraw/zinc/03/13/47/1404031347.db2.gz VKODEUWVUDROPN-SECBINFHSA-N -1 3 330.417 2.231 20 10 EECDHM C[C@@H]1[C@H](C)S(=O)(=O)CCN1Cc1ccc(Br)cc1[O-] ZINC000824848851 788322058 /nfs/dbraw/zinc/32/20/58/788322058.db2.gz BJSHZQSDMBFBHW-ZJUUUORDSA-N -1 3 348.262 2.162 20 10 EECDHM CCC[C@H]1C(=O)NCCN1Cc1ccc(Br)cc1[O-] ZINC000824894088 788338058 /nfs/dbraw/zinc/33/80/58/788338058.db2.gz AIZFVYHDQHXWDH-LBPRGKRZSA-N -1 3 327.222 2.255 20 10 EECDHM COc1cc(N2CCN(Cc3cc(Cl)c(C)cc3[O-])CC2)ncn1 ZINC000825519818 788664604 /nfs/dbraw/zinc/66/46/04/788664604.db2.gz NPDSQCVJMDHXMG-UHFFFAOYSA-N -1 3 348.834 2.475 20 10 EECDHM COc1ccccc1-n1nccc1NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148583302 792569105 /nfs/dbraw/zinc/56/91/05/792569105.db2.gz XFWDGWOPLDETRF-UHFFFAOYSA-N -1 3 341.323 2.250 20 10 EECDHM CC(=O)Nc1ccc([C@H](C)NC(=O)c2cc(O)c([O-])c(O)c2)cc1 ZINC001148590803 792576193 /nfs/dbraw/zinc/57/61/93/792576193.db2.gz QGXOAWYQMHIMRG-VIFPVBQESA-N -1 3 330.340 2.253 20 10 EECDHM NC(=O)CCNC(=O)c1cccc(NCc2c([O-])cccc2Cl)c1 ZINC000130223412 795014545 /nfs/dbraw/zinc/01/45/45/795014545.db2.gz NOTANWTUVIFQBA-UHFFFAOYSA-N -1 3 347.802 2.263 20 10 EECDHM COCCNC(=O)c1cccc(NC(=O)c2ccc(C)c(O)c2[O-])c1 ZINC000804340266 804062942 /nfs/dbraw/zinc/06/29/42/804062942.db2.gz OLHFOZFHCONBPQ-UHFFFAOYSA-N -1 3 344.367 2.035 20 10 EECDHM Cc1ccc(C[N@H+]2C[C@H](C(=O)[O-])C[C@H](c3cnn(C)c3)C2)c([O-])c1 ZINC001605273253 973059578 /nfs/dbraw/zinc/05/95/78/973059578.db2.gz RTOXHKJIAKHXSC-LSDHHAIUSA-N -1 3 329.400 2.124 20 10 EECDHM Cc1ccc(C[N@@H+]2C[C@H](C(=O)[O-])C[C@H](c3cnn(C)c3)C2)c([O-])c1 ZINC001605273253 973059592 /nfs/dbraw/zinc/05/95/92/973059592.db2.gz RTOXHKJIAKHXSC-LSDHHAIUSA-N -1 3 329.400 2.124 20 10 EECDHM CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])[C@@]12CCCO2 ZINC001596832877 985466241 /nfs/dbraw/zinc/46/62/41/985466241.db2.gz JOFYESZGFMFFDK-AKDPKCQSSA-N -1 3 335.400 2.468 20 10 EECDHM CN(Cc1ccc(OCC(=O)[O-])cc1)Cc1cc2c(cc1O)OCO2 ZINC001598523421 992688047 /nfs/dbraw/zinc/68/80/47/992688047.db2.gz FIWHSGJOVOLDIF-UHFFFAOYSA-N -1 3 345.351 2.216 20 10 EECDHM O=C(N[C@H]1CCCN(Cc2ccccc2)C1=O)c1cccc(O)c1[O-] ZINC000193149734 237371963 /nfs/dbraw/zinc/37/19/63/237371963.db2.gz FFFHQMXVWHJLND-HNNXBMFYSA-N -1 3 340.379 2.019 20 10 EECDHM Cc1ccc(C(=O)NC[C@]2(CO)C[C@H]2c2ccccc2)c([O-])c1O ZINC000292660617 238186009 /nfs/dbraw/zinc/18/60/09/238186009.db2.gz LLYISGRTNSIJEY-KXBFYZLASA-N -1 3 327.380 2.302 20 10 EECDHM O=S(=O)(C1CC1)N1CCN(Cc2c([O-])ccc3ccccc32)CC1 ZINC000529639605 317622815 /nfs/dbraw/zinc/62/28/15/317622815.db2.gz JFQAAWITZDSVOE-UHFFFAOYSA-N -1 3 346.452 2.155 20 10 EECDHM CC[C@H](C)NC(=O)CN1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000129112443 462690247 /nfs/dbraw/zinc/69/02/47/462690247.db2.gz SQCICGCHZJNIPI-ZDUSSCGKSA-N -1 3 339.867 2.078 20 10 EECDHM C[C@H]1C[C@@H](N2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)CCO1 ZINC000277485917 463918929 /nfs/dbraw/zinc/91/89/29/463918929.db2.gz UPPXJOKLHVANKS-GWCFXTLKSA-N -1 3 338.791 2.377 20 10 EECDHM COc1c([O-])c(CN[C@H](C)c2nnc(C(C)C)[nH]2)ccc1[N+](=O)[O-] ZINC000278522392 463970015 /nfs/dbraw/zinc/97/00/15/463970015.db2.gz SGRJFQXJTSUBEY-SECBINFHSA-N -1 3 335.364 2.401 20 10 EECDHM COc1c([O-])c(CN[C@H](C)c2n[nH]c(C(C)C)n2)ccc1[N+](=O)[O-] ZINC000278522392 463970018 /nfs/dbraw/zinc/97/00/18/463970018.db2.gz SGRJFQXJTSUBEY-SECBINFHSA-N -1 3 335.364 2.401 20 10 EECDHM O=C(c1cccc(O)c1[O-])N1CCOC[C@@H]1C[C@H](O)c1cccs1 ZINC000279091068 464036553 /nfs/dbraw/zinc/03/65/53/464036553.db2.gz GESZDHFBLYOGBJ-FZMZJTMJSA-N -1 3 349.408 2.124 20 10 EECDHM COC(=O)CC[C@@H](Cc1ccccc1)NC(=O)c1cccc(O)c1[O-] ZINC000279684809 464126488 /nfs/dbraw/zinc/12/64/88/464126488.db2.gz AXCKJWQOZVSFHH-AWEZNQCLSA-N -1 3 343.379 2.392 20 10 EECDHM CC(=O)c1cc(F)cc(CN[C@@H](C(N)=O)[C@H](C)c2ccccc2)c1[O-] ZINC000292258308 464175328 /nfs/dbraw/zinc/17/53/28/464175328.db2.gz RHIUYMDWILAWIU-PIGZYNQJSA-N -1 3 344.386 2.481 20 10 EECDHM C[C@](O)(CNCc1cc(Cl)cc([N+](=O)[O-])c1[O-])C(F)(F)F ZINC000270466956 464257253 /nfs/dbraw/zinc/25/72/53/464257253.db2.gz GRDXLCMGEKIROC-JTQLQIEISA-N -1 3 328.674 2.357 20 10 EECDHM [O-]c1ccccc1CN(Cc1ncnn1CCF)C[C@@H]1CCCO1 ZINC000281763514 464576898 /nfs/dbraw/zinc/57/68/98/464576898.db2.gz YZGOUQPSUZVBPT-HNNXBMFYSA-N -1 3 334.395 2.134 20 10 EECDHM CC(=O)c1cc(F)cc(CN2CC(=O)N(CCC(F)(F)F)C2)c1[O-] ZINC000295138253 464718368 /nfs/dbraw/zinc/71/83/68/464718368.db2.gz LYOMJKIWVWDSAJ-UHFFFAOYSA-N -1 3 348.296 2.288 20 10 EECDHM C[C@H](CN(C)Cc1ccccc1)NC(=O)c1c(F)ccc(O)c1[O-] ZINC000276560318 464979090 /nfs/dbraw/zinc/97/90/90/464979090.db2.gz LPBZGFFNBCAHOW-GFCCVEGCSA-N -1 3 332.375 2.487 20 10 EECDHM COCCn1cc2c(n1)[C@H](NC(=O)c1ccc(C)c(O)c1[O-])CCC2 ZINC000378581566 467346783 /nfs/dbraw/zinc/34/67/83/467346783.db2.gz TVVOJNILZGZURW-CQSZACIVSA-N -1 3 345.399 2.057 20 10 EECDHM Cc1ccc(O)c(CN2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000091924546 534194465 /nfs/dbraw/zinc/19/44/65/534194465.db2.gz HUGBJQYSTONCGW-UHFFFAOYSA-N -1 3 326.396 2.364 20 10 EECDHM Fc1cccc(F)c1NNC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000737660333 576262599 /nfs/dbraw/zinc/26/25/99/576262599.db2.gz IMVVPAKLZHSHCO-UHFFFAOYSA-N -1 3 347.354 2.458 20 10 EECDHM Fc1cccc(F)c1NNC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000737660333 576262602 /nfs/dbraw/zinc/26/26/02/576262602.db2.gz IMVVPAKLZHSHCO-UHFFFAOYSA-N -1 3 347.354 2.458 20 10 EECDHM COC(=O)c1ccc([O-])c([C@H]2NC(=N)Nc3nc4ccccc4n32)c1 ZINC000726796989 576300450 /nfs/dbraw/zinc/30/04/50/576300450.db2.gz NPHROKPMOPZARU-AWEZNQCLSA-N -1 3 337.339 2.025 20 10 EECDHM C[C@@H](OC(=O)c1cc([O-])cs1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000731911214 577133287 /nfs/dbraw/zinc/13/32/87/577133287.db2.gz GKBSUKWMQWMFKV-SECBINFHSA-N -1 3 349.364 2.409 20 10 EECDHM Cc1cc(Br)cc(CN2C[C@H](CO)OC[C@H]2C)c1[O-] ZINC000775740554 577444475 /nfs/dbraw/zinc/44/44/75/577444475.db2.gz KUIPFFRGLBRVCM-ZWNOBZJWSA-N -1 3 330.222 2.045 20 10 EECDHM CC(=O)c1cc([O-])ccc1NS(=O)(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000766047441 577511794 /nfs/dbraw/zinc/51/17/94/577511794.db2.gz ISPHCDJCJTUOAR-PHIMTYICSA-N -1 3 326.418 2.229 20 10 EECDHM COC(=O)c1ccc2c(c1)CN(Cc1cc3c(cc1[O-])OC[C@H]3O)C2 ZINC000768451050 577555978 /nfs/dbraw/zinc/55/59/78/577555978.db2.gz LONULKNJCFMCGF-QGZVFWFLSA-N -1 3 341.363 2.120 20 10 EECDHM CCOc1ccc(CN2CCNC(=O)[C@@H]2c2ccccc2)c([O-])c1 ZINC000769191727 577572070 /nfs/dbraw/zinc/57/20/70/577572070.db2.gz BTCDSJXVXHWXGD-SFHVURJKSA-N -1 3 326.396 2.464 20 10 EECDHM Cc1cc(C(=O)Nc2cc[nH]n2)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000737236652 578244993 /nfs/dbraw/zinc/24/49/93/578244993.db2.gz PTYWKMCWDFYITM-UHFFFAOYSA-N -1 3 348.370 2.250 20 10 EECDHM Cc1cc(C(=O)Nc2cc[nH]n2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737236652 578244994 /nfs/dbraw/zinc/24/49/94/578244994.db2.gz PTYWKMCWDFYITM-UHFFFAOYSA-N -1 3 348.370 2.250 20 10 EECDHM CCN(C[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(OC)cc1 ZINC000821170234 606922459 /nfs/dbraw/zinc/92/24/59/606922459.db2.gz OKRSGGUNIGLXDT-QGZVFWFLSA-N -1 3 339.399 2.435 20 10 EECDHM CCN(C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(OC)cc1 ZINC000821170234 606922461 /nfs/dbraw/zinc/92/24/61/606922461.db2.gz OKRSGGUNIGLXDT-QGZVFWFLSA-N -1 3 339.399 2.435 20 10 EECDHM O=C(c1cccnc1)N1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000156883779 676462051 /nfs/dbraw/zinc/46/20/51/676462051.db2.gz NWDGAPUTHAQRSJ-UHFFFAOYSA-N -1 3 331.803 2.399 20 10 EECDHM CC[C@@H](C)N1C[C@@]2(CC1=O)CCCCN2C(=O)c1cccc(O)c1[O-] ZINC001269687764 1184523052 /nfs/dbraw/zinc/52/30/52/1184523052.db2.gz ZMWDCWAESSFJRK-YJYMSZOUSA-N -1 3 346.427 2.494 20 10 EECDHM CC[C@H](C)N1CC2(CN(Cc3cc(Cl)ccc3[O-])C2)OCC1=O ZINC001272628804 1190939803 /nfs/dbraw/zinc/93/98/03/1190939803.db2.gz IYHNXHGYUPHBIK-LBPRGKRZSA-N -1 3 338.835 2.257 20 10 EECDHM CC(C)CN1C[C@@]2(F)CN(Cc3cc(F)ccc3[O-])C[C@@]2(F)C1=O ZINC001273283894 1197950712 /nfs/dbraw/zinc/95/07/12/1197950712.db2.gz BGPNAANCNGMALI-DLBZAZTESA-N -1 3 342.361 2.262 20 10 EECDHM C[C@@H]1CN(Cc2ccc(Br)cc2[O-])C[C@@H](C)S1=O ZINC000825685694 1198669746 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COc1cc(OC2COC2)c2c(c1)C(=O)c1cc(C)cc([O-])c1C2=O ZINC001227394715 1301812191 /nfs/dbraw/zinc/81/21/91/1301812191.db2.gz GWPDZFKEKAQGJD-UHFFFAOYSA-N -1 3 340.331 2.262 20 10 EECDHM CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3ccc(C(=O)[O-])cc3[O-])C[C@H]21 ZINC001231453992 1303803008 /nfs/dbraw/zinc/80/30/08/1303803008.db2.gz MWSUMOOCHPDFOI-UONOGXRCSA-N -1 3 348.399 2.142 20 10 EECDHM CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(C(=O)[O-])cc3[O-])C[C@H]21 ZINC001231453992 1303803015 /nfs/dbraw/zinc/80/30/15/1303803015.db2.gz MWSUMOOCHPDFOI-UONOGXRCSA-N -1 3 348.399 2.142 20 10 EECDHM Cc1cc([O-])c(CN2CCOC[C@@](O)(C(F)(F)F)C2)cc1Cl ZINC001231866549 1303933790 /nfs/dbraw/zinc/93/37/90/1303933790.db2.gz AINPZJKKCMRMGS-CYBMUJFWSA-N -1 3 339.741 2.480 20 10 EECDHM COc1cc([O-])c(CN2CCO[C@@H]3C[C@H](CO)C[C@@H]32)cc1Cl ZINC001232266696 1304058748 /nfs/dbraw/zinc/05/87/48/1304058748.db2.gz RHUGLEWJVNUSAG-AKWBHNSASA-N -1 3 327.808 2.026 20 10 EECDHM COc1cc([O-])c(CN2CCN(c3cccnn3)CC2)cc1Cl ZINC001232269933 1304059388 /nfs/dbraw/zinc/05/93/88/1304059388.db2.gz OKVVNBMVIPSKGS-UHFFFAOYSA-N -1 3 334.807 2.166 20 10 EECDHM COc1cc([O-])c(CN2CCC[C@@]3(CNC(=O)O3)C2)cc1Cl ZINC001232269772 1304059960 /nfs/dbraw/zinc/05/99/60/1304059960.db2.gz KLMGMDRHLRFDIU-OAHLLOKOSA-N -1 3 326.780 2.129 20 10 EECDHM COC(=O)CC1CN(Cc2cc(Br)c(OC)cc2[O-])C1 ZINC001233140688 1304373976 /nfs/dbraw/zinc/37/39/76/1304373976.db2.gz RBDOMZROAUVDQH-UHFFFAOYSA-N -1 3 344.205 2.158 20 10 EECDHM CN(C)C1=NOC2(C1)CCN(Cc1c([O-])ccc(F)c1F)CC2 ZINC001233334128 1304434824 /nfs/dbraw/zinc/43/48/24/1304434824.db2.gz VNDGVYCKXXVDOD-UHFFFAOYSA-N -1 3 325.359 2.300 20 10 EECDHM CN(C)C[C@@H]1CN(Cc2cc(F)cc(Br)c2[O-])CCO1 ZINC001235296592 1305180837 /nfs/dbraw/zinc/18/08/37/1305180837.db2.gz LJSYCTLNMSXFPU-GFCCVEGCSA-N -1 3 347.228 2.056 20 10 EECDHM COc1ccc(CN2CCC(NC(=O)N(C)C)CC2)c([O-])c1Cl ZINC001236809737 1305686097 /nfs/dbraw/zinc/68/60/97/1305686097.db2.gz NZIQDHRXGQRPDR-UHFFFAOYSA-N -1 3 341.839 2.290 20 10 EECDHM C[C@@H]1CN(Cc2cccc(I)c2[O-])CC[C@H]1O ZINC001237778480 1306084364 /nfs/dbraw/zinc/08/43/64/1306084364.db2.gz WLHLIYZHVRYAKP-BXKDBHETSA-N -1 3 347.196 2.200 20 10 EECDHM [O-]c1c(I)cccc1CN1CCCOCC1 ZINC001237781965 1306088955 /nfs/dbraw/zinc/08/89/55/1306088955.db2.gz CWYSIHXFVHVOET-UHFFFAOYSA-N -1 3 333.169 2.219 20 10 EECDHM COc1cc([O-])c(CN2CCCO2)cc1I ZINC001248462332 1310907644 /nfs/dbraw/zinc/90/76/44/1310907644.db2.gz UZJZTQUTPNYKKS-UHFFFAOYSA-N -1 3 335.141 2.143 20 10 EECDHM CN(C)C(=O)[C@@H]1CCCN1Cc1c([O-])cccc1Br ZINC001140100730 1314811312 /nfs/dbraw/zinc/81/13/12/1314811312.db2.gz AIVINCNXSZCHKF-LBPRGKRZSA-N -1 3 327.222 2.207 20 10 EECDHM C[C@H](Sc1nccs1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC001590038013 1349120299 /nfs/dbraw/zinc/12/02/99/1349120299.db2.gz WKWUIMCCSDQOMN-QMMMGPOBSA-N -1 3 332.414 2.443 20 10 EECDHM C[C@H](Sc1nccs1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC001590038013 1349120305 /nfs/dbraw/zinc/12/03/05/1349120305.db2.gz WKWUIMCCSDQOMN-QMMMGPOBSA-N -1 3 332.414 2.443 20 10 EECDHM COc1ccc(C(=O)[N-]C(=O)C[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC001308010496 1331558241 /nfs/dbraw/zinc/55/82/41/1331558241.db2.gz QAOWKFFKUCAKHF-GFCCVEGCSA-N -1 3 328.368 2.008 20 10 EECDHM C[C@@H]1C(=O)N[C@@H](C)[C@H](C)N1Cc1c([O-])cccc1Br ZINC001308846026 1331607096 /nfs/dbraw/zinc/60/70/96/1331607096.db2.gz XUCPDJMTZQSRDQ-LPEHRKFASA-N -1 3 327.222 2.252 20 10 EECDHM Cc1nc[n-]c(=O)c1CCC(=O)NCCCSc1nccs1 ZINC001318730327 1332584331 /nfs/dbraw/zinc/58/43/31/1332584331.db2.gz YCMXIPQHVDTCPQ-UHFFFAOYSA-N -1 3 338.458 2.178 20 10 EECDHM C[C@H]([NH2+]C[C@@H]1C[C@H]1C1CCOCC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603665066 1350737328 /nfs/dbraw/zinc/73/73/28/1350737328.db2.gz XZEJUUQVJPOAOO-RBOXIYTFSA-N -1 3 343.431 2.286 20 10 EECDHM C[C@@H]([NH2+][C@H](CCO)c1ccccc1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603679847 1350740754 /nfs/dbraw/zinc/74/07/54/1350740754.db2.gz XJBQHDYZUPCEPZ-MLGOLLRUSA-N -1 3 339.399 2.347 20 10 EECDHM CC[C@H]([NH2+]C[C@@H]1CCOC[C@H]1C)c1cccc(-c2nn[n-]n2)c1[O-] 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340.445 2.414 20 10 EECDHM COc1cccc(C(=O)NCc2ccc(N3CCOCC3)cc2)c1[O-] ZINC000097152700 533410608 /nfs/dbraw/zinc/41/06/08/533410608.db2.gz LPPTVTFCGKEVRF-UHFFFAOYSA-N -1 3 342.395 2.167 20 10 EECDHM CC(=O)c1cc(F)cc(CN2CCC(C)(C)S(=O)(=O)CC2)c1[O-] ZINC000194988073 278244124 /nfs/dbraw/zinc/24/41/24/278244124.db2.gz NBAIOLIRYRSSEH-UHFFFAOYSA-N -1 3 343.420 2.133 20 10 EECDHM COC(=O)c1ccccc1N(C)C(=O)CN(C)Cc1ccccc1[O-] ZINC000121140560 463086094 /nfs/dbraw/zinc/08/60/94/463086094.db2.gz QLQRWBFPYXKZKZ-UHFFFAOYSA-N -1 3 342.395 2.274 20 10 EECDHM Cc1nccn1-c1ccc(CNC(=O)c2ccc(C)c(O)c2[O-])cn1 ZINC000177674258 463763071 /nfs/dbraw/zinc/76/30/71/463763071.db2.gz HFPMUQXKLVFUOQ-UHFFFAOYSA-N -1 3 338.367 2.225 20 10 EECDHM C[C@H]1CCN(Cc2cc(Br)ccc2[O-])CC[S@]1=O ZINC000277727791 463930080 /nfs/dbraw/zinc/93/00/80/463930080.db2.gz SUGXKPIVUZGAIS-XTZNXHDOSA-N -1 3 332.263 2.498 20 10 EECDHM CCCN(Cc1nnnn1CC1CCOCC1)Cc1ccccc1[O-] ZINC000277720921 463929609 /nfs/dbraw/zinc/92/96/09/463929609.db2.gz 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577523015 /nfs/dbraw/zinc/52/30/15/577523015.db2.gz HWWXMXUOEWVDRL-CQSZACIVSA-N -1 3 334.441 2.340 20 10 EECDHM CCOC(=O)[C@@]1(CCOC(=O)c2cc([O-])cs2)CCCC1=O ZINC000767345061 577535136 /nfs/dbraw/zinc/53/51/36/577535136.db2.gz JHCSQNYOXLKCOL-OAHLLOKOSA-N -1 3 326.370 2.303 20 10 EECDHM CCOc1ccc(CN2CCN(C(=O)c3ccccn3)CC2)c([O-])c1 ZINC000768536416 577558088 /nfs/dbraw/zinc/55/80/88/577558088.db2.gz JFKQPNJRSQXAHG-UHFFFAOYSA-N -1 3 341.411 2.144 20 10 EECDHM COc1ccc(N2CCC(NC(=O)c3csc(=O)[n-]3)CC2)cc1 ZINC000769700201 577582543 /nfs/dbraw/zinc/58/25/43/577582543.db2.gz AEMVBSXCJRMOON-UHFFFAOYSA-N -1 3 333.413 2.256 20 10 EECDHM CNC(=O)c1cc(OC)ccc1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000770485097 577597287 /nfs/dbraw/zinc/59/72/87/577597287.db2.gz IZCKOCKECFEVOJ-UHFFFAOYSA-N -1 3 330.340 2.027 20 10 EECDHM CC(=O)c1cc(Cl)cc(CN(C)[C@@H](CO)COC(C)C)c1[O-] ZINC000763878453 577727281 /nfs/dbraw/zinc/72/72/81/577727281.db2.gz KPZIXNKIGMHYOJ-AWEZNQCLSA-N -1 3 329.824 2.466 20 10 EECDHM O=C([O-])Cc1ccccc1CNCc1ccc(N2CCOCC2)cc1 ZINC000756303793 577841690 /nfs/dbraw/zinc/84/16/90/577841690.db2.gz ZGFMDDWJFTXGLE-UHFFFAOYSA-N -1 3 340.423 2.440 20 10 EECDHM CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc([O-])cs1 ZINC000743521062 577886620 /nfs/dbraw/zinc/88/66/20/577886620.db2.gz OMSGUUDSZIHONN-AWEZNQCLSA-N -1 3 343.408 2.022 20 10 EECDHM COc1cc(O)c(CN(CCC(=O)[O-])Cc2ccncc2)cc1OC ZINC000833730124 604545377 /nfs/dbraw/zinc/54/53/77/604545377.db2.gz WSCLCGWXMIWXGC-UHFFFAOYSA-N -1 3 346.383 2.281 20 10 EECDHM CN1CCN(c2ccc(CNC(=O)c3ccc([O-])c(F)c3)cc2)CC1 ZINC000881852617 1201775069 /nfs/dbraw/zinc/77/50/69/1201775069.db2.gz YEZIPZIHXXQZRM-UHFFFAOYSA-N -1 3 343.402 2.213 20 10 EECDHM COC(=O)CN(CC(=O)OC)Cc1cccc(-c2ccccc2)c1[O-] ZINC001234996849 1305079150 /nfs/dbraw/zinc/07/91/50/1305079150.db2.gz NMIWEZLFLUBKCN-UHFFFAOYSA-N -1 3 343.379 2.207 20 10 EECDHM O=C([N-]Cc1ccc(N2CCC(O)CC2)cc1)C(F)(F)C(F)F ZINC000856211550 1293446290 /nfs/dbraw/zinc/44/62/90/1293446290.db2.gz UJXSMIIKQHBOJJ-UHFFFAOYSA-N -1 3 334.313 2.164 20 10 EECDHM [O-]c1c(O)c(O)ccc1-c1nc(-c2ccc(OC3COC3)cc2)no1 ZINC001215325570 1296822501 /nfs/dbraw/zinc/82/25/01/1296822501.db2.gz ZVMSFLUEGAXFQF-UHFFFAOYSA-N -1 3 342.307 2.298 20 10 EECDHM Cc1ccccc1S(=O)(=O)[N-]c1ccc(NS(C)(=O)=O)cc1 ZINC000316658515 1298613592 /nfs/dbraw/zinc/61/35/92/1298613592.db2.gz QMBIAIKVLDGMJF-UHFFFAOYSA-N -1 3 340.426 2.167 20 10 EECDHM CC(C)C(=O)N1CC[C@@H]2C[N@H+](Cc3ccc(C(=O)[O-])cc3[O-])CC[C@H]21 ZINC001231451689 1303801100 /nfs/dbraw/zinc/80/11/00/1303801100.db2.gz PXGZTQIUBJFBLN-GDBMZVCRSA-N -1 3 346.427 2.169 20 10 EECDHM CC(C)C(=O)N1CC[C@@H]2C[N@@H+](Cc3ccc(C(=O)[O-])cc3[O-])CC[C@H]21 ZINC001231451689 1303801105 /nfs/dbraw/zinc/80/11/05/1303801105.db2.gz PXGZTQIUBJFBLN-GDBMZVCRSA-N -1 3 346.427 2.169 20 10 EECDHM [O-]c1cc(I)ccc1CN1CC[C@]12CCOC2 ZINC001232977809 1304313246 /nfs/dbraw/zinc/31/32/46/1304313246.db2.gz NEPTZXIUTZAAHR-CYBMUJFWSA-N -1 3 345.180 2.362 20 10 EECDHM COC(=O)[C@@H](C)Oc1cc([O-])cc2oc3cc(O)c(O)cc3c(=O)c12 ZINC001234749219 1305018688 /nfs/dbraw/zinc/01/86/88/1305018688.db2.gz PPNHEFQKYXQSGO-SSDOTTSWSA-N -1 3 346.291 2.003 20 10 EECDHM COc1cc([O-])c(CN2CCN(c3cccnn3)CC2)c(Cl)c1 ZINC001236804498 1305681806 /nfs/dbraw/zinc/68/18/06/1305681806.db2.gz VHLYXPLNPXQPIB-UHFFFAOYSA-N -1 3 334.807 2.166 20 10 EECDHM O=S1(=O)CCN(Cc2cc(Cl)ccc2[O-])[C@@H](C2CCC2)C1 ZINC000840955979 1315445529 /nfs/dbraw/zinc/44/55/29/1315445529.db2.gz FGZFJERJXHTHPL-CQSZACIVSA-N -1 3 329.849 2.445 20 10 EECDHM [O-]c1cc(F)c(F)cc1CN1C[C@@H](OCC2CC2)[C@H]2COC[C@H]21 ZINC001142521152 1315647919 /nfs/dbraw/zinc/64/79/19/1315647919.db2.gz ZWWXLPRCHJIWCN-XGWLTEMNSA-N -1 3 325.355 2.296 20 10 EECDHM CN(C)C(=O)c1cccc(CNCc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC001308196902 1331572745 /nfs/dbraw/zinc/57/27/45/1331572745.db2.gz KXXIPRUEPGKQAK-UHFFFAOYSA-N -1 3 329.356 2.292 20 10 EECDHM Cc1cccc(C)c1CN(C)Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1 ZINC000903943981 1331618211 /nfs/dbraw/zinc/61/82/11/1331618211.db2.gz GWINMDPOMDRAPB-UHFFFAOYSA-N -1 3 340.383 2.382 20 10 EECDHM COCC1(CC[NH2+][C@H](C)c2cccc(-c3nn[n-]n3)c2[O-])CCC1 ZINC001591387826 1403908539 /nfs/dbraw/zinc/90/85/39/1403908539.db2.gz FUQVFNNERWHJRG-GFCCVEGCSA-N -1 3 331.420 2.430 20 10 EECDHM O=C(Cc1ccc([O-])c(F)c1)NCc1ccc(N2CCOCC2)cc1 ZINC000822720580 787373580 /nfs/dbraw/zinc/37/35/80/787373580.db2.gz HAIVNLWAEXEJJL-UHFFFAOYSA-N -1 3 344.386 2.227 20 10 EECDHM C[C@@H]1[C@H](C)[S@@](=O)CCN1Cc1ccc(Br)cc1[O-] ZINC000824850329 788322189 /nfs/dbraw/zinc/32/21/89/788322189.db2.gz LRCFMJGFJWNSSZ-JJQCHNSYSA-N -1 3 332.263 2.496 20 10 EECDHM O=C(Nc1cc(Cl)nc(N2CCOCC2)c1)c1cccc(O)c1[O-] ZINC001148212073 792245515 /nfs/dbraw/zinc/24/55/15/792245515.db2.gz KWUSZBZRXLNHMZ-UHFFFAOYSA-N -1 3 349.774 2.235 20 10 EECDHM Cc1cc(NC(=O)c2cc(O)c([O-])c(O)c2)n(C(=O)OC(C)(C)C)n1 ZINC001148581273 792567329 /nfs/dbraw/zinc/56/73/29/792567329.db2.gz PUGNANBVNOGTTL-UHFFFAOYSA-N -1 3 349.343 2.344 20 10 EECDHM Cc1cc(CC(=O)NCc2cc(Cl)c3cccnc3c2[O-])nn1C ZINC001177892497 799165879 /nfs/dbraw/zinc/16/58/79/799165879.db2.gz SCHNDUFTPJXHEE-UHFFFAOYSA-N -1 3 344.802 2.495 20 10 EECDHM COC(=O)[C@@H]1CN(Cc2c3c(ccc2[O-])oc2c3CCCC2)CCO1 ZINC000103134631 803660374 /nfs/dbraw/zinc/66/03/74/803660374.db2.gz GJZOVGPUBLDILM-KRWDZBQOSA-N -1 3 345.395 2.391 20 10 EECDHM COc1ccc(NC(=O)c2cccc(O)c2[O-])cc1N1CCOC1=O ZINC000790813892 808909316 /nfs/dbraw/zinc/90/93/16/808909316.db2.gz UKAPDTCJICPGBF-UHFFFAOYSA-N -1 3 344.323 2.315 20 10 EECDHM C[C@H](Nc1cccc(C(=O)N(C)CC(N)=O)c1)c1ccc(F)cc1[O-] ZINC000793564789 810412867 /nfs/dbraw/zinc/41/28/67/810412867.db2.gz MLQNPZBNLLNLHH-NSHDSACASA-N -1 3 345.374 2.262 20 10 EECDHM CCCNC(=O)OC[C@@H]1CCCCN1C(=O)c1cccc(O)c1[O-] ZINC000805420520 811280157 /nfs/dbraw/zinc/28/01/57/811280157.db2.gz HSPYXJUOYKIPBX-LBPRGKRZSA-N -1 3 336.388 2.229 20 10 EECDHM COc1cc(C)c(C[NH2+]C[C@H]2CCC3(CC(C(=O)[O-])C3)O2)c([O-])c1 ZINC001574182268 962819347 /nfs/dbraw/zinc/81/93/47/962819347.db2.gz VREXVXTZEGETIQ-YNAXMUEKSA-N -1 3 335.400 2.211 20 10 EECDHM O=C(N[C@@H]1CCN(c2ccc(F)cc2F)C1)c1cccc(O)c1[O-] ZINC000366169557 238244851 /nfs/dbraw/zinc/24/48/51/238244851.db2.gz IOBKJSSUFJOCII-LLVKDONJSA-N -1 3 334.322 2.385 20 10 EECDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1cnccn1 ZINC000158065553 463201898 /nfs/dbraw/zinc/20/18/98/463201898.db2.gz SZAPUJFNTNAPTJ-CQSZACIVSA-N -1 3 346.818 2.230 20 10 EECDHM Cc1ccc(C(=O)NCCOCC(F)(F)C(F)F)c([O-])c1O ZINC000277620917 463923009 /nfs/dbraw/zinc/92/30/09/463923009.db2.gz QWCLEZIJANTRKM-UHFFFAOYSA-N -1 3 325.258 2.053 20 10 EECDHM C[C@H](NCC(=O)NCC1CC1)c1cc(Br)ccc1[O-] ZINC000186504686 464014059 /nfs/dbraw/zinc/01/40/59/464014059.db2.gz LJXOCFHALFNIML-VIFPVBQESA-N -1 3 327.222 2.332 20 10 EECDHM Cc1cc(Br)cc(CN2CCCC[C@@H]2C(N)=O)c1[O-] ZINC000179581362 464160212 /nfs/dbraw/zinc/16/02/12/464160212.db2.gz KVAHIAYPANMEFB-GFCCVEGCSA-N -1 3 327.222 2.303 20 10 EECDHM O=C(c1cccc(O)c1[O-])N1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000290462862 464118939 /nfs/dbraw/zinc/11/89/39/464118939.db2.gz CJDANBOLQUTHEO-IBGZPJMESA-N -1 3 345.370 2.304 20 10 EECDHM CC(=O)c1cc(F)cc(CN[C@H](C(N)=O)[C@H](C)c2ccccc2)c1[O-] ZINC000292258299 464175517 /nfs/dbraw/zinc/17/55/17/464175517.db2.gz RHIUYMDWILAWIU-DIFFPNOSSA-N -1 3 344.386 2.481 20 10 EECDHM O=C(Nc1ccccc1CN1CCOCC1)c1cccc(O)c1[O-] ZINC000188234618 464232375 /nfs/dbraw/zinc/23/23/75/464232375.db2.gz UTBBGCMTCKNZMJ-UHFFFAOYSA-N -1 3 328.368 2.182 20 10 EECDHM C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H](C)N1C(=O)c1cccc(O)c1[O-] ZINC000293756717 464420009 /nfs/dbraw/zinc/42/00/09/464420009.db2.gz TVYBKBFDVKLRCO-TXEJJXNPSA-N -1 3 334.416 2.205 20 10 EECDHM O=C(NC[C@H](c1ccco1)N1CCCC1)c1c(F)ccc(O)c1[O-] ZINC000294647050 464562617 /nfs/dbraw/zinc/56/26/17/464562617.db2.gz BGHYLPGUMCFFIB-GFCCVEGCSA-N -1 3 334.347 2.397 20 10 EECDHM Cc1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)CC(=O)N3C)c([O-])c1O ZINC000272884163 464693196 /nfs/dbraw/zinc/69/31/96/464693196.db2.gz YGNLKPREWKBYNX-NSHDSACASA-N -1 3 340.379 2.416 20 10 EECDHM Cc1cc(Br)cc(CN[C@@H](C)c2ncn(C)n2)c1[O-] ZINC000276299539 464880830 /nfs/dbraw/zinc/88/08/30/464880830.db2.gz UPDOFDPRQXHVPN-VIFPVBQESA-N -1 3 325.210 2.442 20 10 EECDHM NC(=O)C1CCN(c2ccccc2NC(=O)c2cc([O-])cs2)CC1 ZINC000731872274 577129795 /nfs/dbraw/zinc/12/97/95/577129795.db2.gz BHWZMXUMUKXWQH-UHFFFAOYSA-N -1 3 345.424 2.408 20 10 EECDHM C[C@@H](OC(=O)c1cc([O-])cs1)C(=O)NC(=O)NC1CCCCC1 ZINC000731910878 577133003 /nfs/dbraw/zinc/13/30/03/577133003.db2.gz VPXARCDATGCCFH-SECBINFHSA-N -1 3 340.401 2.158 20 10 EECDHM O=C(N[C@H]1CC(=O)N(c2c(F)cccc2F)C1)c1cc([O-])cs1 ZINC000771416598 577211804 /nfs/dbraw/zinc/21/18/04/577211804.db2.gz GPXCDUMDKWRQDL-QMMMGPOBSA-N -1 3 338.335 2.267 20 10 EECDHM COc1cc(NC(=O)c2cccc(O)c2[O-])ccc1N1CCCC1=O ZINC000776326192 577457716 /nfs/dbraw/zinc/45/77/16/577457716.db2.gz XPRXXYICWQLVGB-UHFFFAOYSA-N -1 3 342.351 2.486 20 10 EECDHM CN(Cc1cc2c(cc1[O-])OC[C@@H]2O)Cc1ccccc1[N+](=O)[O-] ZINC000768441338 577555674 /nfs/dbraw/zinc/55/56/74/577555674.db2.gz JYVGZSZQEOBETO-INIZCTEOSA-N -1 3 330.340 2.358 20 10 EECDHM CN(Cc1ccc([S@@](C)=O)cc1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768464395 577556421 /nfs/dbraw/zinc/55/64/21/577556421.db2.gz QMMZFDYZTCCJNI-MZNJEOGPSA-N -1 3 347.436 2.187 20 10 EECDHM CCOC(=O)[C@@H](C)NCc1cc(Br)cc(OC)c1[O-] ZINC000763273391 577718268 /nfs/dbraw/zinc/71/82/68/577718268.db2.gz XUFPCAWNJAUKJP-MRVPVSSYSA-N -1 3 332.194 2.205 20 10 EECDHM O=C([O-])/C=C\c1ccc(N2CC[C@H](N3CC=CC3)C2)c([N+](=O)[O-])c1 ZINC000833196393 600819550 /nfs/dbraw/zinc/81/95/50/600819550.db2.gz SHSGAIIFTJJADQ-SDQPKGBYSA-N -1 3 329.356 2.143 20 10 EECDHM CC(C)CN1C(=O)COCC12CN(Cc1c([O-])cccc1Cl)C2 ZINC001273108152 1194391714 /nfs/dbraw/zinc/39/17/14/1194391714.db2.gz ISDBPCKMYMZEKZ-UHFFFAOYSA-N -1 3 338.835 2.115 20 10 EECDHM CC(C)CN1C(=O)COCC12CN(Cc1ccc(Cl)cc1[O-])C2 ZINC001273164673 1197226096 /nfs/dbraw/zinc/22/60/96/1197226096.db2.gz YKMFYXCWIXVPOX-UHFFFAOYSA-N -1 3 338.835 2.115 20 10 EECDHM COC(=O)N1CC(NCc2cc(Cl)cc(Br)c2[O-])C1 ZINC000883051013 1202003348 /nfs/dbraw/zinc/00/33/48/1202003348.db2.gz JXQPBIHOHWOGJR-UHFFFAOYSA-N -1 3 349.612 2.348 20 10 EECDHM [O-]c1cc(F)cc(F)c1CN1C[C@@H]2[C@H](C1)OCCN2C1CCCC1 ZINC001275306424 1205304538 /nfs/dbraw/zinc/30/45/38/1205304538.db2.gz HVURFTNBDIXOAG-AEFFLSMTSA-N -1 3 338.398 2.498 20 10 EECDHM COc1nc(S(=O)(=O)[N-]Cc2c(C)cc(C)cc2O)ccc1F ZINC001190125748 1280698270 /nfs/dbraw/zinc/69/82/70/1280698270.db2.gz OTGWSGNADLUIRK-UHFFFAOYSA-N -1 3 340.376 2.030 20 10 EECDHM CCCCN1CC[C@@]2(CCC[N@@H+]2Cc2ccc(C(=O)[O-])cc2[O-])C1=O ZINC001273708598 1283816417 /nfs/dbraw/zinc/81/64/17/1283816417.db2.gz ZPSHWUDSGHJACF-IBGZPJMESA-N -1 3 346.427 2.457 20 10 EECDHM CCCCN1CC[C@@]2(CCC[N@H+]2Cc2ccc(C(=O)[O-])cc2[O-])C1=O ZINC001273708598 1283816430 /nfs/dbraw/zinc/81/64/30/1283816430.db2.gz ZPSHWUDSGHJACF-IBGZPJMESA-N -1 3 346.427 2.457 20 10 EECDHM O=C1c2ccc(O[C@H]3CCNC[C@H]3F)cc2C(=O)c2ccc([O-])cc21 ZINC001218064673 1297561404 /nfs/dbraw/zinc/56/14/04/1297561404.db2.gz AJSRINHAPCRSBW-SJORKVTESA-N -1 3 341.338 2.246 20 10 EECDHM CCOC(=O)N1CCN(Cc2cc(Cl)c(OC)cc2[O-])CC1 ZINC001232270051 1304059530 /nfs/dbraw/zinc/05/95/30/1304059530.db2.gz QZTYRVMTHPLXAL-UHFFFAOYSA-N -1 3 328.796 2.328 20 10 EECDHM COc1cc([O-])c(CN2CCC(=O)[C@H](F)C2)cc1Br ZINC001233140957 1304373163 /nfs/dbraw/zinc/37/31/63/1304373163.db2.gz ZSLJFFBXQBZDND-SNVBAGLBSA-N -1 3 332.169 2.276 20 10 EECDHM [O-]c1ccc(F)c(F)c1CN1C[C@@H](OCC2CC2)[C@H]2COC[C@H]21 ZINC001233334436 1304435391 /nfs/dbraw/zinc/43/53/91/1304435391.db2.gz GXDVOPODMIVASA-JGGQBBKZSA-N -1 3 325.355 2.296 20 10 EECDHM COCCN(CCOC)Cc1cc(F)cc(Br)c1[O-] ZINC001235299359 1305181644 /nfs/dbraw/zinc/18/16/44/1305181644.db2.gz UJPUCZCLDQZGCE-UHFFFAOYSA-N -1 3 336.201 2.389 20 10 EECDHM Cc1cc(Br)c([O-])c(CN2CCOC[C@](C)(O)C2)c1 ZINC001236662915 1305628391 /nfs/dbraw/zinc/62/83/91/1305628391.db2.gz JEMWXEVIHXVIRY-CQSZACIVSA-N -1 3 330.222 2.046 20 10 EECDHM CCN1CCN(Cc2cc(Br)c(C)cc2[O-])CC1=O ZINC001237680287 1306043416 /nfs/dbraw/zinc/04/34/16/1306043416.db2.gz BDQPPIHAWXUPSQ-UHFFFAOYSA-N -1 3 327.222 2.127 20 10 EECDHM [O-]c1cc(F)cc(F)c1CN1C[C@H]2CN(c3ncccn3)C[C@@H]2C1 ZINC001140581326 1314909628 /nfs/dbraw/zinc/90/96/28/1314909628.db2.gz VAJITWHSHFWNTP-RYUDHWBXSA-N -1 3 332.354 2.029 20 10 EECDHM Cc1cc(CN2C[C@H]3C[C@@H](C2)N3Cc2cccc(F)c2[O-])n(C)n1 ZINC001276539108 1324009344 /nfs/dbraw/zinc/00/93/44/1324009344.db2.gz NJUKBWQJRIIEMB-IYBDPMFKSA-N -1 3 330.407 2.032 20 10 EECDHM CC(=O)C(=O)CSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC001609061653 1351828190 /nfs/dbraw/zinc/82/81/90/1351828190.db2.gz PGCSZJUJPNNXGK-UHFFFAOYSA-N -1 3 330.291 2.136 20 10 EECDHM CC(=O)C(=O)CSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC001609061653 1351828192 /nfs/dbraw/zinc/82/81/92/1351828192.db2.gz PGCSZJUJPNNXGK-UHFFFAOYSA-N -1 3 330.291 2.136 20 10 EECDHM Cc1cc(N(C)C)ccc1CNC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000847500209 1338116213 /nfs/dbraw/zinc/11/62/13/1338116213.db2.gz FLOXLPWEQALHSM-UHFFFAOYSA-N -1 3 326.400 2.364 20 10 EECDHM COc1cc(Br)cc(C[N@H+](C)C[C@@H](C)C(=O)[O-])c1[O-] ZINC001610280115 1352198887 /nfs/dbraw/zinc/19/88/87/1352198887.db2.gz XDRNPBCPGSUDMD-MRVPVSSYSA-N -1 3 332.194 2.316 20 10 EECDHM COc1cc(Br)cc(C[N@@H+](C)C[C@@H](C)C(=O)[O-])c1[O-] ZINC001610280115 1352198888 /nfs/dbraw/zinc/19/88/88/1352198888.db2.gz XDRNPBCPGSUDMD-MRVPVSSYSA-N -1 3 332.194 2.316 20 10 EECDHM CC[C@@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590466861 1349342133 /nfs/dbraw/zinc/34/21/33/1349342133.db2.gz PCAGGVWMNMKHOC-IUODEOHRSA-N -1 3 344.463 2.486 20 10 EECDHM Cc1ncccc1C=CC(=O)N1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001592425802 1349629742 /nfs/dbraw/zinc/62/97/42/1349629742.db2.gz ONNPRVQGOFZRSZ-FNORWQNLSA-N -1 3 332.367 2.173 20 10 EECDHM Cc1ncccc1C=CC(=O)N1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001592425802 1349629745 /nfs/dbraw/zinc/62/97/45/1349629745.db2.gz ONNPRVQGOFZRSZ-FNORWQNLSA-N -1 3 332.367 2.173 20 10 EECDHM C[C@H]([NH2+]CCN1CCCC[C@H]1C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603662712 1350737195 /nfs/dbraw/zinc/73/71/95/1350737195.db2.gz NXBJBHLRIYCGIC-OLZOCXBDSA-N -1 3 330.436 2.097 20 10 EECDHM Cc1cc(C(=O)N2CCCO2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC001605600551 1351198085 /nfs/dbraw/zinc/19/80/85/1351198085.db2.gz PWNHLCGSSWPITJ-UHFFFAOYSA-N -1 3 338.371 2.052 20 10 EECDHM C[C@@H]1CC[C@@H](O)CN1Cc1cccc(I)c1[O-] ZINC001237776761 782764125 /nfs/dbraw/zinc/76/41/25/782764125.db2.gz LCHMAGOEBOZECC-MWLCHTKSSA-N -1 3 347.196 2.342 20 10 EECDHM Cc1nc(CN2CCN(Cc3cc(Cl)c(C)cc3[O-])CC2)no1 ZINC000824762751 788306111 /nfs/dbraw/zinc/30/61/11/788306111.db2.gz XAWVEZVKYDJNBX-UHFFFAOYSA-N -1 3 336.823 2.363 20 10 EECDHM CCN(Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1)Cc1ccccc1C ZINC000846237978 790098922 /nfs/dbraw/zinc/09/89/22/790098922.db2.gz JKKOXMMGNWNYNZ-UHFFFAOYSA-N -1 3 340.383 2.464 20 10 EECDHM COC(=O)c1ccc(C2CN(C(=O)c3cccc(O)c3[O-])C2)cc1 ZINC001148218827 792252044 /nfs/dbraw/zinc/25/20/44/792252044.db2.gz MQBCPJLMXRXLQF-UHFFFAOYSA-N -1 3 327.336 2.124 20 10 EECDHM O=C(c1cccc(O)c1[O-])N1CCC(Oc2ccc(Cl)nn2)CC1 ZINC001148218593 792252613 /nfs/dbraw/zinc/25/26/13/792252613.db2.gz GULJWCHNZMMTHL-UHFFFAOYSA-N -1 3 349.774 2.225 20 10 EECDHM CC(C)(C)c1cnn2cc(NC(=O)c3cc(O)c([O-])c(O)c3)cnc12 ZINC001148581795 792567626 /nfs/dbraw/zinc/56/76/26/792567626.db2.gz AUEMYOVZAXAGQE-UHFFFAOYSA-N -1 3 342.355 2.396 20 10 EECDHM CN1Cc2c(NC(=O)c3cc(O)c([O-])c(O)c3)cccc2NC1=O ZINC001148586500 792573285 /nfs/dbraw/zinc/57/32/85/792573285.db2.gz QAXAVZCRTWDWCT-UHFFFAOYSA-N -1 3 329.312 2.033 20 10 EECDHM COc1cnccc1[C@H](NC(=O)c1cc(O)c([O-])c(O)c1)C1CC1 ZINC001148590377 792573803 /nfs/dbraw/zinc/57/38/03/792573803.db2.gz IVTKJFUMZWULPL-OAHLLOKOSA-N -1 3 330.340 2.088 20 10 EECDHM COc1ccc(O[C@H](C)CNC(=O)c2cc(O)c([O-])c(O)c2)cc1 ZINC001148589559 792573963 /nfs/dbraw/zinc/57/39/63/792573963.db2.gz BTBOIBXLCNFKRT-SNVBAGLBSA-N -1 3 333.340 2.009 20 10 EECDHM CC(C)CN(CC(N)=O)Cc1cc(Br)cc(F)c1[O-] ZINC000715740007 795492840 /nfs/dbraw/zinc/49/28/40/795492840.db2.gz YSWSDUXRVRGKAB-UHFFFAOYSA-N -1 3 333.201 2.237 20 10 EECDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])C1CC2(C1)OCCO2 ZINC001181514078 800810471 /nfs/dbraw/zinc/81/04/71/800810471.db2.gz YYUPOTJFMNTZGE-UHFFFAOYSA-N -1 3 348.786 2.363 20 10 EECDHM COCCn1ncc2ccc(NC(=O)c3cccc(O)c3[O-])cc21 ZINC000790571876 808808066 /nfs/dbraw/zinc/80/80/66/808808066.db2.gz OCTJJDNJFOEHTE-UHFFFAOYSA-N -1 3 327.340 2.346 20 10 EECDHM O=C(CNC(=O)c1cccc(O)c1[O-])OCc1ccc(Cl)cc1 ZINC000790930098 808982631 /nfs/dbraw/zinc/98/26/31/808982631.db2.gz JNPPZVWOJWLUJR-UHFFFAOYSA-N -1 3 335.743 2.224 20 10 EECDHM C[C@@H](NCc1cnnn1C)c1cc(Br)cc(F)c1[O-] ZINC000806659808 811947284 /nfs/dbraw/zinc/94/72/84/811947284.db2.gz FYNBGXUKLXNMDL-SSDOTTSWSA-N -1 3 329.173 2.273 20 10 EECDHM C[C@H]([NH2+][C@@H]1CCC[C@@H]([S@@](C)=O)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593225822 994350552 /nfs/dbraw/zinc/35/05/52/994350552.db2.gz YPZSJVGLIQILDF-MEECLSRCSA-N -1 3 325.430 2.431 20 10 EECDHM COc1cccc(O)c1CN(C)Cc1ccc(OCC(=O)[O-])cc1 ZINC001599680243 994968783 /nfs/dbraw/zinc/96/87/83/994968783.db2.gz HWJFHBGKSSSTPE-UHFFFAOYSA-N -1 3 331.368 2.496 20 10 EECDHM C[C@H]1CCCC[C@@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000093901597 237053334 /nfs/dbraw/zinc/05/33/34/237053334.db2.gz TUGQBERBWNSAFX-GWCFXTLKSA-N -1 3 326.418 2.072 20 10 EECDHM COCCCN(Cc1c([O-])cccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000120161834 462968118 /nfs/dbraw/zinc/96/81/18/462968118.db2.gz WCQJXVCFZCHGOU-GFCCVEGCSA-N -1 3 347.864 2.071 20 10 EECDHM C[C@H]([C@H]1CCOC1)N1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277407161 463913739 /nfs/dbraw/zinc/91/37/39/463913739.db2.gz ONRICZMGAPUZRV-MNOVXSKESA-N -1 3 338.791 2.235 20 10 EECDHM Cc1cc(N2CC[C@H](N[C@@H](C)c3ccc(F)cc3[O-])C2=O)n(C)n1 ZINC000186083189 463934148 /nfs/dbraw/zinc/93/41/48/463934148.db2.gz XGDJZYCAJOVMDV-FZMZJTMJSA-N -1 3 332.379 2.029 20 10 EECDHM COc1c([O-])c(CN2CCC(c3nc(C)no3)CC2)ccc1[N+](=O)[O-] ZINC000278270132 463960095 /nfs/dbraw/zinc/96/00/95/463960095.db2.gz RNUFXAYJDLGPQZ-UHFFFAOYSA-N -1 3 348.359 2.380 20 10 EECDHM COc1c([O-])c(CNCc2nccn2C(F)F)ccc1[N+](=O)[O-] ZINC000278608495 463972652 /nfs/dbraw/zinc/97/26/52/463972652.db2.gz DMBHGMSQHVQJDJ-UHFFFAOYSA-N -1 3 328.275 2.190 20 10 EECDHM CCC[C@H]1SCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000271246758 464290761 /nfs/dbraw/zinc/29/07/61/464290761.db2.gz ILPULTYKGDFITE-CYBMUJFWSA-N -1 3 344.458 2.079 20 10 EECDHM CC[C@H]1CC[C@H](C)N1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000271865132 464396066 /nfs/dbraw/zinc/39/60/66/464396066.db2.gz YMDRLENVXJUKEP-JQWIXIFHSA-N -1 3 326.418 2.167 20 10 EECDHM COC(=O)c1cnoc1CN(Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000285754304 464683084 /nfs/dbraw/zinc/68/30/84/464683084.db2.gz VTZHMJFTTMEPGK-AWEZNQCLSA-N -1 3 346.383 2.348 20 10 EECDHM Cc1noc(C2(C)CCN(C(=O)c3ccc(C)c(O)c3[O-])CC2)n1 ZINC000371649100 465921761 /nfs/dbraw/zinc/92/17/61/465921761.db2.gz FDKFMJFNYLZDFS-UHFFFAOYSA-N -1 3 331.372 2.292 20 10 EECDHM O=C(CC1CCCC1)N1CCCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000363953616 466666756 /nfs/dbraw/zinc/66/67/56/466666756.db2.gz MWHHSIYXUSMMOG-UHFFFAOYSA-N -1 3 346.427 2.353 20 10 EECDHM C[C@H](NCC(=O)N1CCN(C)CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774145301 577385742 /nfs/dbraw/zinc/38/57/42/577385742.db2.gz XCFVBQWKRIZQJD-JTQLQIEISA-N -1 3 346.258 2.124 20 10 EECDHM Cn1cccc1C(=O)N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000768219511 577552307 /nfs/dbraw/zinc/55/23/07/577552307.db2.gz ICGHQYAITNUAOB-UHFFFAOYSA-N -1 3 333.819 2.342 20 10 EECDHM Cc1nc(C2(NCc3cc4c(cc3[O-])OC[C@@H]4O)CCCCC2)no1 ZINC000768453336 577556067 /nfs/dbraw/zinc/55/60/67/577556067.db2.gz VMGBGYRQLOAXJA-HNNXBMFYSA-N -1 3 345.399 2.459 20 10 EECDHM CCOc1ccc(CN[C@H]2CS(=O)(=O)c3ccccc32)c([O-])c1 ZINC000754891897 577815888 /nfs/dbraw/zinc/81/58/88/577815888.db2.gz LHQUGWHDFJKTAM-HNNXBMFYSA-N -1 3 333.409 2.409 20 10 EECDHM C[C@H](NCC(=O)NCC1CC1)c1cc(Br)c(F)cc1[O-] ZINC000757631049 577861497 /nfs/dbraw/zinc/86/14/97/577861497.db2.gz BARLPPYLIMCWKT-QMMMGPOBSA-N -1 3 345.212 2.471 20 10 EECDHM O=C([O-])[C@@H]1CC12CCN(Cc1ccc(N3CCOCC3)c(F)c1)CC2 ZINC000833772143 604651259 /nfs/dbraw/zinc/65/12/59/604651259.db2.gz YPYYKTWRTHOBLN-HNNXBMFYSA-N -1 3 348.418 2.349 20 10 EECDHM CC[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)c1cccc(O)c1[O-] ZINC001269687693 1184522779 /nfs/dbraw/zinc/52/27/79/1184522779.db2.gz ZBAYNRISJWILGM-MRVWCRGKSA-N -1 3 332.400 2.102 20 10 EECDHM COc1cc(Br)cc(CN2CCC[C@@H](C(=O)[O-])C2)c1O ZINC000874051023 1198775865 /nfs/dbraw/zinc/77/58/65/1198775865.db2.gz KGPVOPOMKHXANP-SECBINFHSA-N -1 3 344.205 2.460 20 10 EECDHM O=C([O-])c1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3Cc2ccc[nH]2)c([O-])c1 ZINC001276009254 1205633786 /nfs/dbraw/zinc/63/37/86/1205633786.db2.gz NBVQOFMHNKRMAK-IRXDYDNUSA-N -1 3 341.411 2.267 20 10 EECDHM O=C([O-])c1ccc(C[N@H+]2CC[C@H]3[C@@H]2CCN3Cc2ccc[nH]2)c([O-])c1 ZINC001276009254 1205633789 /nfs/dbraw/zinc/63/37/89/1205633789.db2.gz NBVQOFMHNKRMAK-IRXDYDNUSA-N -1 3 341.411 2.267 20 10 EECDHM COC(=O)CN(Cc1nncs1)Cc1cc(Cl)ccc1[O-] ZINC000929977118 1206524419 /nfs/dbraw/zinc/52/44/19/1206524419.db2.gz SCGCKDYXVUMLNA-UHFFFAOYSA-N -1 3 327.793 2.072 20 10 EECDHM [O-]c1ccc(Br)cc1CN1CCN([C@H]2CCOC2)CC1 ZINC000827120733 1250170836 /nfs/dbraw/zinc/17/08/36/1250170836.db2.gz VGGAKFDTKJKDSX-AWEZNQCLSA-N -1 3 341.249 2.061 20 10 EECDHM CC(=O)c1cc(Cl)cc(CN2CCN(CC(C)(C)O)CC2)c1[O-] ZINC000117106619 1294737793 /nfs/dbraw/zinc/73/77/93/1294737793.db2.gz BDPNHGFUKSWTKB-UHFFFAOYSA-N -1 3 340.851 2.137 20 10 EECDHM C[C@@H]1CN(Cc2c([O-])cccc2Br)CCS(=O)(=O)C1 ZINC000862347872 1295802398 /nfs/dbraw/zinc/80/23/98/1295802398.db2.gz SHDXJRRSICOPBU-SNVBAGLBSA-N -1 3 348.262 2.021 20 10 EECDHM C[C@H]1CN(Cc2ccc(I)cc2[O-])CCC1=O ZINC001232975171 1304313626 /nfs/dbraw/zinc/31/36/26/1304313626.db2.gz XHAAWUDWAPYWSQ-VIFPVBQESA-N -1 3 345.180 2.408 20 10 EECDHM CO[C@H](C)C1CN(Cc2ccc(I)cc2[O-])C1 ZINC001232977720 1304312963 /nfs/dbraw/zinc/31/29/63/1304312963.db2.gz JTZRTLQGJISFGI-SECBINFHSA-N -1 3 347.196 2.464 20 10 EECDHM COc1cc([O-])c(CN2CCN(c3cnccn3)CC2)c(Cl)c1 ZINC001236797194 1305679224 /nfs/dbraw/zinc/67/92/24/1305679224.db2.gz CWOUCDIKKQKFCN-UHFFFAOYSA-N -1 3 334.807 2.166 20 10 EECDHM O=C1NCC2(CCN(Cc3cc(Cl)c(Cl)cc3[O-])CC2)N1 ZINC001236803011 1305681481 /nfs/dbraw/zinc/68/14/81/1305681481.db2.gz LQYSGPMJHRRNTR-UHFFFAOYSA-N -1 3 330.215 2.346 20 10 EECDHM CCOC(=O)C1CN(Cc2c([O-])cc(OC)cc2Br)C1 ZINC001237072412 1305788783 /nfs/dbraw/zinc/78/87/83/1305788783.db2.gz GGALJDXJOIAZHB-UHFFFAOYSA-N -1 3 344.205 2.158 20 10 EECDHM COc1ccc(CN2C[C@@H]3C[C@@H]3C2)c([O-])c1I ZINC001248487730 1310910428 /nfs/dbraw/zinc/91/04/28/1310910428.db2.gz XBUOVSCOHLIULE-AOOOYVTPSA-N -1 3 345.180 2.457 20 10 EECDHM [O-]c1cc(F)cc(F)c1CN1C[C@@H]2CN(c3ncccn3)C[C@@H]2C1 ZINC001140581327 1314909260 /nfs/dbraw/zinc/90/92/60/1314909260.db2.gz VAJITWHSHFWNTP-TXEJJXNPSA-N -1 3 332.354 2.029 20 10 EECDHM Cn1ccnc1[C@@H](O)C1CCN(Cc2cc(F)c(F)cc2[O-])CC1 ZINC001308576287 1331599720 /nfs/dbraw/zinc/59/97/20/1331599720.db2.gz OJLDGLYALUWWNI-INIZCTEOSA-N -1 3 337.370 2.350 20 10 EECDHM C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589951270 1349075934 /nfs/dbraw/zinc/07/59/34/1349075934.db2.gz AAQHKGSWMCLSAR-SZYCXQDTSA-N -1 3 341.415 2.181 20 10 EECDHM C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@H]21)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589954674 1349078151 /nfs/dbraw/zinc/07/81/51/1349078151.db2.gz IKJSRLSNYOYMMT-OBCWZRDOSA-N -1 3 329.404 2.181 20 10 EECDHM COc1ccccc1CC[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001591648138 1349524633 /nfs/dbraw/zinc/52/46/33/1349524633.db2.gz ALSVJZQONBYHIS-LBPRGKRZSA-N -1 3 339.399 2.474 20 10 EECDHM O=C([O-])[C@@H]1C[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)Cc2ccccc21 ZINC001601848464 1350380089 /nfs/dbraw/zinc/38/00/89/1350380089.db2.gz RDELFGOOTXDVEX-NVXWUHKLSA-N -1 3 341.363 2.002 20 10 EECDHM O=C([O-])[C@@H]1C[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)Cc2ccccc21 ZINC001601848464 1350380092 /nfs/dbraw/zinc/38/00/92/1350380092.db2.gz RDELFGOOTXDVEX-NVXWUHKLSA-N -1 3 341.363 2.002 20 10 EECDHM CC[C@H]([NH2+]CC1(C2(O)CCC2)CC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604055323 1350842286 /nfs/dbraw/zinc/84/22/86/1350842286.db2.gz MGISQVWYHWDIDF-AWEZNQCLSA-N -1 3 343.431 2.308 20 10 EECDHM COc1ccc(N2CC[C@@H](NCc3ccc(C(=O)[O-])cn3)C2)cc1 ZINC001607269005 1351462401 /nfs/dbraw/zinc/46/24/01/1351462401.db2.gz BDWYTQQPERYEPW-OAHLLOKOSA-N -1 3 327.384 2.157 20 10 EECDHM CCn1nnc2c1[C@@H](COC)CN(Cc1ccc(Cl)cc1[O-])C2 ZINC001140462958 1372580505 /nfs/dbraw/zinc/58/05/05/1372580505.db2.gz PUGTZCFMDGOXQA-GFCCVEGCSA-N -1 3 336.823 2.403 20 10 EECDHM CN(C)c1ccc([C@@H](CNC(=O)CCCCC(=O)[O-])N(C)C)cc1 ZINC000908351123 785343445 /nfs/dbraw/zinc/34/34/45/785343445.db2.gz BHLBWICVUFOJOR-MRXNPFEDSA-N -1 3 335.448 2.117 20 10 EECDHM CCOCCO[C@H]1CCN(Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000157884008 790058469 /nfs/dbraw/zinc/05/84/69/790058469.db2.gz WZQFZSFXECIOFN-HNNXBMFYSA-N -1 3 325.380 2.361 20 10 EECDHM O=C(Nc1cc(-c2ccccc2)nn1CCO)c1cccc(O)c1[O-] ZINC001148213161 792244756 /nfs/dbraw/zinc/24/47/56/792244756.db2.gz YTOOSQDEHVLUDH-UHFFFAOYSA-N -1 3 339.351 2.206 20 10 EECDHM CC(C)(C)OC(=O)N1C[C@@H]2[C@H]1CCCN2C(=O)c1cccc(O)c1[O-] ZINC001148212015 792245487 /nfs/dbraw/zinc/24/54/87/792245487.db2.gz IBVISUVABGYNQK-CHWSQXEVSA-N -1 3 348.399 2.322 20 10 EECDHM O=C(c1cccc(O)c1[O-])N1Cc2cc(Br)cnc2C1 ZINC001148219372 792253623 /nfs/dbraw/zinc/25/36/23/792253623.db2.gz ZQIBKSWJEIXVNV-UHFFFAOYSA-N -1 3 335.157 2.411 20 10 EECDHM Cc1noc(-c2ccc(NC(=O)c3cc(O)c([O-])c(O)c3)cc2)n1 ZINC001148585845 792571805 /nfs/dbraw/zinc/57/18/05/792571805.db2.gz AMAUWIPKVAZGPX-UHFFFAOYSA-N -1 3 327.296 2.414 20 10 EECDHM CC1(C(N)=O)CCN(Cc2cc(Br)cc(F)c2[O-])CC1 ZINC001235069334 795797449 /nfs/dbraw/zinc/79/74/49/795797449.db2.gz ROLVHCOTFCUGIT-UHFFFAOYSA-N -1 3 345.212 2.381 20 10 EECDHM CN(CC(N)=O)C(=O)c1cccc(NCc2c([O-])cccc2Cl)c1 ZINC000790638105 808842881 /nfs/dbraw/zinc/84/28/81/808842881.db2.gz 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463932165 /nfs/dbraw/zinc/93/21/65/463932165.db2.gz MDXLNMFKQBTTFP-UHFFFAOYSA-N -1 3 338.791 2.236 20 10 EECDHM COc1c([O-])c(CN2CCS[C@@H]3COCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000278302047 463961843 /nfs/dbraw/zinc/96/18/43/463961843.db2.gz VWLNUNCHMWWXPO-WCQYABFASA-N -1 3 340.401 2.015 20 10 EECDHM CC(=O)c1cc(Cl)cc(CN(C)[C@@H](C)CN2CCOCC2)c1[O-] ZINC000279660120 464122274 /nfs/dbraw/zinc/12/22/74/464122274.db2.gz CTBDCGVTFOEETB-LBPRGKRZSA-N -1 3 340.851 2.401 20 10 EECDHM Cc1nnnn1-c1cc(NC(=O)c2ccc(C)c(O)c2[O-])ccc1F ZINC000179476848 464143241 /nfs/dbraw/zinc/14/32/41/464143241.db2.gz SFGFLNPMGYRDIF-UHFFFAOYSA-N -1 3 343.318 2.082 20 10 EECDHM Cc1cc(Cl)cc(CN2CCN(C(=O)[C@H]3CCCO3)CC2)c1[O-] ZINC000179573089 464159513 /nfs/dbraw/zinc/15/95/13/464159513.db2.gz DNQQENOOHYYRAV-OAHLLOKOSA-N -1 3 338.835 2.177 20 10 EECDHM CCCOc1ccc(CN2CC[C@H](CS(C)(=O)=O)C2)c([O-])c1 ZINC000292709255 464316202 /nfs/dbraw/zinc/31/62/02/464316202.db2.gz DCWKYCSWACEPQC-ZDUSSCGKSA-N -1 3 327.446 2.048 20 10 EECDHM CC[C@@H](C)C[C@@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000174534892 464420085 /nfs/dbraw/zinc/42/00/85/464420085.db2.gz WGSGYIIYGRAJDG-GHMZBOCLSA-N -1 3 328.434 2.318 20 10 EECDHM Cn1cc([C@@H]2CN(Cc3cc(Cl)c(F)cc3[O-])C[C@H]2CO)cn1 ZINC000294683390 464572951 /nfs/dbraw/zinc/57/29/51/464572951.db2.gz NADKOZHXKRUWSP-STQMWFEESA-N -1 3 339.798 2.126 20 10 EECDHM CN(Cc1cccc(Cl)c1[O-])C[C@H](O)CNC(=O)OC(C)(C)C ZINC000295113573 464710404 /nfs/dbraw/zinc/71/04/04/464710404.db2.gz MABGPIBFYJUWQY-GFCCVEGCSA-N -1 3 344.839 2.363 20 10 EECDHM CC(C)(C)OC(=O)NC[C@@H]1CN(Cc2cc(F)ccc2[O-])CCO1 ZINC000274973206 464761091 /nfs/dbraw/zinc/76/10/91/464761091.db2.gz WNDDEJARIUHPLR-CQSZACIVSA-N -1 3 340.395 2.257 20 10 EECDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)[C@H]1CCCO1 ZINC000366398852 465703397 /nfs/dbraw/zinc/70/33/97/465703397.db2.gz IEGSKDQAQBNDSU-GDBMZVCRSA-N -1 3 338.835 2.305 20 10 EECDHM CC(=O)c1cc(Cl)cc(CN2CCN(C[C@@H](C)O)C[C@H]2C)c1[O-] ZINC000192810649 527205905 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CCCN(Cc1ccc(OCC)cc1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000768182200 577551674 /nfs/dbraw/zinc/55/16/74/577551674.db2.gz WMLDOJLLTDYAMZ-AWEZNQCLSA-N -1 3 327.446 2.190 20 10 EECDHM [O-]c1c(Br)cccc1CN1CCC(OCCO)CC1 ZINC000769536752 577580198 /nfs/dbraw/zinc/58/01/98/577580198.db2.gz DXFNQOIAVNPHID-UHFFFAOYSA-N -1 3 330.222 2.128 20 10 EECDHM O=C1NC2(CO1)CCN(Cc1cccc(Br)c1[O-])CC2 ZINC000753587667 577790393 /nfs/dbraw/zinc/79/03/93/577790393.db2.gz PSXPBOIPUIXDFL-UHFFFAOYSA-N -1 3 341.205 2.229 20 10 EECDHM COc1cc(Cl)cc(CN2CC(=O)N(CC(F)(F)F)C2)c1[O-] ZINC000754154365 577801225 /nfs/dbraw/zinc/80/12/25/577801225.db2.gz MUHSESOZSHWUAQ-UHFFFAOYSA-N -1 3 338.713 2.218 20 10 EECDHM C[C@H](OC(=O)c1cc([O-])cs1)C(=O)c1ccc2c(c1)CC(=O)N2C ZINC000754931283 577816602 /nfs/dbraw/zinc/81/66/02/577816602.db2.gz HKZXUJBYRNQQJV-VIFPVBQESA-N -1 3 345.376 2.401 20 10 EECDHM Cc1cnn(C[C@@H](NCc2ccc(N3CCCCC3)cc2)C(=O)[O-])c1 ZINC000756384502 577843058 /nfs/dbraw/zinc/84/30/58/577843058.db2.gz AMLMUASJTUNGQS-GOSISDBHSA-N -1 3 342.443 2.425 20 10 EECDHM COC[C@](C)(CC(=O)OC)NCc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000757927510 577866571 /nfs/dbraw/zinc/86/65/71/577866571.db2.gz XLLBCTGTMFZMPB-AWEZNQCLSA-N -1 3 346.767 2.012 20 10 EECDHM CN(C[C@H]1CCCN(C)C1)c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000737515699 578261922 /nfs/dbraw/zinc/26/19/22/578261922.db2.gz UZFWPTBQKODEOW-QPBFKRLHSA-N -1 3 333.388 2.471 20 10 EECDHM CC(C)[C@H]1CCCN(Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)CC1 ZINC000737612338 578266704 /nfs/dbraw/zinc/26/67/04/578266704.db2.gz FNKNKCXPECVDNJ-LBPRGKRZSA-N -1 3 332.404 2.391 20 10 EECDHM COC(=O)c1cc2ccccc2c(CN2CC[C@](F)(C(=O)[O-])C2)c1O ZINC000831353225 601372434 /nfs/dbraw/zinc/37/24/34/601372434.db2.gz FQCPKHKXKPPLEB-GOSISDBHSA-N -1 3 347.342 2.331 20 10 EECDHM CCOC(=O)[C@H]1COCCN1Cc1c([O-])ccc2ccc(OC)cc21 ZINC001234569700 1304972700 /nfs/dbraw/zinc/97/27/00/1304972700.db2.gz QXPKVTZHFGLMRB-QGZVFWFLSA-N -1 3 345.395 2.318 20 10 EECDHM C[C@H]1CCN(Cc2c([O-])cccc2Br)CCS1(=O)=O ZINC000862347136 1295802601 /nfs/dbraw/zinc/80/26/01/1295802601.db2.gz OCNBPPZOORNSNU-JTQLQIEISA-N -1 3 348.262 2.164 20 10 EECDHM CC(C)NC(=O)N1C[C@H]2C[C@@H](C1)N(Cc1ccc(F)c(F)c1[O-])C2 ZINC001276856488 1299954274 /nfs/dbraw/zinc/95/42/74/1299954274.db2.gz ATJJLSAZYHZDAZ-AAEUAGOBSA-N -1 3 339.386 2.295 20 10 EECDHM O=C1c2cccc([O-])c2C(=O)c2c(O[C@@H]3COC[C@H]3F)cccc21 ZINC001226379788 1301387214 /nfs/dbraw/zinc/38/72/14/1301387214.db2.gz ISWTZIOKEVZLLS-BXUZGUMPSA-N -1 3 328.295 2.283 20 10 EECDHM COCCN(C)C(=O)[C@@]12C[C@@H]1CCN2Cc1cc(Cl)ccc1[O-] ZINC001277457428 1303227461 /nfs/dbraw/zinc/22/74/61/1303227461.db2.gz HJQGZPACULVFQR-SUMWQHHRSA-N -1 3 338.835 2.115 20 10 EECDHM O=C(NC1CCN(Cc2ccc(F)c(F)c2[O-])CC1)N1CCCC1 ZINC001233079905 1304354945 /nfs/dbraw/zinc/35/49/45/1304354945.db2.gz NCHQRMVMHZUDPE-UHFFFAOYSA-N -1 3 339.386 2.440 20 10 EECDHM COC(=O)C[C@H]1COCCN1Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233454583 1304470436 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CN(C)C(=O)CCC(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001143057315 1315849901 /nfs/dbraw/zinc/84/99/01/1315849901.db2.gz WMMQCKGKDOIHFG-UHFFFAOYSA-N -1 3 335.791 2.078 20 10 EECDHM C[C@@H]([NH2+]CCNC(=O)c1ccccc1F)c1cc(C(=O)[O-])ccc1[O-] ZINC001604342979 1350920300 /nfs/dbraw/zinc/92/03/00/1350920300.db2.gz OJIYTZUTGQLAER-LLVKDONJSA-N -1 3 346.358 2.310 20 10 EECDHM COCCN(Cc1cc(Cl)ccc1[O-])C[C@H](O)C(F)(F)F ZINC000848921416 1338807227 /nfs/dbraw/zinc/80/72/27/1338807227.db2.gz ARLZNUAJQREGHF-LBPRGKRZSA-N -1 3 327.730 2.417 20 10 EECDHM COc1ccc(O)c([C@@H](C)Nc2ccc(-c3nnn[n-]3)c(C)n2)c1 ZINC001591619179 1349517464 /nfs/dbraw/zinc/51/74/64/1349517464.db2.gz SPJJMZLHWDDVMO-SNVBAGLBSA-N -1 3 326.360 2.457 20 10 EECDHM COc1ccc(O)c([C@@H](C)Nc2ccc(-c3nn[n-]n3)c(C)n2)c1 ZINC001591619179 1349517468 /nfs/dbraw/zinc/51/74/68/1349517468.db2.gz SPJJMZLHWDDVMO-SNVBAGLBSA-N -1 3 326.360 2.457 20 10 EECDHM CC[C@@H]([NH2+]CC1CCC(O)CC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604056831 1350841809 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20 10 EECDHM CCn1nc(C)c(CNCc2cc(Br)ccc2[O-])n1 ZINC000824376207 788151698 /nfs/dbraw/zinc/15/16/98/788151698.db2.gz CWDHLEKVBPDLLF-UHFFFAOYSA-N -1 3 325.210 2.364 20 10 EECDHM [O-]c1cc(Br)ccc1CN1CCSC[C@@H]1CCO ZINC000824920729 788357163 /nfs/dbraw/zinc/35/71/63/788357163.db2.gz WGBAONGHEAWFNI-LBPRGKRZSA-N -1 3 332.263 2.455 20 10 EECDHM C[C@H]1CCC[C@H](CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000055488557 789156266 /nfs/dbraw/zinc/15/62/66/789156266.db2.gz HCOATJHGSOCXNO-RYUDHWBXSA-N -1 3 340.445 2.320 20 10 EECDHM O=C(c1cc(O)c([O-])c(O)c1)N1CCC(COc2cccnc2)CC1 ZINC001148583239 792568286 /nfs/dbraw/zinc/56/82/86/792568286.db2.gz VCMHCBPQWKEAJG-UHFFFAOYSA-N -1 3 344.367 2.130 20 10 EECDHM C[C@H](NC(=O)c1cccc(O)c1[O-])c1ccc2c(c1)CC(=O)N2C ZINC000790647680 808864410 /nfs/dbraw/zinc/86/44/10/808864410.db2.gz YEJUBFIAJJTWAO-JTQLQIEISA-N -1 3 326.352 2.108 20 10 EECDHM CC(C)NC(=O)OC[C@@H]1CCCCN1C(=O)c1cccc(O)c1[O-] ZINC000804930258 811091262 /nfs/dbraw/zinc/09/12/62/811091262.db2.gz 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C[C@H]1CCS(=O)(=O)CCN1Cc1cc(Br)ccc1[O-] ZINC000192058301 533679879 /nfs/dbraw/zinc/67/98/79/533679879.db2.gz YYGWWBZVAKQLSF-JTQLQIEISA-N -1 3 348.262 2.164 20 10 EECDHM CC(C)CC[C@@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000055184799 463292563 /nfs/dbraw/zinc/29/25/63/463292563.db2.gz MGUCQNOFJKFTDP-LLVKDONJSA-N -1 3 328.434 2.318 20 10 EECDHM Cc1ccc(C(=O)N2CCC[C@H]2CN2C[C@@H](C)O[C@@H](C)C2)c([O-])c1O ZINC000177676317 463763658 /nfs/dbraw/zinc/76/36/58/463763658.db2.gz LRRUECFDSARTAB-ZNMIVQPWSA-N -1 3 348.443 2.120 20 10 EECDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1CCCn1cccn1 ZINC000277268943 463907315 /nfs/dbraw/zinc/90/73/15/463907315.db2.gz IGHPPZPPZHLRJU-UHFFFAOYSA-N -1 3 348.790 2.097 20 10 EECDHM COc1c([O-])c(CNc2ccc(N(C)CCO)cc2)ccc1[N+](=O)[O-] ZINC000278852472 463999707 /nfs/dbraw/zinc/99/97/07/463999707.db2.gz LDLOUAWASLTOIJ-UHFFFAOYSA-N -1 3 347.371 2.350 20 10 EECDHM C[C@@H](N[C@@H]1CCN(CC(F)(F)F)C1=O)c1ccc(F)c(F)c1[O-] ZINC000187780696 464161816 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CCCOc1ccc(CN2CCS(=O)(=O)C[C@@H](C)C2)c([O-])c1 ZINC000192067281 528663327 /nfs/dbraw/zinc/66/33/27/528663327.db2.gz LOGLEIBUIWVBDB-ZDUSSCGKSA-N -1 3 327.446 2.048 20 10 EECDHM COC(=O)c1cccn2cc(COC(=O)c3cc([O-])cs3)nc12 ZINC000732354653 577174755 /nfs/dbraw/zinc/17/47/55/577174755.db2.gz PLXKQJUKBWUMEL-UHFFFAOYSA-N -1 3 332.337 2.245 20 10 EECDHM CCNS(=O)(=O)CCN[C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774241964 577391158 /nfs/dbraw/zinc/39/11/58/577391158.db2.gz ZPULDDUMQQFARV-QMMMGPOBSA-N -1 3 341.260 2.289 20 10 EECDHM COCCO[C@H]1C[C@H](CO)CN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000775201173 577432607 /nfs/dbraw/zinc/43/26/07/577432607.db2.gz CHAHHVLSQBIMLA-RYUDHWBXSA-N -1 3 347.814 2.031 20 10 EECDHM O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)c1cc([O-])cs1 ZINC000760910601 577671936 /nfs/dbraw/zinc/67/19/36/577671936.db2.gz HZXJCJKOYBRNDG-MRXNPFEDSA-N -1 3 346.452 2.475 20 10 EECDHM CCOC(=O)N[C@H](CNC(=O)c1ccc(C)c(O)c1[O-])CC(C)C ZINC000751532659 577755036 /nfs/dbraw/zinc/75/50/36/577755036.db2.gz 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EECDHM COc1cccc(O)c1CN1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000877775767 1200091126 /nfs/dbraw/zinc/09/11/26/1200091126.db2.gz PHQOCWYOSDIIAC-AWEZNQCLSA-N -1 3 332.322 2.044 20 10 EECDHM Cc1cc(N2CC[C@H](N[C@@H](C)c3c([O-])cccc3F)C2=O)n(C)n1 ZINC000886550043 1202521399 /nfs/dbraw/zinc/52/13/99/1202521399.db2.gz RLRXZKREFPWMHU-AAEUAGOBSA-N -1 3 332.379 2.029 20 10 EECDHM [O-]c1c(F)ccc(F)c1CN1CCCC2(CN(Cc3cn[nH]c3)C2)C1 ZINC001275363294 1205322773 /nfs/dbraw/zinc/32/27/73/1205322773.db2.gz ZVWACTJYXTZLQQ-UHFFFAOYSA-N -1 3 348.397 2.492 20 10 EECDHM COC(=O)/C=C(\C)CN(CC(=O)OC)Cc1cc(Cl)ccc1[O-] ZINC000929975360 1206524062 /nfs/dbraw/zinc/52/40/62/1206524062.db2.gz GFJVOIACBXBNCF-IZZDOVSWSA-N -1 3 341.791 2.140 20 10 EECDHM Cc1cc(Br)c([O-])c(CN2CCCN(C=O)CC2)c1 ZINC000827871901 1248876804 /nfs/dbraw/zinc/87/68/04/1248876804.db2.gz LRBBVBAQYIDPGD-UHFFFAOYSA-N -1 3 327.222 2.127 20 10 EECDHM CON(C)C(=O)c1cc(F)ccc1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000803717245 1241498044 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C[C@H](CNC(=O)c1cc([O-])cs1)N1CCN(c2ccccc2)CC1 ZINC000731870215 577129018 /nfs/dbraw/zinc/12/90/18/577129018.db2.gz VDKPSQXHVTURGR-CQSZACIVSA-N -1 3 345.468 2.394 20 10 EECDHM CC(=O)Nc1ccc(NC(=O)COC(=O)c2cc([O-])cs2)cc1 ZINC000732353741 577174785 /nfs/dbraw/zinc/17/47/85/577174785.db2.gz UEPNDIUJFNGAOW-UHFFFAOYSA-N -1 3 334.353 2.208 20 10 EECDHM [O-]c1c(F)cc(Cl)cc1CN1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000775676182 577442502 /nfs/dbraw/zinc/44/25/02/577442502.db2.gz NVYVIFVXAZKPKZ-HUUCEWRRSA-N -1 3 328.815 2.216 20 10 EECDHM CN(Cc1nccn1C(F)F)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768441283 577555681 /nfs/dbraw/zinc/55/56/81/577555681.db2.gz IXAARIGNIZQYAQ-GFCCVEGCSA-N -1 3 325.315 2.042 20 10 EECDHM CON(C)C(=O)[C@H](CCSC)N[C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756761796 577849889 /nfs/dbraw/zinc/84/98/89/577849889.db2.gz MRZRLVZEKTYVAF-ZANVPECISA-N -1 3 348.415 2.463 20 10 EECDHM CN(Cc1ccc(F)cc1-c1nnn[n-]1)c1ccc2c(c1)OCO2 ZINC000825966220 607927262 /nfs/dbraw/zinc/92/72/62/607927262.db2.gz 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CCOC(=O)[C@@H]1CCN(Cc2ccc(Cl)cc2[O-])CCC1=O ZINC001140465517 1314892675 /nfs/dbraw/zinc/89/26/75/1314892675.db2.gz OYXHFTDUDZDVLA-CYBMUJFWSA-N -1 3 325.792 2.390 20 10 EECDHM COC(=O)[C@H]1COCCC12CN(Cc1ccc(Cl)cc1[O-])C2 ZINC001140464864 1314893021 /nfs/dbraw/zinc/89/30/21/1314893021.db2.gz DAJYLIOLGPNLMK-CYBMUJFWSA-N -1 3 325.792 2.057 20 10 EECDHM NC(=O)c1cncc(NCc2cc(Cl)c3cccnc3c2[O-])n1 ZINC001157724658 1318821329 /nfs/dbraw/zinc/82/13/29/1318821329.db2.gz RKOUIIBQAWNBCS-UHFFFAOYSA-N -1 3 329.747 2.095 20 10 EECDHM CCn1nnc2c1CCN(Cc1cc(Cl)ccc1[O-])[C@H]2COC ZINC001203656317 1321933785 /nfs/dbraw/zinc/93/37/85/1321933785.db2.gz MXLOOPCXYUSLQJ-AWEZNQCLSA-N -1 3 336.823 2.403 20 10 EECDHM CCOC[C@@H]1CN(Cc2cc(Cl)ccc2[O-])Cc2nnn(C)c21 ZINC001203657404 1321933967 /nfs/dbraw/zinc/93/39/67/1321933967.db2.gz DPSSFVGUPRWEHO-LBPRGKRZSA-N -1 3 336.823 2.310 20 10 EECDHM Cc1cc(=O)[n-]c(NCc2ccc(N3CCC(CO)CC3)cc2)n1 ZINC001337791561 1336737477 /nfs/dbraw/zinc/73/74/77/1336737477.db2.gz 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464084697 /nfs/dbraw/zinc/08/46/97/464084697.db2.gz RZWWVHMKMUOJOY-UHFFFAOYSA-N -1 3 327.384 2.413 20 10 EECDHM COc1c([O-])c(CN2C[C@H](O)Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000279386475 464095334 /nfs/dbraw/zinc/09/53/34/464095334.db2.gz JSOJCIGRPUAIJJ-CYBMUJFWSA-N -1 3 330.340 2.233 20 10 EECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H](C3CC3)C2)c1 ZINC000290781400 464131511 /nfs/dbraw/zinc/13/15/11/464131511.db2.gz CXOVRGUREMGPDI-GFCCVEGCSA-N -1 3 338.429 2.026 20 10 EECDHM Cc1ccc(C(=O)Nc2cc([C@H]3CCCOC3)nn2C)c([O-])c1O ZINC000279967885 464174991 /nfs/dbraw/zinc/17/49/91/464174991.db2.gz YLFWWAZDTGBFBI-NSHDSACASA-N -1 3 331.372 2.286 20 10 EECDHM Cc1ccc(C(=O)NC[C@H](CO)Cc2ccc(F)cc2)c([O-])c1O ZINC000272759632 464687517 /nfs/dbraw/zinc/68/75/17/464687517.db2.gz PZLZBADLKJMSQS-CYBMUJFWSA-N -1 3 333.359 2.126 20 10 EECDHM COc1c([O-])c(CN(C)[C@@H](CO)c2ccccc2)ccc1[N+](=O)[O-] ZINC000295078477 464698611 /nfs/dbraw/zinc/69/86/11/464698611.db2.gz QAHOHQSSTJRYSK-HNNXBMFYSA-N -1 3 332.356 2.474 20 10 EECDHM C[C@H](N[C@@H](CO)c1cnn(C)c1)c1cc(Br)ccc1[O-] ZINC000273469448 464718140 /nfs/dbraw/zinc/71/81/40/464718140.db2.gz JLBPHDFPLDVMMK-ZANVPECISA-N -1 3 340.221 2.272 20 10 EECDHM CC(C)(C)OC(=O)N[C@@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000274991283 464761104 /nfs/dbraw/zinc/76/11/04/464761104.db2.gz MURGHADEYXDMAW-LLVKDONJSA-N -1 3 336.388 2.227 20 10 EECDHM COC(=O)[C@H]1C[C@H](O)CN1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000276447642 464936274 /nfs/dbraw/zinc/93/62/74/464936274.db2.gz BISCZGRIMYBSRR-DLBZAZTESA-N -1 3 327.380 2.167 20 10 EECDHM Cc1ccc(C(=O)N2C[C@H](CN(C)C)Oc3ccccc32)c([O-])c1O ZINC000368007439 466566106 /nfs/dbraw/zinc/56/61/06/466566106.db2.gz PYMFDUQOFKZAGQ-ZDUSSCGKSA-N -1 3 342.395 2.376 20 10 EECDHM O=S1(=O)CCCN1[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000363754862 466597490 /nfs/dbraw/zinc/59/74/90/466597490.db2.gz VCYWHQMNMBOOGA-CQSZACIVSA-N -1 3 344.864 2.046 20 10 EECDHM COc1ccc(N2CCN([C@H](C)c3nc(C)cc(=O)[n-]3)CC2)cc1 ZINC000192527085 534016777 /nfs/dbraw/zinc/01/67/77/534016777.db2.gz SFHHISXPCMRWKI-CQSZACIVSA-N -1 3 328.416 2.382 20 10 EECDHM O=C(COC(=O)c1cc([O-])cs1)NCCc1c(F)cccc1F ZINC000732353226 577174495 /nfs/dbraw/zinc/17/44/95/577174495.db2.gz OKEWKVPTGZGTHH-UHFFFAOYSA-N -1 3 341.335 2.248 20 10 EECDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1cc([O-])cs1 ZINC000732354516 577174740 /nfs/dbraw/zinc/17/47/40/577174740.db2.gz ONBTWUNLTYNCBR-UHFFFAOYSA-N -1 3 336.325 2.466 20 10 EECDHM COc1c([O-])c(CNc2ccc3c(c2)oc(=O)n3C)ccc1[N+](=O)[O-] ZINC000775048218 577427803 /nfs/dbraw/zinc/42/78/03/577427803.db2.gz IAIQZHXJDGHROY-UHFFFAOYSA-N -1 3 345.311 2.366 20 10 EECDHM CCOC(=O)N1CCC[C@H]([C@@H](C)NC(=O)c2cc([O-])cs2)C1 ZINC000777209714 577475032 /nfs/dbraw/zinc/47/50/32/577475032.db2.gz SCDFVCMYOZQPHQ-MNOVXSKESA-N -1 3 326.418 2.441 20 10 EECDHM CCN(CC(=O)OC)Cc1cc(Br)cc(OC)c1[O-] ZINC000769315376 577574889 /nfs/dbraw/zinc/57/48/89/577574889.db2.gz ANNCMIGBFAAQBO-UHFFFAOYSA-N -1 3 332.194 2.158 20 10 EECDHM C[C@H](N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(C)(C)C ZINC000769667632 577582084 /nfs/dbraw/zinc/58/20/84/577582084.db2.gz QFGNGZAKWPJYBR-JTQLQIEISA-N -1 3 328.434 2.270 20 10 EECDHM O=S(=O)([N-]Cc1ccccc1O)c1ccc(Br)cn1 ZINC000751150410 577748635 /nfs/dbraw/zinc/74/86/35/577748635.db2.gz FGRFGBKOCNAHJB-UHFFFAOYSA-N -1 3 343.202 2.028 20 10 EECDHM Cc1ncc(S(=O)(=O)[N-]Cc2ccc(N(C)C)cc2C)s1 ZINC000754805276 577813725 /nfs/dbraw/zinc/81/37/25/577813725.db2.gz PAABTLLBPWNQHI-UHFFFAOYSA-N -1 3 325.459 2.304 20 10 EECDHM C[C@H]1C[C@@H](NCc2cc(Cl)ccc2[O-])C(=O)N1c1cnn(C)c1 ZINC000742390477 577872241 /nfs/dbraw/zinc/87/22/41/577872241.db2.gz ICXBVQQWRIWKRP-IINYFYTJSA-N -1 3 334.807 2.063 20 10 EECDHM Cc1cc(N(C)C)ccc1CNC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000822206161 606512542 /nfs/dbraw/zinc/51/25/42/606512542.db2.gz WPZROHLTHVNHIG-UHFFFAOYSA-N -1 3 342.428 2.233 20 10 EECDHM Cc1cc(N(C)C)ccc1CNC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000822206161 606512545 /nfs/dbraw/zinc/51/25/45/606512545.db2.gz WPZROHLTHVNHIG-UHFFFAOYSA-N -1 3 342.428 2.233 20 10 EECDHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2NCc1ccccc1O ZINC000826305473 608376156 /nfs/dbraw/zinc/37/61/56/608376156.db2.gz XVVCAQFIYFOPFR-UHFFFAOYSA-N -1 3 332.367 2.463 20 10 EECDHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2NCc1ccccc1O ZINC000826305473 608376158 /nfs/dbraw/zinc/37/61/58/608376158.db2.gz XVVCAQFIYFOPFR-UHFFFAOYSA-N -1 3 332.367 2.463 20 10 EECDHM Cc1cc(CN2CC3(C2)CN(Cc2cc(Cl)ccc2[O-])C3)n(C)n1 ZINC001275276292 1205295620 /nfs/dbraw/zinc/29/56/20/1205295620.db2.gz HTKDFORLKMTPQX-UHFFFAOYSA-N -1 3 346.862 2.405 20 10 EECDHM CC(C)NC(=O)N1CCC2(CN(Cc3cc(F)c(F)cc3[O-])C2)C1 ZINC001275772674 1205519905 /nfs/dbraw/zinc/51/99/05/1205519905.db2.gz BIMPPNZWZUTHOO-UHFFFAOYSA-N -1 3 339.386 2.296 20 10 EECDHM CC(=O)OC1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000093453854 1214878826 /nfs/dbraw/zinc/87/88/26/1214878826.db2.gz YXRXURXEHGCNND-UHFFFAOYSA-N -1 3 328.752 2.481 20 10 EECDHM O=S(=O)(CC1CC1)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001188990844 1280093726 /nfs/dbraw/zinc/09/37/26/1280093726.db2.gz YBQOSYDFADLFSP-UHFFFAOYSA-N -1 3 326.805 2.423 20 10 EECDHM [O-]c1c(O)cc(-c2nc(-c3ccc(-n4cccn4)nc3)no2)cc1O ZINC001215328911 1296826129 /nfs/dbraw/zinc/82/61/29/1296826129.db2.gz VIIASADQYKINHC-UHFFFAOYSA-N -1 3 337.295 2.101 20 10 EECDHM O=C([O-])c1ccc(C[NH+]2CCC(C(=O)N3CCCCC3)CC2)c([O-])c1 ZINC001231452320 1303802037 /nfs/dbraw/zinc/80/20/37/1303802037.db2.gz LDEVQJOVWPXYMO-UHFFFAOYSA-N -1 3 346.427 2.315 20 10 EECDHM C[C@H]1C[C@@H](O)CCN1Cc1ccc(I)cc1[O-] ZINC001232977448 1304313895 /nfs/dbraw/zinc/31/38/95/1304313895.db2.gz BWGJBUIQRIWKDC-CABZTGNLSA-N -1 3 347.196 2.342 20 10 EECDHM COc1c(OC2COC2)c(C)cc2c1C(=O)c1c([O-])cccc1C2=O ZINC001234126663 1304753401 /nfs/dbraw/zinc/75/34/01/1304753401.db2.gz KGVBHFZMQDFAQF-UHFFFAOYSA-N -1 3 340.331 2.262 20 10 EECDHM [O-]c1c(I)cccc1CN(C1CC1)C1COC1 ZINC001237781367 1306088465 /nfs/dbraw/zinc/08/84/65/1306088465.db2.gz VPUFDZFPEYRRCY-UHFFFAOYSA-N -1 3 345.180 2.360 20 10 EECDHM CC(=O)N1CCN(Cc2c([O-])cccc2Br)C[C@@H]1C ZINC001140103310 1314811250 /nfs/dbraw/zinc/81/12/50/1314811250.db2.gz JBTGKYZRZAYCBN-JTQLQIEISA-N -1 3 327.222 2.207 20 10 EECDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1cc2n(n1)CCO2 ZINC001153888673 1316908852 /nfs/dbraw/zinc/90/88/52/1316908852.db2.gz RKUMMZNXELVJRD-UHFFFAOYSA-N -1 3 344.758 2.113 20 10 EECDHM COc1ccc(O)c(CNc2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)c1 ZINC001609358279 1351945990 /nfs/dbraw/zinc/94/59/90/1351945990.db2.gz MDQKWEVTAMSVMN-UHFFFAOYSA-N -1 3 342.315 2.101 20 10 EECDHM C[C@@H]([NH2+]C1CCN(C[C@@H]2CCCO2)CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609780693 1352083924 /nfs/dbraw/zinc/08/39/24/1352083924.db2.gz UYZBWYIOWNJANT-CJNGLKHVSA-N -1 3 348.443 2.384 20 10 EECDHM Cc1cc(=O)[n-]c(NCc2cc(F)c(N3CCOCC3)c(F)c2)n1 ZINC001337891524 1336749619 /nfs/dbraw/zinc/74/96/19/1336749619.db2.gz CVBOATCGKZFDMV-UHFFFAOYSA-N -1 3 336.342 2.218 20 10 EECDHM COC(=O)c1cc2ccccc2c(C[N@@H+]2CC[C@@H](C(=O)[O-])C2)c1[O-] ZINC001610208089 1352186256 /nfs/dbraw/zinc/18/62/56/1352186256.db2.gz PCZNNCFFVZGTTQ-GFCCVEGCSA-N -1 3 329.352 2.239 20 10 EECDHM COC(=O)c1cc2ccccc2c(C[N@H+]2CC[C@@H](C(=O)[O-])C2)c1[O-] ZINC001610208089 1352186258 /nfs/dbraw/zinc/18/62/58/1352186258.db2.gz PCZNNCFFVZGTTQ-GFCCVEGCSA-N -1 3 329.352 2.239 20 10 EECDHM CC(=Cc1cccnc1)C(=O)N1CCCc2nc(-c3nnn[n-]3)ccc21 ZINC001588771973 1348933931 /nfs/dbraw/zinc/93/39/31/1348933931.db2.gz GRYHEHFYCBJKCB-ZRDIBKRKSA-N -1 3 347.382 2.039 20 10 EECDHM C[C@H](NC(=O)c1cc(-c2nnn[n-]2)cs1)c1ccc(N(C)C)cc1 ZINC001589943638 1349071050 /nfs/dbraw/zinc/07/10/50/1349071050.db2.gz LRYOBHVQNMMMIG-JTQLQIEISA-N -1 3 342.428 2.485 20 10 EECDHM C[C@H](NC(=O)c1cc(-c2nn[n-]n2)cs1)c1ccc(N(C)C)cc1 ZINC001589943638 1349071055 /nfs/dbraw/zinc/07/10/55/1349071055.db2.gz LRYOBHVQNMMMIG-JTQLQIEISA-N -1 3 342.428 2.485 20 10 EECDHM C[C@H]([NH2+]C[C@@H](c1ccco1)N(C)C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589978988 1349091566 /nfs/dbraw/zinc/09/15/66/1349091566.db2.gz UFGIITNUUBUEJF-FZMZJTMJSA-N -1 3 342.403 2.119 20 10 EECDHM CC[C@@H]([NH2+]C[C@H]1CCCN1CC)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590466641 1349341763 /nfs/dbraw/zinc/34/17/63/1349341763.db2.gz LALBKUPEXVKTFS-IUODEOHRSA-N -1 3 330.436 2.097 20 10 EECDHM Cc1ncc(C=CC(=O)N2CCc3c2cccc3-c2nnn[n-]2)s1 ZINC001592408275 1349628078 /nfs/dbraw/zinc/62/80/78/1349628078.db2.gz NMCKVJLNHFSTAY-AATRIKPKSA-N -1 3 338.396 2.234 20 10 EECDHM Cc1ncc(C=CC(=O)N2CCc3c2cccc3-c2nn[n-]n2)s1 ZINC001592408275 1349628083 /nfs/dbraw/zinc/62/80/83/1349628083.db2.gz NMCKVJLNHFSTAY-AATRIKPKSA-N -1 3 338.396 2.234 20 10 EECDHM Cc1cc(N(C)C)ccc1CNC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001605683437 1351215286 /nfs/dbraw/zinc/21/52/86/1351215286.db2.gz HFYVEVTWYTUTHA-UHFFFAOYSA-N -1 3 342.428 2.233 20 10 EECDHM [O-]c1cccc(Br)c1CN1CCN(c2ncccn2)CC1 ZINC000862211039 1369523679 /nfs/dbraw/zinc/52/36/79/1369523679.db2.gz BLGNKUUJUBEISO-UHFFFAOYSA-N -1 3 349.232 2.267 20 10 EECDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@H](OC)C1CC1 ZINC000822747424 787365462 /nfs/dbraw/zinc/36/54/62/787365462.db2.gz YDQBNJMMHSMXFW-HNNXBMFYSA-N -1 3 327.808 2.446 20 10 EECDHM CN(Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1)[C@@H]1CCc2ccccc21 ZINC000846234256 790097948 /nfs/dbraw/zinc/09/79/48/790097948.db2.gz LODVPTQXBRHEAN-OAHLLOKOSA-N -1 3 338.367 2.252 20 10 EECDHM COc1nn(C)cc1C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001147024981 791650061 /nfs/dbraw/zinc/65/00/61/791650061.db2.gz UUEFSFRYJLWAHB-UHFFFAOYSA-N -1 3 346.774 2.266 20 10 EECDHM O=C(CCC1OCCO1)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001182731566 801329393 /nfs/dbraw/zinc/32/93/93/801329393.db2.gz AYWDLTIYOBPESA-UHFFFAOYSA-N -1 3 336.775 2.363 20 10 EECDHM O=C(NCCNc1ccc(C(F)(F)F)cn1)c1cccc(O)c1[O-] ZINC000790528367 808784374 /nfs/dbraw/zinc/78/43/74/808784374.db2.gz SRNOMSFLJOMPLK-UHFFFAOYSA-N -1 3 341.289 2.354 20 10 EECDHM O=C(c1cccc(O)c1[O-])N1CCO[C@@H](COc2ccccc2)C1 ZINC000791148522 809080421 /nfs/dbraw/zinc/08/04/21/809080421.db2.gz HZUYCMLAEAMPLR-CQSZACIVSA-N -1 3 329.352 2.018 20 10 EECDHM CC[N@H+](CCC(=O)[O-])Cc1cc(Br)cc(OC)c1[O-] ZINC001596314677 983744562 /nfs/dbraw/zinc/74/45/62/983744562.db2.gz AHKPICLTNHBPKV-UHFFFAOYSA-N -1 3 332.194 2.460 20 10 EECDHM CC[N@@H+](CCC(=O)[O-])Cc1cc(Br)cc(OC)c1[O-] ZINC001596314677 983744566 /nfs/dbraw/zinc/74/45/66/983744566.db2.gz AHKPICLTNHBPKV-UHFFFAOYSA-N -1 3 332.194 2.460 20 10 EECDHM CC(C)[C@H](C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-])N1CCN(C)CC1 ZINC001593241276 994437242 /nfs/dbraw/zinc/43/72/42/994437242.db2.gz ZBALFCIXOYISAB-YOEHRIQHSA-N -1 3 349.475 2.013 20 10 EECDHM C[C@@H]([NH2+]C[C@@H](O)COc1cccc(F)c1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593245772 994440401 /nfs/dbraw/zinc/44/04/01/994440401.db2.gz BVONKEXCYPLOFG-BXUZGUMPSA-N -1 3 349.358 2.320 20 10 EECDHM COC[C@@]1(C)CN(Cc2c(O)c(C(=O)[O-])cc3ccccc32)CCO1 ZINC001599194480 997190165 /nfs/dbraw/zinc/19/01/65/997190165.db2.gz HCAZRWOCNDAMQT-LJQANCHMSA-N -1 3 345.395 2.481 20 10 EECDHM COC[C@]1(C)CN(Cc2c(O)c(C(=O)[O-])cc3ccccc32)CCO1 ZINC001599194477 997190233 /nfs/dbraw/zinc/19/02/33/997190233.db2.gz HCAZRWOCNDAMQT-IBGZPJMESA-N -1 3 345.395 2.481 20 10 EECDHM COc1ccc(CN[C@@H](C)c2cc(C(=O)[O-])ccc2O)c(OC)n1 ZINC001599571370 998370317 /nfs/dbraw/zinc/37/03/17/998370317.db2.gz RGZQHUDQOIIBGV-JTQLQIEISA-N -1 3 332.356 2.353 20 10 EECDHM COC(=O)CN(CC(=O)OC)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000271110115 464281516 /nfs/dbraw/zinc/28/15/16/464281516.db2.gz ARWLRHATWCTHAY-UHFFFAOYSA-N -1 3 343.379 2.207 20 10 EECDHM Cc1ccc(C(=O)N2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)c([O-])c1O ZINC000177676330 463764164 /nfs/dbraw/zinc/76/41/64/463764164.db2.gz LRRUECFDSARTAB-RBSFLKMASA-N -1 3 348.443 2.120 20 10 EECDHM COCCN1CN(Cc2cc(-c3ccccc3)ccc2[O-])CC1=O ZINC000283169503 463789614 /nfs/dbraw/zinc/78/96/14/463789614.db2.gz YWANLYUOFZJGOB-UHFFFAOYSA-N -1 3 326.396 2.307 20 10 EECDHM C[C@@H]1C[C@@H](NC(=O)c2cccc(O)c2[O-])C(=O)N1c1ccccc1 ZINC000185747671 463872811 /nfs/dbraw/zinc/87/28/11/463872811.db2.gz INTVMNPIYWGMNX-BXUZGUMPSA-N -1 3 326.352 2.022 20 10 EECDHM Cc1ccc(C(=O)N[C@H](C)C2(N3CCOCC3)CCCC2)c([O-])c1O ZINC000179519551 464151926 /nfs/dbraw/zinc/15/19/26/464151926.db2.gz SFJWOUOAZQUHEI-CQSZACIVSA-N -1 3 348.443 2.170 20 10 EECDHM COc1cccc(N2CC[C@@H](NC(=O)c3cccc(O)c3[O-])C2)c1 ZINC000280372983 464199434 /nfs/dbraw/zinc/19/94/34/464199434.db2.gz CVSVKYFFDHQTCK-GFCCVEGCSA-N -1 3 328.368 2.115 20 10 EECDHM Cc1ccc(OCC(=O)N2CCN(Cc3ccccc3[O-])CC2)cc1 ZINC000271355944 464293735 /nfs/dbraw/zinc/29/37/35/464293735.db2.gz MEGYVMUMUJOQKA-UHFFFAOYSA-N -1 3 340.423 2.424 20 10 EECDHM O=C(NC[C@H]1CCN(c2ccc(F)cc2)C1)c1cccc(O)c1[O-] ZINC000189237812 464461236 /nfs/dbraw/zinc/46/12/36/464461236.db2.gz MHBINOUEZCWITP-GFCCVEGCSA-N -1 3 330.359 2.493 20 10 EECDHM COC(=O)[C@@H]1CN(Cc2cc(Br)ccc2[O-])C[C@H]1C ZINC000370482008 466895259 /nfs/dbraw/zinc/89/52/59/466895259.db2.gz BAAGCDFCECAKQC-BXKDBHETSA-N -1 3 328.206 2.396 20 10 EECDHM CCn1cc(S(=O)(=O)[N-][C@H](C)c2ccc(N(C)C)cc2)nc1C ZINC000773090304 577315151 /nfs/dbraw/zinc/31/51/51/577315151.db2.gz XAXHUWKJPPJSRC-GFCCVEGCSA-N -1 3 336.461 2.317 20 10 EECDHM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2F)cc1F ZINC000773250280 577327361 /nfs/dbraw/zinc/32/73/61/577327361.db2.gz BCPLFABSWIKXFX-UHFFFAOYSA-N -1 3 343.307 2.258 20 10 EECDHM COC(=O)C[C@@]1(NCc2cc(Cl)cc(C(C)=O)c2[O-])CCOC1 ZINC000767034122 577529328 /nfs/dbraw/zinc/52/93/28/577529328.db2.gz WDVSTZICHXWGJJ-INIZCTEOSA-N -1 3 341.791 2.060 20 10 EECDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@@H]1CCCOC1 ZINC000768541789 577558203 /nfs/dbraw/zinc/55/82/03/577558203.db2.gz LGHQJZTYTIIIPK-LBPRGKRZSA-N -1 3 327.808 2.447 20 10 EECDHM CCOc1ccc(CN(CC)[C@@H](C)CS(=O)(=O)CC)c([O-])c1 ZINC000769424500 577577727 /nfs/dbraw/zinc/57/77/27/577577727.db2.gz FMTIJWBATDFRFM-ZDUSSCGKSA-N -1 3 329.462 2.436 20 10 EECDHM COC(=O)C[C@H]1CSCCN1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000762632283 577704928 /nfs/dbraw/zinc/70/49/28/577704928.db2.gz FPONWZCQVOLCLK-ZDUSSCGKSA-N -1 3 341.404 2.214 20 10 EECDHM Cc1ccc(C(=O)NCCNC(=O)c2ccc(Cl)cc2)c([O-])c1O ZINC000751532868 577754988 /nfs/dbraw/zinc/75/49/88/577754988.db2.gz JDPAVVRUGJDCOX-UHFFFAOYSA-N -1 3 348.786 2.219 20 10 EECDHM CC(C)(C)[C@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000753223486 577783447 /nfs/dbraw/zinc/78/34/47/577783447.db2.gz SIFOSOOWLQKJTQ-NSHDSACASA-N -1 3 340.445 2.272 20 10 EECDHM CCOCCCN(C[C@H](C)C(=O)OC)C(=O)c1cc([O-])cs1 ZINC000743415874 577885065 /nfs/dbraw/zinc/88/50/65/577885065.db2.gz MPQIDCBXTMZSBM-NSHDSACASA-N -1 3 329.418 2.132 20 10 EECDHM Cc1cccc(CCNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1 ZINC000749269809 577973811 /nfs/dbraw/zinc/97/38/11/577973811.db2.gz PUSZLBOPGFKZRQ-UHFFFAOYSA-N -1 3 348.424 2.045 20 10 EECDHM Cn1nccc1[C@H](O)C1CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000895377158 684560503 /nfs/dbraw/zinc/56/05/03/684560503.db2.gz JYWWXGYWMONWBW-QGZVFWFLSA-N -1 3 337.370 2.350 20 10 EECDHM COc1cc(CN2CC[C@@](C)([N-]C(=O)C(F)(F)F)C2)c(O)cc1C ZINC000872753179 1198369682 /nfs/dbraw/zinc/36/96/82/1198369682.db2.gz JNMJTBPLKSELMP-OAHLLOKOSA-N -1 3 346.349 2.352 20 10 EECDHM Cc1cc([O-])c(CN2C[C@@]3(F)C(=O)N(C)C[C@@]3(F)C2)cc1Cl ZINC001274217444 1204472404 /nfs/dbraw/zinc/47/24/04/1204472404.db2.gz RJPRMQQVMJWLFM-HUUCEWRRSA-N -1 3 330.762 2.058 20 10 EECDHM [O-]c1cc(F)c(F)cc1CN1C[C@@H]2OCCN(C3CCCC3)[C@H]2C1 ZINC001275773812 1205520822 /nfs/dbraw/zinc/52/08/22/1205520822.db2.gz NCKAONHSSDDQTC-WMZOPIPTSA-N -1 3 338.398 2.498 20 10 EECDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])Cc1nccnc1C ZINC000857019456 1293699641 /nfs/dbraw/zinc/69/96/41/1293699641.db2.gz BMHALBFNNRVOKE-UHFFFAOYSA-N -1 3 335.791 2.319 20 10 EECDHM [O-]c1c(O)cc(-c2nc(-c3ccc(OC4COC4)cc3)no2)cc1O ZINC001215327429 1296825884 /nfs/dbraw/zinc/82/58/84/1296825884.db2.gz AOAQZRFXZDKPEH-UHFFFAOYSA-N -1 3 342.307 2.298 20 10 EECDHM COc1ccc(N2CC[NH+](Cc3ccc(C(=O)[O-])cc3[O-])CC2)cc1 ZINC001231447475 1303798817 /nfs/dbraw/zinc/79/88/17/1303798817.db2.gz VCZBPIBBBYIOLX-UHFFFAOYSA-N -1 3 342.395 2.421 20 10 EECDHM CCc1ncnc2c1CC[N@H+](Cc1ccc(C(=O)[O-])cc1[O-])CC2 ZINC001231449102 1303799336 /nfs/dbraw/zinc/79/93/36/1303799336.db2.gz DYDVVSFNRRCUOV-UHFFFAOYSA-N -1 3 327.384 2.044 20 10 EECDHM CCc1ncnc2c1CC[N@@H+](Cc1ccc(C(=O)[O-])cc1[O-])CC2 ZINC001231449102 1303799339 /nfs/dbraw/zinc/79/93/39/1303799339.db2.gz DYDVVSFNRRCUOV-UHFFFAOYSA-N -1 3 327.384 2.044 20 10 EECDHM CCc1noc(C2CC[NH+](Cc3ccc(C(=O)[O-])cc3[O-])CC2)n1 ZINC001231454694 1303802988 /nfs/dbraw/zinc/80/29/88/1303802988.db2.gz IGLIOVKTUVAGIV-UHFFFAOYSA-N -1 3 331.372 2.415 20 10 EECDHM Cc1cc([O-])c(CN2CCCN(C)C(=O)C2)cc1Br ZINC001237678650 1306041373 /nfs/dbraw/zinc/04/13/73/1306041373.db2.gz KHQGKQCISKMESE-UHFFFAOYSA-N -1 3 327.222 2.127 20 10 EECDHM CCN1C[C@@H](C)N(Cc2c([O-])cccc2Br)CC1=O ZINC001140103605 1314811419 /nfs/dbraw/zinc/81/14/19/1314811419.db2.gz QRZSYLYXJLBRLI-SNVBAGLBSA-N -1 3 327.222 2.207 20 10 EECDHM [O-]c1ccc(Br)cc1CN1CCO[C@H]2C[C@@H](CO)C[C@H]21 ZINC001203635696 1321929073 /nfs/dbraw/zinc/92/90/73/1321929073.db2.gz DSJVQMKVPVDWQX-ZBINZKHDSA-N -1 3 342.233 2.126 20 10 EECDHM C[C@H]([NH2+]CC1(C2(O)CCOCC2)CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001604339495 1350919679 /nfs/dbraw/zinc/91/96/79/1350919679.db2.gz ZABROAXVGOZVKP-LBPRGKRZSA-N -1 3 335.400 2.063 20 10 EECDHM COc1cc(Cl)cc(C[N@H+]2CC[C@@H](OC)C[C@H]2C(=O)[O-])c1[O-] ZINC001610297795 1352201548 /nfs/dbraw/zinc/20/15/48/1352201548.db2.gz WPBCWFQZKLUDEV-NEPJUHHUSA-N -1 3 329.780 2.118 20 10 EECDHM COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](OC)C[C@H]2C(=O)[O-])c1[O-] ZINC001610297795 1352201550 /nfs/dbraw/zinc/20/15/50/1352201550.db2.gz WPBCWFQZKLUDEV-NEPJUHHUSA-N -1 3 329.780 2.118 20 10 EECDHM C[S@](=O)(=NS(=O)(=O)[N-]Cc1ccc(N)cc1)C1CCCCC1 ZINC001579330636 1344371648 /nfs/dbraw/zinc/37/16/48/1344371648.db2.gz MJRNQDYZIQZUIJ-OAQYLSRUSA-N -1 3 345.490 2.034 20 10 EECDHM C[C@H]([NH2+][C@H](C1CC1)[C@H]1CCCOC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589951888 1349076729 /nfs/dbraw/zinc/07/67/29/1349076729.db2.gz HPXBEFLDFZTFSS-DETPVDSQSA-N -1 3 343.431 2.428 20 10 EECDHM C[C@@H]([NH2+]C[C@H](C)N1CCCCC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589959155 1349081427 /nfs/dbraw/zinc/08/14/27/1349081427.db2.gz NQXLHSUVODZKAF-QWHCGFSZSA-N -1 3 330.436 2.097 20 10 EECDHM C[C@@H]([NH2+]C[C@@H]1COc2ccccc21)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589964778 1349083602 /nfs/dbraw/zinc/08/36/02/1349083602.db2.gz SNTFBDYPGDFPGD-VXGBXAGGSA-N -1 3 337.383 2.399 20 10 EECDHM CC[C@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590466859 1349342069 /nfs/dbraw/zinc/34/20/69/1349342069.db2.gz PCAGGVWMNMKHOC-DOMZBBRYSA-N -1 3 344.463 2.486 20 10 EECDHM C[C@H]([NH2+]CCC(=O)Nc1ccccn1)c1cc(C(=O)[O-])ccc1[O-] ZINC001604338986 1350918766 /nfs/dbraw/zinc/91/87/66/1350918766.db2.gz SYYHMEMVCUJWMW-NSHDSACASA-N -1 3 329.356 2.165 20 10 EECDHM CN(C)c1ccc(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC001604703869 1350988283 /nfs/dbraw/zinc/98/82/83/1350988283.db2.gz CMXVJERABBXWCZ-UHFFFAOYSA-N -1 3 339.359 2.453 20 10 EECDHM CN(C)c1ccc(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC001604703869 1350988284 /nfs/dbraw/zinc/98/82/84/1350988284.db2.gz CMXVJERABBXWCZ-UHFFFAOYSA-N -1 3 339.359 2.453 20 10 EECDHM Cc1c([C@@H](C)[NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2[O-])cnn1C ZINC001605483508 1351168497 /nfs/dbraw/zinc/16/84/97/1351168497.db2.gz FAPAJKUJLURBIX-VHSXEESVSA-N -1 3 327.392 2.026 20 10 EECDHM Cc1ccc(O)c(CNc2nc3ncccc3cc2-c2nnn[n-]2)c1 ZINC001605875719 1351243800 /nfs/dbraw/zinc/24/38/00/1351243800.db2.gz LCAUDJUKSREWGV-UHFFFAOYSA-N -1 3 333.355 2.436 20 10 EECDHM Cc1ccc(O)c(CNc2nc3ncccc3cc2-c2nn[n-]n2)c1 ZINC001605875719 1351243804 /nfs/dbraw/zinc/24/38/04/1351243804.db2.gz LCAUDJUKSREWGV-UHFFFAOYSA-N -1 3 333.355 2.436 20 10 EECDHM COCCN1CCN(Cc2c([O-])cccc2F)Cc2cccnc21 ZINC001137835605 1372281908 /nfs/dbraw/zinc/28/19/08/1372281908.db2.gz KVCHUDLVIINUJK-UHFFFAOYSA-N -1 3 331.391 2.395 20 10 EECDHM COCC1(CC[NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2[O-])CCC1 ZINC001591387827 1403908063 /nfs/dbraw/zinc/90/80/63/1403908063.db2.gz FUQVFNNERWHJRG-LBPRGKRZSA-N -1 3 331.420 2.430 20 10 EECDHM CC(=O)c1cc(Cl)cc(CN2CCN(c3ncc[nH]3)CC2)c1[O-] ZINC000846878026 790692408 /nfs/dbraw/zinc/69/24/08/790692408.db2.gz QEQDMKOTDOWVNV-UHFFFAOYSA-N -1 3 334.807 2.294 20 10 EECDHM CN(Cc1nnc2n1CCC2)Cc1ccc(Br)cc1[O-] ZINC000824542492 788225330 /nfs/dbraw/zinc/22/53/30/788225330.db2.gz UCSDBHHYSVMYRL-UHFFFAOYSA-N -1 3 337.221 2.324 20 10 EECDHM COc1ccc(O[C@@H]2CCCN(C(=O)c3cccc(O)c3[O-])C2)nc1 ZINC001148219219 792253949 /nfs/dbraw/zinc/25/39/49/792253949.db2.gz XCHFBOGAIHLINZ-CYBMUJFWSA-N -1 3 344.367 2.185 20 10 EECDHM COc1ccc2c(c1)OC[C@H](CNC(=O)c1cccc(O)c1[O-])C2 ZINC001148225953 792260726 /nfs/dbraw/zinc/26/07/26/792260726.db2.gz YVCAHHJOJWDQNH-NSHDSACASA-N -1 3 329.352 2.088 20 10 EECDHM O=C(CCn1ccnc1)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001176883048 798612288 /nfs/dbraw/zinc/61/22/88/798612288.db2.gz BQSROTQWMUARQO-UHFFFAOYSA-N -1 3 330.775 2.497 20 10 EECDHM O=C(NCc1nc(Cc2ccccc2)no1)c1cccc(O)c1[O-] ZINC000790574970 808832610 /nfs/dbraw/zinc/83/26/10/808832610.db2.gz FOELDZIWVMMDHW-UHFFFAOYSA-N -1 3 325.324 2.002 20 10 EECDHM O=C(NC[C@@H](O)c1c(F)cccc1Cl)c1cccc(O)c1[O-] ZINC000790773939 808912293 /nfs/dbraw/zinc/91/22/93/808912293.db2.gz RDESVZIKPKMUGC-GFCCVEGCSA-N -1 3 325.723 2.354 20 10 EECDHM COc1cc2c(cc1NC(=O)c1cccc(O)c1[O-])NC(=O)CC2 ZINC000790939630 809011361 /nfs/dbraw/zinc/01/13/61/809011361.db2.gz XAGZEGLTVLUZFU-UHFFFAOYSA-N -1 3 328.324 2.243 20 10 EECDHM CN(c1ccc(CNC(=O)[C@H](N)CCC(=O)[O-])cc1)C1CCCCC1 ZINC001598541519 992906109 /nfs/dbraw/zinc/90/61/09/992906109.db2.gz PCOSPXAENJGZOQ-QGZVFWFLSA-N -1 3 347.459 2.264 20 10 EECDHM C[C@H]([NH2+][C@@H]1CCO[C@H](c2ccnn2C)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593234423 994402225 /nfs/dbraw/zinc/40/22/25/994402225.db2.gz ZPOXNZZRONSBBW-PPHDSNJXSA-N -1 3 345.399 2.395 20 10 EECDHM C[C@H]([NH2+]C[C@H]1CC[C@@]2(CO[C@H](C)C2)O1)c1cc(C(=O)[O-])ccc1[O-] ZINC001594285344 999105786 /nfs/dbraw/zinc/10/57/86/999105786.db2.gz RMXFKNHQWQYIDR-AZGFTEDZSA-N -1 3 335.400 2.468 20 10 EECDHM C[C@@H](c1nccs1)N1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000193164928 237370729 /nfs/dbraw/zinc/37/07/29/237370729.db2.gz APASAGURCRYCPM-NSHDSACASA-N -1 3 333.413 2.073 20 10 EECDHM C[C@@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])[C@H](C)C1 ZINC000091729334 462900587 /nfs/dbraw/zinc/90/05/87/462900587.db2.gz DRPCYWSXNQEIRR-GHMZBOCLSA-N -1 3 326.418 2.024 20 10 EECDHM O=C(CN(Cc1ccccc1[O-])C[C@H]1CCCO1)NC1CCCC1 ZINC000069739466 463313886 /nfs/dbraw/zinc/31/38/86/463313886.db2.gz YJVCAZKYWBEJMS-QGZVFWFLSA-N -1 3 332.444 2.432 20 10 EECDHM Cc1cc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)[n-]c(=O)n1 ZINC000268556663 463784561 /nfs/dbraw/zinc/78/45/61/463784561.db2.gz AOPHXFAPZYXPFT-AWEZNQCLSA-N -1 3 343.383 2.018 20 10 EECDHM CCS(=O)(=O)CCN[C@@H](C)c1ccc(Br)cc1[O-] ZINC000185331294 463803007 /nfs/dbraw/zinc/80/30/07/463803007.db2.gz FFUAOBPZCZOXHY-VIFPVBQESA-N -1 3 336.251 2.240 20 10 EECDHM COC[C@@H](C1CC1)N1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277190112 463903799 /nfs/dbraw/zinc/90/37/99/463903799.db2.gz CYZZTSBLJIYYRA-ZDUSSCGKSA-N -1 3 338.791 2.235 20 10 EECDHM [O-]c1ccc(Br)cc1CN1CCOC[C@@]12CCOC2 ZINC000195017270 463977020 /nfs/dbraw/zinc/97/70/20/463977020.db2.gz TXVBVBWGJQCXOV-AWEZNQCLSA-N -1 3 328.206 2.146 20 10 EECDHM CN(C[C@H]1CCCN(Cc2cccc(Cl)c2[O-])C1)S(C)(=O)=O ZINC000289331146 464074509 /nfs/dbraw/zinc/07/45/09/464074509.db2.gz GVJOEEBAOVBWNA-GFCCVEGCSA-N -1 3 346.880 2.149 20 10 EECDHM COCCOc1cc(C)ccc1CNC(=O)c1cccc(O)c1[O-] ZINC000279288621 464086164 /nfs/dbraw/zinc/08/61/64/464086164.db2.gz MDYKZIFUJIRRCB-UHFFFAOYSA-N -1 3 331.368 2.361 20 10 EECDHM C[C@H]1CCC[C@H](C)N1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000179541313 464155130 /nfs/dbraw/zinc/15/51/30/464155130.db2.gz CNJXEKTZCCGXNY-QWRGUYRKSA-N -1 3 326.418 2.167 20 10 EECDHM COc1cc(Cl)cc(CN2C[C@@H](C)O[C@]3(CCOC3)C2)c1[O-] ZINC000280142019 464191573 /nfs/dbraw/zinc/19/15/73/464191573.db2.gz DCHTVJFLFOVVQP-BDJLRTHQSA-N -1 3 327.808 2.434 20 10 EECDHM COc1c([O-])c(CN(C)C[C@H](O)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000294069559 464432023 /nfs/dbraw/zinc/43/20/23/464432023.db2.gz YKEBOJQHFQPMML-OAHLLOKOSA-N -1 3 346.383 2.344 20 10 EECDHM CC(=O)c1cc(F)cc(CN2C[C@@H](C(N)=O)Cc3ccccc32)c1[O-] ZINC000267443490 464931827 /nfs/dbraw/zinc/93/18/27/464931827.db2.gz JAEAYQUGZRZHGU-AWEZNQCLSA-N -1 3 342.370 2.398 20 10 EECDHM O=C1NC[C@]2(CCCN(Cc3cc(Br)ccc3[O-])C2)O1 ZINC000373642399 466876658 /nfs/dbraw/zinc/87/66/58/466876658.db2.gz XDMCKFRBTNSUFG-AWEZNQCLSA-N -1 3 341.205 2.229 20 10 EECDHM Cc1cc(Br)cc(CN2CCN3C(=O)OC[C@H]3C2)c1[O-] ZINC000378444020 467303649 /nfs/dbraw/zinc/30/36/49/467303649.db2.gz OKOUWERALBZGNX-GFCCVEGCSA-N -1 3 341.205 2.100 20 10 EECDHM CC1(C)CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000726986743 576364421 /nfs/dbraw/zinc/36/44/21/576364421.db2.gz WSNXOYLLGQABOR-UHFFFAOYSA-N -1 3 326.418 2.026 20 10 EECDHM COc1ccc(C(=O)N2CCN(C(=O)c3cc([O-])cs3)CC2)cc1 ZINC000731868452 577130823 /nfs/dbraw/zinc/13/08/23/577130823.db2.gz ZSIIPEGWBOHMOY-UHFFFAOYSA-N -1 3 346.408 2.061 20 10 EECDHM O=C(OCc1cc(=O)n2cc(Cl)ccc2n1)c1cc([O-])cs1 ZINC000731910544 577133022 /nfs/dbraw/zinc/13/30/22/577133022.db2.gz SLBZLFCCMSPMAJ-UHFFFAOYSA-N -1 3 336.756 2.472 20 10 EECDHM COc1ccc(OC)c2c1CN(C(=O)c1cc([O-])cs1)C[C@@H]2O ZINC000732258556 577161563 /nfs/dbraw/zinc/16/15/63/577161563.db2.gz UIHOKMQGOICGCW-NSHDSACASA-N -1 3 335.381 2.160 20 10 EECDHM Cc1ccc(C(=O)N[C@@H](C)c2ccc(NC(N)=O)cc2)c([O-])c1O ZINC000770470163 577597032 /nfs/dbraw/zinc/59/70/32/577597032.db2.gz ZRLWOHXCTMIFFA-JTQLQIEISA-N -1 3 329.356 2.388 20 10 EECDHM CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc2n[n-]nc2cc1F ZINC000753825586 577794627 /nfs/dbraw/zinc/79/46/27/577794627.db2.gz AWEDKYCTZGJUDK-UHFFFAOYSA-N -1 3 341.346 2.202 20 10 EECDHM C[C@@H](N[C@@H]1CCCc2c1cnn2CCO)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756457793 577844511 /nfs/dbraw/zinc/84/45/11/577844511.db2.gz LMDYLHGJGKTTJU-IAQYHMDHSA-N -1 3 346.387 2.217 20 10 EECDHM C[C@@H]1C[C@@H](Nc2cnn(CC(=O)N(C)C)c2)c2c1c(F)ccc2[O-] ZINC000757640553 577861585 /nfs/dbraw/zinc/86/15/85/577861585.db2.gz XXTMXENEPVLGKU-ZWNOBZJWSA-N -1 3 332.379 2.476 20 10 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EECDHM COc1cc([N-]S(=O)(=O)c2ccc3oc(=O)ccc3c2)ccc1O ZINC000797820042 1371548432 /nfs/dbraw/zinc/54/84/32/1371548432.db2.gz CVKQFEZXRCQDED-UHFFFAOYSA-N -1 3 347.348 2.308 20 10 EECDHM CCn1nnc2c1CCN(Cc1ccc(Cl)cc1[O-])[C@@H]2COC ZINC001140462929 1372580117 /nfs/dbraw/zinc/58/01/17/1372580117.db2.gz OJASALJSMPCLOM-CQSZACIVSA-N -1 3 336.823 2.403 20 10 EECDHM COCC(=O)Nc1ccc(NC(=O)c2ccc(C)c(O)c2[O-])cc1 ZINC000780871411 760800553 /nfs/dbraw/zinc/80/05/53/760800553.db2.gz PTLNEVXKZAIDRK-UHFFFAOYSA-N -1 3 330.340 2.243 20 10 EECDHM CCOCCN1CCN(Cc2ccc(Br)cc2[O-])CC1 ZINC000824549239 788212172 /nfs/dbraw/zinc/21/21/72/788212172.db2.gz ZVOTWKOEUOVGSO-UHFFFAOYSA-N -1 3 343.265 2.309 20 10 EECDHM Cc1ccc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])s1 ZINC000055283523 789106369 /nfs/dbraw/zinc/10/63/69/789106369.db2.gz XEMPMJNQPAGMAN-UHFFFAOYSA-N -1 3 340.426 2.064 20 10 EECDHM COc1cccc2ncnc(NC(=O)c3cc(O)c([O-])c(O)c3)c21 ZINC001148582503 792568301 /nfs/dbraw/zinc/56/83/01/792568301.db2.gz 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CC[C@@H](N[C@@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(F)cc1[O-] ZINC000285992144 464766323 /nfs/dbraw/zinc/76/63/23/464766323.db2.gz HAZBQJGZRJRXJZ-HUUCEWRRSA-N -1 3 332.379 2.111 20 10 EECDHM CC(=O)c1cc(Cl)cc(CN(C)CCN2CCOCC2)c1[O-] ZINC000177164621 464947320 /nfs/dbraw/zinc/94/73/20/464947320.db2.gz JXIDZCHKBMEDMU-UHFFFAOYSA-N -1 3 326.824 2.012 20 10 EECDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@@H](OCCO)C2)c1[O-] ZINC000177181087 464951980 /nfs/dbraw/zinc/95/19/80/464951980.db2.gz YDOCCSKMWZVFKA-CQSZACIVSA-N -1 3 327.808 2.222 20 10 EECDHM CC(C)(C)OC(=O)N1CCC[C@@H]1CNC(=O)c1cccc(O)c1[O-] ZINC000276610432 464999231 /nfs/dbraw/zinc/99/92/31/464999231.db2.gz SNNLKWHHEHFIBM-LLVKDONJSA-N -1 3 336.388 2.227 20 10 EECDHM CO[C@H](C)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000366400698 465705041 /nfs/dbraw/zinc/70/50/41/465705041.db2.gz FMACODQXXBXNMW-RISCZKNCSA-N -1 3 326.824 2.161 20 10 EECDHM COC(=O)C[C@H]1CN(C(=O)c2cccc(O)c2[O-])c2ccccc21 ZINC000366167304 533730174 /nfs/dbraw/zinc/73/01/74/533730174.db2.gz 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O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1Cc1cccnc1 ZINC000760918819 577672083 /nfs/dbraw/zinc/67/20/83/577672083.db2.gz DMFXWLOAIZUSAF-UHFFFAOYSA-N -1 3 331.759 2.405 20 10 EECDHM C[C@@H](N[C@H]1CCCc2c1cnn2CCO)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756457791 577844559 /nfs/dbraw/zinc/84/45/59/577844559.db2.gz LMDYLHGJGKTTJU-ABAIWWIYSA-N -1 3 346.387 2.217 20 10 EECDHM C[C@@H](N[C@@H]1CCN(CC(F)(F)F)C1=O)c1cc(F)cc(F)c1[O-] ZINC000756713713 577849221 /nfs/dbraw/zinc/84/92/21/577849221.db2.gz XZQVHWCQBLMOII-RDDDGLTNSA-N -1 3 338.276 2.484 20 10 EECDHM Cc1ccc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2F)c(O)c1O ZINC000737318541 578250163 /nfs/dbraw/zinc/25/01/63/578250163.db2.gz WFGWMAXTSNENBV-UHFFFAOYSA-N -1 3 344.302 2.082 20 10 EECDHM Cc1ccc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2F)c(O)c1O ZINC000737318541 578250164 /nfs/dbraw/zinc/25/01/64/578250164.db2.gz WFGWMAXTSNENBV-UHFFFAOYSA-N -1 3 344.302 2.082 20 10 EECDHM CCCCN1C(=O)COCC12CN(Cc1ccc(Cl)cc1[O-])C2 ZINC001273158814 1197144522 /nfs/dbraw/zinc/14/45/22/1197144522.db2.gz 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Cc1cc(F)c(S(=O)(=O)[N-]Cc2ccc(O)cc2O)cc1F ZINC001309602108 1331636115 /nfs/dbraw/zinc/63/61/15/1331636115.db2.gz PSHRYRVDZMPOJP-UHFFFAOYSA-N -1 3 329.324 2.163 20 10 EECDHM O=C([O-])c1cnn2c1[nH]c(CN1CC[C@H]3CCCC[C@@H]3C1)cc2=O ZINC001326538701 1334111843 /nfs/dbraw/zinc/11/18/43/1334111843.db2.gz DRJHUHHBLGCVKK-VXGBXAGGSA-N -1 3 330.388 2.145 20 10 EECDHM COc1ccc(O)c([C@H](C)NC(=O)c2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000847590573 1338195133 /nfs/dbraw/zinc/19/51/33/1338195133.db2.gz ATVMHVLURSFFNY-VIFPVBQESA-N -1 3 329.356 2.265 20 10 EECDHM O=C([O-])c1cn([C@H]2CC[N@H+](Cc3c([O-])ccc4ccccc43)C2)nn1 ZINC001610859144 1352286549 /nfs/dbraw/zinc/28/65/49/1352286549.db2.gz PJBJFAZBTWMAKI-ZDUSSCGKSA-N -1 3 338.367 2.282 20 10 EECDHM O=C([O-])c1cn([C@H]2CC[N@@H+](Cc3c([O-])ccc4ccccc43)C2)nn1 ZINC001610859144 1352286553 /nfs/dbraw/zinc/28/65/53/1352286553.db2.gz PJBJFAZBTWMAKI-ZDUSSCGKSA-N -1 3 338.367 2.282 20 10 EECDHM C[C@H]([NH2+]C[C@@H](CO)C1CCCCC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589959962 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NLJMKMHZQBKAGE-UHFFFAOYSA-N -1 3 340.362 2.002 20 10 EECDHM O=C([O-])CC[N@H+](Cc1ccccc1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC001602007570 1350417026 /nfs/dbraw/zinc/41/70/26/1350417026.db2.gz OSVAMZQJQHUYBY-KRWDZBQOSA-N -1 3 343.379 2.295 20 10 EECDHM O=C([O-])CC[N@@H+](Cc1ccccc1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC001602007570 1350417028 /nfs/dbraw/zinc/41/70/28/1350417028.db2.gz OSVAMZQJQHUYBY-KRWDZBQOSA-N -1 3 343.379 2.295 20 10 EECDHM COc1cc(Br)cc(C[NH2+][C@@H](C(=O)[O-])C2CC2)c1[O-] ZINC001607055285 1351404612 /nfs/dbraw/zinc/40/46/12/1351404612.db2.gz CANNYAWXJJTLMO-LLVKDONJSA-N -1 3 330.178 2.116 20 10 EECDHM CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(Cc3c([O-])cccc3F)[C@@H]2C1 ZINC001137835554 1372281488 /nfs/dbraw/zinc/28/14/88/1372281488.db2.gz IVVBAYLBSWPMCY-XGWLTEMNSA-N -1 3 336.407 2.035 20 10 EECDHM CCOC(=O)c1ncn2c1CN(Cc1c([O-])cccc1Cl)CC2 ZINC001140338142 1372564402 /nfs/dbraw/zinc/56/44/02/1372564402.db2.gz WSWOFZZSFHCHEC-UHFFFAOYSA-N -1 3 335.791 2.435 20 10 EECDHM Cc1cc(=O)[n-]c(NCc2ccc(N3CCC(O)CC3)c(F)c2)n1 ZINC001354079137 1373048840 /nfs/dbraw/zinc/04/88/40/1373048840.db2.gz KXRRCGFUISZJTL-UHFFFAOYSA-N -1 3 332.379 2.203 20 10 EECDHM COC(=O)CN(Cc1cc2n(n1)CCC2)Cc1cc(Cl)ccc1[O-] ZINC000844306592 789003134 /nfs/dbraw/zinc/00/31/34/789003134.db2.gz KHKRKDJJXHLBFE-UHFFFAOYSA-N -1 3 349.818 2.364 20 10 EECDHM COc1cc(NC(=O)c2cc(O)c([O-])c(O)c2)ncc1C(F)(F)F ZINC001148582884 792569066 /nfs/dbraw/zinc/56/90/66/792569066.db2.gz PDBBDSKRFSUBGL-UHFFFAOYSA-N -1 3 344.245 2.478 20 10 EECDHM O=C(NCc1ccc(C(=O)N2CCCC2)cc1)c1cccc(O)c1[O-] ZINC000790509416 808770309 /nfs/dbraw/zinc/77/03/09/808770309.db2.gz VWFNEGKDSGBGGR-UHFFFAOYSA-N -1 3 340.379 2.264 20 10 EECDHM CNC(=O)c1ccc(CN(C(=O)c2cccc(O)c2[O-])C2CC2)cc1 ZINC000790523514 808780408 /nfs/dbraw/zinc/78/04/08/808780408.db2.gz CBCABRZPHHHJEU-UHFFFAOYSA-N -1 3 340.379 2.262 20 10 EECDHM COC[C@@H]1CN(Cc2cc(Br)cc(OC)c2[O-])CCO1 ZINC000093528342 237046988 /nfs/dbraw/zinc/04/69/88/237046988.db2.gz QZLACRHAHZPSCF-LBPRGKRZSA-N -1 3 346.221 2.011 20 10 EECDHM [O-]c1ccc(Cl)c(F)c1CN1CC[C@@H](CN2CCOCC2)C1 ZINC000191402474 237254989 /nfs/dbraw/zinc/25/49/89/237254989.db2.gz PXXKVCCWWHNFSI-LBPRGKRZSA-N -1 3 328.815 2.339 20 10 EECDHM C[C@@H]1CCN(Cc2cc(Br)ccc2[O-])CC[S@@]1=O ZINC000277727779 463930154 /nfs/dbraw/zinc/93/01/54/463930154.db2.gz SUGXKPIVUZGAIS-MGNBDDOMSA-N -1 3 332.263 2.498 20 10 EECDHM COc1c([O-])c(CNCc2ccc3c(c2)OCO3)ccc1[N+](=O)[O-] ZINC000278833530 463997574 /nfs/dbraw/zinc/99/75/74/463997574.db2.gz IXYDYYVRWMGDKB-UHFFFAOYSA-N -1 3 332.312 2.328 20 10 EECDHM COCCN(Cc1ccc2c(c1)OCO2)C(=O)c1cccc(O)c1[O-] ZINC000279416691 464100884 /nfs/dbraw/zinc/10/08/84/464100884.db2.gz XSVSIYHDCNIISF-UHFFFAOYSA-N -1 3 345.351 2.115 20 10 EECDHM COc1ccccc1N(CCO)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000290199025 464110936 /nfs/dbraw/zinc/11/09/36/464110936.db2.gz PLLSSKUGASUGKG-UHFFFAOYSA-N -1 3 348.355 2.317 20 10 EECDHM COC(=O)C[C@H]1CCCN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000179889949 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Cc1ccc(C(=O)N2CCOC[C@H]2[C@@H]2CCCCC2=O)c([O-])c1O ZINC000273942747 464731400 /nfs/dbraw/zinc/73/14/00/464731400.db2.gz XFOQDGSJAPORHL-JSGCOSHPSA-N -1 3 333.384 2.007 20 10 EECDHM CCO[C@@H]1C[C@H](NCc2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@@H]1OC ZINC000274852337 464756448 /nfs/dbraw/zinc/75/64/48/464756448.db2.gz BOQMVTYXAVRLOU-SUHUHFCYSA-N -1 3 330.768 2.236 20 10 EECDHM COc1cc(Cl)cc(CN(C2CC2)[C@H]2CCS(=O)(=O)C2)c1[O-] ZINC000184679992 465017774 /nfs/dbraw/zinc/01/77/74/465017774.db2.gz QQNLDUKBLGNHBQ-ZDUSSCGKSA-N -1 3 345.848 2.206 20 10 EECDHM Cc1ccc(C(=O)N2CCNC(=O)[C@H]2c2ccccc2C)c([O-])c1O ZINC000368115277 466580401 /nfs/dbraw/zinc/58/04/01/466580401.db2.gz BGOSDTTVSZPNPJ-OAHLLOKOSA-N -1 3 340.379 2.028 20 10 EECDHM CCCN(CC1CC1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000093901639 528021845 /nfs/dbraw/zinc/02/18/45/528021845.db2.gz CLYGFXIFAPPRGH-UHFFFAOYSA-N -1 3 326.418 2.026 20 10 EECDHM CCOC(=O)C1CCN(C(=O)[C@H](C)N(C)Cc2ccccc2[O-])CC1 ZINC000111236111 528638775 /nfs/dbraw/zinc/63/87/75/528638775.db2.gz JJFLNCFDUCAPIM-AWEZNQCLSA-N -1 3 348.443 2.014 20 10 EECDHM CCOCc1ccccc1CNC(=O)COC(=O)c1cc([O-])cs1 ZINC000732354348 577174751 /nfs/dbraw/zinc/17/47/51/577174751.db2.gz KBIMMKYKJQMXBY-UHFFFAOYSA-N -1 3 349.408 2.463 20 10 EECDHM NS(=O)(=O)c1ccc2c(c1)N(Cc1c([O-])cccc1Cl)CC2 ZINC000776266479 577455984 /nfs/dbraw/zinc/45/59/84/577455984.db2.gz VXQFOCOCYYYADZ-UHFFFAOYSA-N -1 3 338.816 2.256 20 10 EECDHM COc1ccc2c(c1)CCCCN2Cc1nc2c(cnn2C)c(=O)[n-]1 ZINC000766270013 577516266 /nfs/dbraw/zinc/51/62/66/577516266.db2.gz NTGWIROXDXOULR-UHFFFAOYSA-N -1 3 339.399 2.420 20 10 EECDHM CCOc1ccc(CN2CCCC[C@H]2C(=O)N2CCOCC2)c([O-])c1 ZINC000769310443 577574648 /nfs/dbraw/zinc/57/46/48/577574648.db2.gz NHMNORYMCDEDBQ-KRWDZBQOSA-N -1 3 348.443 2.004 20 10 EECDHM C[C@H](NCc1ccc2c(c1)C(=O)NCC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000757662692 577862138 /nfs/dbraw/zinc/86/21/38/577862138.db2.gz WFDYBQBIIYKIFC-NSHDSACASA-N -1 3 341.367 2.437 20 10 EECDHM O=C(C=Cc1ccc(O)c(O)c1)OCc1cccc(-c2nnn[n-]2)c1 ZINC000822928590 607452160 /nfs/dbraw/zinc/45/21/60/607452160.db2.gz KTPIGFBFMUKPND-ALCCZGGFSA-N -1 3 338.323 2.035 20 10 EECDHM O=C(C=Cc1ccc(O)c(O)c1)OCc1cccc(-c2nn[n-]n2)c1 ZINC000822928590 607452161 /nfs/dbraw/zinc/45/21/61/607452161.db2.gz KTPIGFBFMUKPND-ALCCZGGFSA-N -1 3 338.323 2.035 20 10 EECDHM COc1ccc(O)c([C@H](C)Nc2nccc(C)c2-c2nnn[n-]2)c1 ZINC000826210512 609548592 /nfs/dbraw/zinc/54/85/92/609548592.db2.gz URPBFJFQBQRBMC-JTQLQIEISA-N -1 3 326.360 2.457 20 10 EECDHM COc1ccc(O)c([C@H](C)Nc2nccc(C)c2-c2nn[n-]n2)c1 ZINC000826210512 609548593 /nfs/dbraw/zinc/54/85/93/609548593.db2.gz URPBFJFQBQRBMC-JTQLQIEISA-N -1 3 326.360 2.457 20 10 EECDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1cocn1 ZINC000134266278 676333215 /nfs/dbraw/zinc/33/32/15/676333215.db2.gz CCASDKWTDRXFOT-CYBMUJFWSA-N -1 3 335.791 2.428 20 10 EECDHM CC[C@@H]1C(=O)NCCCN1Cc1c([O-])cccc1Br ZINC000898547851 693367319 /nfs/dbraw/zinc/36/73/19/693367319.db2.gz LMUBZBCNVYJQBM-GFCCVEGCSA-N -1 3 327.222 2.255 20 10 EECDHM C[C@@H]1CN(Cc2cc(Cl)cc(F)c2[O-])CCN1CC(C)(C)O ZINC000783722371 1187079117 /nfs/dbraw/zinc/07/91/17/1187079117.db2.gz BMDVYDFALMGIBP-LLVKDONJSA-N -1 3 330.831 2.462 20 10 EECDHM COc1cccc(CN2CCN(C(=O)c3cccc(O)c3[O-])CC2)c1 ZINC000870157975 1200523247 /nfs/dbraw/zinc/52/32/47/1200523247.db2.gz VUJRFXKHYLHTJU-UHFFFAOYSA-N -1 3 342.395 2.064 20 10 EECDHM CC(=O)N1CCCN(Cc2cccc(Br)c2[O-])CC1 ZINC000133278032 1202186421 /nfs/dbraw/zinc/18/64/21/1202186421.db2.gz URAXJKAOLWANRG-UHFFFAOYSA-N -1 3 327.222 2.209 20 10 EECDHM C[C@H](NC(=O)c1ccc(N)cc1[O-])c1ccc(N2CCOCC2)cc1 ZINC000827725380 1248671056 /nfs/dbraw/zinc/67/10/56/1248671056.db2.gz GLYNTYPJLPEPSF-ZDUSSCGKSA-N -1 3 341.411 2.302 20 10 EECDHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@H](c2nncn2C)C(C)C)c1 ZINC000903064190 1239649234 /nfs/dbraw/zinc/64/92/34/1239649234.db2.gz LWJRXXQMDBQUGG-ABAIWWIYSA-N -1 3 332.404 2.355 20 10 EECDHM [O-]c1ccc(Br)cc1CN1CCN(c2ccncn2)CC1 ZINC001203650448 1279336997 /nfs/dbraw/zinc/33/69/97/1279336997.db2.gz TUJRNRORZZUUTM-UHFFFAOYSA-N -1 3 349.232 2.267 20 10 EECDHM CCN(Cc1ccc(Br)cc1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000691679464 1280258284 /nfs/dbraw/zinc/25/82/84/1280258284.db2.gz ROXCZVNMIGYZOJ-GFCCVEGCSA-N -1 3 348.262 2.164 20 10 EECDHM O=C(NCc1ccc(-n2ccnc2)nc1)NCc1c([O-])cccc1F ZINC001222859206 1299897419 /nfs/dbraw/zinc/89/74/19/1299897419.db2.gz RLBIXQOTGRVRDJ-UHFFFAOYSA-N -1 3 341.346 2.111 20 10 EECDHM COC(=O)C[C@@H](C)Oc1cccc2c1C(=O)c1cccc([O-])c1C2=O ZINC001229185696 1302659931 /nfs/dbraw/zinc/65/99/31/1302659931.db2.gz AESLBAWUKAKVMM-SNVBAGLBSA-N -1 3 340.331 2.498 20 10 EECDHM O=C([O-])c1ccc(CN2CCN(c3ccc(Cl)cn3)CC2)c(O)c1 ZINC001231454860 1303803563 /nfs/dbraw/zinc/80/35/63/1303803563.db2.gz JSJCRDWGAVJFIM-UHFFFAOYSA-N -1 3 347.802 2.461 20 10 EECDHM COc1cc([O-])c(CN2CC[C@@H](F)[C@H](O)C2)cc1Br ZINC001233135546 1304372066 /nfs/dbraw/zinc/37/20/66/1304372066.db2.gz UOZDWVVCYUTURC-ZYHUDNBSSA-N -1 3 334.185 2.068 20 10 EECDHM CCOC(=O)[C@H]1COCCN1Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233455498 1304469698 /nfs/dbraw/zinc/46/96/98/1304469698.db2.gz NFSCZNWPYVWQIN-GFCCVEGCSA-N -1 3 333.306 2.175 20 10 EECDHM COc1ccc(CN2CC[C@@H](Oc3cnccn3)C2)c([O-])c1Cl ZINC001236818307 1305689802 /nfs/dbraw/zinc/68/98/02/1305689802.db2.gz LXJOOHZOXCYFAT-GFCCVEGCSA-N -1 3 335.791 2.498 20 10 EECDHM COc1cc([O-])c(CN2CC[C@@H](O)[C@H](F)C2)c(Br)c1 ZINC001237065427 1305784472 /nfs/dbraw/zinc/78/44/72/1305784472.db2.gz OPZCOEDVGPWDNG-VXGBXAGGSA-N -1 3 334.185 2.068 20 10 EECDHM O=C(NCCc1nc(Cc2ccccc2)no1)c1cccc(O)c1[O-] ZINC001120744876 1309723732 /nfs/dbraw/zinc/72/37/32/1309723732.db2.gz PIRUNLYBDQLMEV-UHFFFAOYSA-N -1 3 339.351 2.044 20 10 EECDHM C[C@H](NC(=O)c1cccc(O)c1[O-])C(=O)N1c2ccccc2C[C@@H]1C ZINC000837024548 1315049147 /nfs/dbraw/zinc/04/91/47/1315049147.db2.gz SVOTWUAYDHHVIE-RYUDHWBXSA-N -1 3 340.379 2.194 20 10 EECDHM COc1ccccc1[C@@H](O)C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001610363310 1352210705 /nfs/dbraw/zinc/21/07/05/1352210705.db2.gz LKGQYOCXQLJRJI-ZBEGNZNMSA-N -1 3 331.368 2.483 20 10 EECDHM CCC(CC)[C@H](O)C[NH2+][C@@H](CC)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590462893 1349338677 /nfs/dbraw/zinc/33/86/77/1349338677.db2.gz GMEFPCSPXJNGOS-LSDHHAIUSA-N -1 3 333.436 2.410 20 10 EECDHM CCN(CC)c1ccc(CNc2ncncc2-c2nnn[n-]2)cc1F ZINC001590688925 1349390228 /nfs/dbraw/zinc/39/02/28/1349390228.db2.gz IXUTUPYKOQTGHC-UHFFFAOYSA-N -1 3 342.382 2.254 20 10 EECDHM C(=Cc1cc(-c2nnn[n-]2)ccn1)c1ccc(N2CCOCC2)cc1 ZINC001602745646 1350579768 /nfs/dbraw/zinc/57/97/68/1350579768.db2.gz MOUKIAXCAPKYEX-DAFODLJHSA-N -1 3 334.383 2.269 20 10 EECDHM C(=Cc1cc(-c2nn[n-]n2)ccn1)c1ccc(N2CCOCC2)cc1 ZINC001602745646 1350579772 /nfs/dbraw/zinc/57/97/72/1350579772.db2.gz MOUKIAXCAPKYEX-DAFODLJHSA-N -1 3 334.383 2.269 20 10 EECDHM C[C@H]([NH2+]C[C@H]1CCOC(C)(C)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603656308 1350735795 /nfs/dbraw/zinc/73/57/95/1350735795.db2.gz GCJAAVKBEISRNF-RYUDHWBXSA-N -1 3 331.420 2.428 20 10 EECDHM [O-]c1c(Cl)cccc1C[NH2+][C@H]1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001607110823 1351422365 /nfs/dbraw/zinc/42/23/65/1351422365.db2.gz JKMIYYTYVZJHPV-AWEZNQCLSA-N -1 3 341.802 2.483 20 10 EECDHM [O-]c1c(Cl)cccc1C[NH2+][C@H]1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001607110823 1351422373 /nfs/dbraw/zinc/42/23/73/1351422373.db2.gz JKMIYYTYVZJHPV-AWEZNQCLSA-N -1 3 341.802 2.483 20 10 EECDHM COC(=O)CCc1csc(NC(=O)c2ccc(C)c(O)c2[O-])n1 ZINC000780983549 1371180078 /nfs/dbraw/zinc/18/00/78/1371180078.db2.gz DZHVHTZNOOYUMX-UHFFFAOYSA-N -1 3 336.369 2.221 20 10 EECDHM CC(=O)c1cc(Cl)cc(CN2CCC3(COC(=O)N3)CC2)c1[O-] ZINC000784461529 1371409145 /nfs/dbraw/zinc/40/91/45/1371409145.db2.gz APQUJGPMHLGSQM-UHFFFAOYSA-N -1 3 338.791 2.323 20 10 EECDHM CN(Cc1cccc(I)c1[O-])C1(C)COC1 ZINC001237781748 782794003 /nfs/dbraw/zinc/79/40/03/782794003.db2.gz ZLSTYUKSRMQHFK-UHFFFAOYSA-N -1 3 333.169 2.218 20 10 EECDHM CCN(CC)C(=O)CN(C)Cc1cccc(Br)c1[O-] ZINC000155102241 770324169 /nfs/dbraw/zinc/32/41/69/770324169.db2.gz KJLNEJHZLOHSIC-UHFFFAOYSA-N -1 3 329.238 2.455 20 10 EECDHM [O-]c1cccc(Br)c1CN1CCN[C@@H](C(F)(F)F)C1 ZINC001236982700 778572302 /nfs/dbraw/zinc/57/23/02/778572302.db2.gz WQFPKQPURYLCKU-LLVKDONJSA-N -1 3 339.155 2.491 20 10 EECDHM CNC(=O)NC1CCN(Cc2cccc(Br)c2[O-])CC1 ZINC000840974915 783363214 /nfs/dbraw/zinc/36/32/14/783363214.db2.gz QEGQOBBSTCXOCQ-UHFFFAOYSA-N -1 3 342.237 2.048 20 10 EECDHM C[C@@H](CS(C)(=O)=O)N(C)Cc1c([O-])cccc1Br ZINC000707144725 786132037 /nfs/dbraw/zinc/13/20/37/786132037.db2.gz RGWALORGRPDUHT-VIFPVBQESA-N -1 3 336.251 2.020 20 10 EECDHM CCOC(=O)[C@@H]1CN(Cc2cc(Cl)c(F)cc2[O-])CC12COC2 ZINC000824489189 788187724 /nfs/dbraw/zinc/18/77/24/788187724.db2.gz FCAAGYWKTVQTFP-NSHDSACASA-N -1 3 343.782 2.196 20 10 EECDHM COc1ccnc(N2CCN(Cc3cc(Cl)c(C)cc3[O-])CC2)n1 ZINC000824555910 788213958 /nfs/dbraw/zinc/21/39/58/788213958.db2.gz JVMWDGNHCWVGJR-UHFFFAOYSA-N -1 3 348.834 2.475 20 10 EECDHM C[C@@H]1C(=O)OC[C@H]1C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001182089021 801033305 /nfs/dbraw/zinc/03/33/05/801033305.db2.gz PQKLNCVIAPIQRN-GZMMTYOYSA-N -1 3 334.759 2.019 20 10 EECDHM O=C(Nc1ccc(F)c(N2CCOC2=O)c1)c1cccc(O)c1[O-] ZINC000794105306 810673590 /nfs/dbraw/zinc/67/35/90/810673590.db2.gz GUZLJSONLBGSSF-UHFFFAOYSA-N -1 3 332.287 2.446 20 10 EECDHM COc1ccc(C[NH2+]Cc2cccc(F)c2[O-])cc1-c1nnn[n-]1 ZINC000826202984 947603365 /nfs/dbraw/zinc/60/33/65/947603365.db2.gz VFCFIXKLBHAQBL-UHFFFAOYSA-N -1 3 329.335 2.010 20 10 EECDHM COc1ccc(C[NH2+]Cc2cccc(F)c2[O-])cc1-c1nn[n-]n1 ZINC000826202984 947603370 /nfs/dbraw/zinc/60/33/70/947603370.db2.gz VFCFIXKLBHAQBL-UHFFFAOYSA-N -1 3 329.335 2.010 20 10 EECDHM C[C@H]([NH2+]CCNC(=O)c1ccccc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593271735 994606888 /nfs/dbraw/zinc/60/68/88/994606888.db2.gz MEYJJSOALTYRRW-LBPRGKRZSA-N -1 3 328.368 2.171 20 10 EECDHM CN(CC(=O)NCCOc1cccc(F)c1)Cc1ccccc1[O-] ZINC000111236192 529834281 /nfs/dbraw/zinc/83/42/81/529834281.db2.gz IHHMPQHUUYVSOY-UHFFFAOYSA-N -1 3 332.375 2.158 20 10 EECDHM CCOCCN1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000127417852 462550055 /nfs/dbraw/zinc/55/00/55/462550055.db2.gz WANRTXURJCBWGV-UHFFFAOYSA-N -1 3 343.265 2.309 20 10 EECDHM [O-]c1ccc(Br)cc1CN1CCN(c2cccnn2)CC1 ZINC000127917274 462594043 /nfs/dbraw/zinc/59/40/43/462594043.db2.gz JAVGJLUPPLKSFW-UHFFFAOYSA-N -1 3 349.232 2.267 20 10 EECDHM CC(C)(C)c1cnc(SCc2cc(=O)n3nc(N)[n-]c3n2)s1 ZINC000164343662 463621700 /nfs/dbraw/zinc/62/17/00/463621700.db2.gz MYNFEPNYAZQDTL-UHFFFAOYSA-N -1 3 336.446 2.046 20 10 EECDHM Cc1ccc(C(=O)NCC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)c([O-])c1O ZINC000177666049 463760829 /nfs/dbraw/zinc/76/08/29/463760829.db2.gz CVBIDWVDMMTMAN-BETUJISGSA-N -1 3 336.432 2.024 20 10 EECDHM CN(Cc1nccn1CC(F)(F)F)C(=O)c1cccc(O)c1[O-] ZINC000280736319 464240665 /nfs/dbraw/zinc/24/06/65/464240665.db2.gz VUGVLDMXMRZGCI-UHFFFAOYSA-N -1 3 329.278 2.129 20 10 EECDHM CCCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)c2cccc(O)c2[O-])C1 ZINC000188283840 464243688 /nfs/dbraw/zinc/24/36/88/464243688.db2.gz ZHDJXXZMISCUBN-QWHCGFSZSA-N -1 3 334.416 2.255 20 10 EECDHM CC[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccncc1 ZINC000271345950 464292921 /nfs/dbraw/zinc/29/29/21/464292921.db2.gz GSIBLRMDJZVMGF-AWEZNQCLSA-N -1 3 349.412 2.040 20 10 EECDHM CCCOc1ccc(CN2CCC[C@H](CS(C)(=O)=O)C2)c([O-])c1 ZINC000293908951 464424621 /nfs/dbraw/zinc/42/46/21/464424621.db2.gz LPLNEIDQIBCHSP-AWEZNQCLSA-N -1 3 341.473 2.438 20 10 EECDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)CC(F)(F)F ZINC000272269084 464544318 /nfs/dbraw/zinc/54/43/18/464544318.db2.gz RQXUDXVOPFIASH-UHFFFAOYSA-N -1 3 339.697 2.500 20 10 EECDHM C[C@@H](NCCS(=O)(=O)C(C)(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273467807 464716574 /nfs/dbraw/zinc/71/65/74/464716574.db2.gz JEJWYDBGMSZARM-SNVBAGLBSA-N -1 3 330.406 2.164 20 10 EECDHM [O-]c1cc(F)c(Cl)cc1CN1CCC[C@H]1CN1CCOCC1 ZINC000295216017 464748621 /nfs/dbraw/zinc/74/86/21/464748621.db2.gz BEPYDTWVXFUWEB-ZDUSSCGKSA-N -1 3 328.815 2.481 20 10 EECDHM CCCCN(Cc1ccccc1[O-])Cc1nc(N)nc(N(C)C)n1 ZINC000282366010 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O=c1cccc(CN2CCC23CN(Cc2c([O-])cccc2F)C3)[nH]1 ZINC001276354013 1213897688 /nfs/dbraw/zinc/89/76/88/1213897688.db2.gz CQKNGIKHIAOYSJ-UHFFFAOYSA-N -1 3 329.375 2.092 20 10 EECDHM COc1c(NC(=O)c2cccc(O)c2[O-])cc(Cl)cc1C(N)=O ZINC000803791159 1241827190 /nfs/dbraw/zinc/82/71/90/1241827190.db2.gz NDYKDIARNAEYIP-UHFFFAOYSA-N -1 3 336.731 2.111 20 10 EECDHM C[C@@H](CN(C)C)Oc1cc([O-])c(O)c2c1C(=O)c1ccccc1C2=O ZINC001229196578 1302666201 /nfs/dbraw/zinc/66/62/01/1302666201.db2.gz FUFXDDKKDIQZIT-JTQLQIEISA-N -1 3 341.363 2.202 20 10 EECDHM O=C(Nc1cccc(CN2CC[C@@H](O)C2)c1)c1c(F)ccc(O)c1[O-] ZINC000857267799 1293776043 /nfs/dbraw/zinc/77/60/43/1293776043.db2.gz PIRNPQSQATZBRN-CYBMUJFWSA-N -1 3 346.358 2.056 20 10 EECDHM [O-]c1ccc(Br)cc1CN1CCO[C@@H]2C[C@@H](CO)C[C@H]21 ZINC001203635693 1321929339 /nfs/dbraw/zinc/92/93/39/1321929339.db2.gz DSJVQMKVPVDWQX-PSOPSSQASA-N -1 3 342.233 2.126 20 10 EECDHM CN(C)C(=O)[C@@H]1CC12CN(Cc1cc(Br)ccc1[O-])C2 ZINC001277457725 1303237007 /nfs/dbraw/zinc/23/70/07/1303237007.db2.gz PHJHJTWXVWTLTN-LBPRGKRZSA-N -1 3 339.233 2.065 20 10 EECDHM COc1cc([O-])c(CN2CCN(c3ccncn3)CC2)cc1Cl ZINC001232267538 1304058286 /nfs/dbraw/zinc/05/82/86/1304058286.db2.gz DHXQGVUYYLJVKB-UHFFFAOYSA-N -1 3 334.807 2.166 20 10 EECDHM [O-]c1cc(I)ccc1CN1C[C@H]2CC[C@@H](C1)O2 ZINC001232974700 1304312233 /nfs/dbraw/zinc/31/22/33/1304312233.db2.gz QLCIQTLIGBIGHE-TXEJJXNPSA-N -1 3 345.180 2.360 20 10 EECDHM COc1cc([O-])c(CN2CCN(C[C@H]3CCCO3)CC2)c(Cl)c1 ZINC001236798820 1305678708 /nfs/dbraw/zinc/67/87/08/1305678708.db2.gz INKGXNQPKMUQBK-CYBMUJFWSA-N -1 3 340.851 2.351 20 10 EECDHM COC[C@@H]1COCCN1Cc1cc(Br)c(C)cc1[O-] ZINC001237683887 1306046306 /nfs/dbraw/zinc/04/63/06/1306046306.db2.gz DYZAUKGPLADMDD-GFCCVEGCSA-N -1 3 330.222 2.310 20 10 EECDHM CCOC(=O)[C@H]1CCN(Cc2c([O-])cccc2Cl)CCC1=O ZINC001140345285 1314875135 /nfs/dbraw/zinc/87/51/35/1314875135.db2.gz QZHIOYUBQXPDGA-NSHDSACASA-N -1 3 325.792 2.390 20 10 EECDHM NC(=O)c1ccc(NCc2cc(Cl)c3cccnc3c2[O-])nn1 ZINC001157723963 1318822512 /nfs/dbraw/zinc/82/25/12/1318822512.db2.gz GWNRNVCEPLBUNS-UHFFFAOYSA-N -1 3 329.747 2.095 20 10 EECDHM C[C@]12CN(Cc3ccc(Cl)cc3[O-])C[C@@]1(C)CS(=O)(=O)C2 ZINC001308931585 1331609797 /nfs/dbraw/zinc/60/97/97/1331609797.db2.gz ASZACKNPJSWCOM-GASCZTMLSA-N -1 3 329.849 2.302 20 10 EECDHM COc1c([O-])c(CN[C@@H](c2ncccn2)C2CC2)ccc1[N+](=O)[O-] ZINC001308948215 1331609755 /nfs/dbraw/zinc/60/97/55/1331609755.db2.gz DWXSDIPUVQCYPA-CYBMUJFWSA-N -1 3 330.344 2.340 20 10 EECDHM CNC(=O)Cc1ccccc1NCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC001339286332 1336985344 /nfs/dbraw/zinc/98/53/44/1336985344.db2.gz BVOHYARFCWVONX-UHFFFAOYSA-N -1 3 345.355 2.210 20 10 EECDHM COC[C@@H]1CN(Cc2c(O)c(C(=O)[O-])cc3ccccc32)C[C@H](C)O1 ZINC001610254543 1352195241 /nfs/dbraw/zinc/19/52/41/1352195241.db2.gz VCJNMFRBOCFTFN-JSGCOSHPSA-N -1 3 345.395 2.479 20 10 EECDHM CC[C@H]([NH2+]CCNc1ccccn1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590470977 1349344904 /nfs/dbraw/zinc/34/49/04/1349344904.db2.gz TVVUDHHRDCEEBQ-AWEZNQCLSA-N -1 3 339.403 2.120 20 10 EECDHM Oc1ccccc1CNc1cc(-c2nnn[n-]2)c(Br)cn1 ZINC001593539899 1349836036 /nfs/dbraw/zinc/83/60/36/1349836036.db2.gz HWQLSNCOMDTHAY-UHFFFAOYSA-N -1 3 347.176 2.342 20 10 EECDHM Oc1ccccc1CNc1cc(-c2nn[n-]n2)c(Br)cn1 ZINC001593539899 1349836040 /nfs/dbraw/zinc/83/60/40/1349836040.db2.gz HWQLSNCOMDTHAY-UHFFFAOYSA-N -1 3 347.176 2.342 20 10 EECDHM CN1CCc2cc(C=C3c4ccc(-c5nnn[n-]5)cc4NC3=O)ccc21 ZINC001604867557 1351022394 /nfs/dbraw/zinc/02/23/94/1351022394.db2.gz QYNJDDJAOJGBJX-OQLLNIDSSA-N -1 3 344.378 2.352 20 10 EECDHM CN1CCc2cc(C=C3c4ccc(-c5nn[n-]n5)cc4NC3=O)ccc21 ZINC001604867557 1351022397 /nfs/dbraw/zinc/02/23/97/1351022397.db2.gz QYNJDDJAOJGBJX-OQLLNIDSSA-N -1 3 344.378 2.352 20 10 EECDHM COCCC1(C[NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2[O-])CCC1 ZINC001605079547 1351074174 /nfs/dbraw/zinc/07/41/74/1351074174.db2.gz GFWFQVIBHGDRIS-LBPRGKRZSA-N -1 3 331.420 2.430 20 10 EECDHM O=C(NC1(c2cccc(-c3nn[n-]n3)c2)CC1)C1=CC(=O)CS1 ZINC001606639890 1351336048 /nfs/dbraw/zinc/33/60/48/1351336048.db2.gz AHHDQADGTJKANC-UHFFFAOYSA-N -1 3 327.369 2.053 20 10 EECDHM CCC1(O)CCC([NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2[O-])CC1 ZINC001590501551 1403881714 /nfs/dbraw/zinc/88/17/14/1403881714.db2.gz XWGOKAMHEJITFV-DLGFLZQMSA-N -1 3 331.420 2.307 20 10 EECDHM CCCCN(Cc1cc(F)cc(F)c1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000893895662 780295131 /nfs/dbraw/zinc/29/51/31/780295131.db2.gz IRXCHFPGEKNYTR-ZDUSSCGKSA-N -1 3 333.400 2.460 20 10 EECDHM COC(=O)[C@H](NCc1cc(F)ccc1[O-])[C@H]1CCC[C@@H](OC)C1 ZINC000846107337 790053042 /nfs/dbraw/zinc/05/30/42/790053042.db2.gz HRGGRAKKSVJCLA-SGIREYDYSA-N -1 3 325.380 2.368 20 10 EECDHM CN(C)C(=O)Oc1cccc(NC(=O)c2cc(O)c([O-])c(O)c2)c1 ZINC001148586672 792572916 /nfs/dbraw/zinc/57/29/16/792572916.db2.gz SMMAPGBQVDWGRY-UHFFFAOYSA-N -1 3 332.312 2.116 20 10 EECDHM C[C@H]1CN(C(=O)c2cc(O)c([O-])c(O)c2)[C@@H](c2ccccc2)CO1 ZINC001148587349 792573087 /nfs/dbraw/zinc/57/30/87/792573087.db2.gz HNFXQNSZDOTBMU-SMDDNHRTSA-N -1 3 329.352 2.406 20 10 EECDHM CC1(C)OC[C@@H](C(=O)NCc2cc(Cl)c3cccnc3c2[O-])O1 ZINC001181743985 800890197 /nfs/dbraw/zinc/89/01/97/800890197.db2.gz DWLJAFQFDBODPN-LBPRGKRZSA-N -1 3 336.775 2.362 20 10 EECDHM C[C@@H]([NH2+]CCNC(=O)c1ccccc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593271734 994606942 /nfs/dbraw/zinc/60/69/42/994606942.db2.gz MEYJJSOALTYRRW-GFCCVEGCSA-N -1 3 328.368 2.171 20 10 EECDHM CN(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1ccccc1[O-] ZINC000109770505 529830059 /nfs/dbraw/zinc/83/00/59/529830059.db2.gz IZRMDFOFVRKFTH-UHFFFAOYSA-N -1 3 341.367 2.322 20 10 EECDHM C[C@H]1CCC[C@@H](N(C)C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000093939785 237054122 /nfs/dbraw/zinc/05/41/22/237054122.db2.gz IZHCNBRJSBQKEY-WCQYABFASA-N -1 3 340.445 2.414 20 10 EECDHM Cc1ccccc1CN1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000192892561 237347194 /nfs/dbraw/zinc/34/71/94/237347194.db2.gz NXTNXHFFRNXYSM-UHFFFAOYSA-N -1 3 326.396 2.364 20 10 EECDHM CC[C@@H]1CCC[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000077632379 463014675 /nfs/dbraw/zinc/01/46/75/463014675.db2.gz IYYGVWIPYCZETG-NEPJUHHUSA-N -1 3 340.445 2.462 20 10 EECDHM CCCCC[C@@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000055184758 463293387 /nfs/dbraw/zinc/29/33/87/463293387.db2.gz ASFFIULXJMHFSA-LLVKDONJSA-N -1 3 328.434 2.462 20 10 EECDHM C[C@@H](c1cccnc1)N1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000170600257 463680954 /nfs/dbraw/zinc/68/09/54/463680954.db2.gz TUBSYABPTOWLSD-ZDUSSCGKSA-N -1 3 327.384 2.012 20 10 EECDHM Cc1ccc(CN2CCOCC2)cc1NC(=O)c1cccc(O)c1[O-] ZINC000185700448 463863238 /nfs/dbraw/zinc/86/32/38/463863238.db2.gz XFTWVBGJIXGXQO-UHFFFAOYSA-N -1 3 342.395 2.491 20 10 EECDHM CC(C)[C@H](C(=O)NCc1cccc(Br)c1[O-])N(C)C ZINC000277650257 463925013 /nfs/dbraw/zinc/92/50/13/463925013.db2.gz YXKRAQCOAKZZKD-GFCCVEGCSA-N -1 3 329.238 2.357 20 10 EECDHM CC[C@@H](NCCS(=O)(=O)NC)c1cc(Cl)cc(Cl)c1[O-] ZINC000287686008 463968911 /nfs/dbraw/zinc/96/89/11/463968911.db2.gz MYALINQFYURSRR-LLVKDONJSA-N -1 3 341.260 2.289 20 10 EECDHM O=C1CN(Cc2cc(Br)ccc2[O-])CN1CC1CC1 ZINC000279461505 464108135 /nfs/dbraw/zinc/10/81/35/464108135.db2.gz REXGTGPEAGHLDP-UHFFFAOYSA-N -1 3 325.206 2.166 20 10 EECDHM C[C@H](N[C@H]1COc2ccccc2[C@H]1O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000290156962 464109369 /nfs/dbraw/zinc/10/93/69/464109369.db2.gz CZXSTBPXMQRSBV-RMLVOYDJSA-N -1 3 330.340 2.446 20 10 EECDHM O=C(c1cccc(O)c1[O-])N1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000290462866 464119572 /nfs/dbraw/zinc/11/95/72/464119572.db2.gz CJDANBOLQUTHEO-LJQANCHMSA-N -1 3 345.370 2.304 20 10 EECDHM C[C@@H]1CN(Cc2cc(Br)ccc2[O-])C[C@@H](C)S1(=O)=O ZINC000290986810 464139785 /nfs/dbraw/zinc/13/97/85/464139785.db2.gz URIPVERCMOGIJV-NXEZZACHSA-N -1 3 348.262 2.162 20 10 EECDHM O=C(CN1CCN(Cc2cc(F)ccc2[O-])CC1)NC1CCCCC1 ZINC000180069350 464235469 /nfs/dbraw/zinc/23/54/69/464235469.db2.gz SESKDXFJTYGYIQ-UHFFFAOYSA-N -1 3 349.450 2.098 20 10 EECDHM [O-]c1c(Cl)cccc1CN(CCO)CCOCC(F)(F)F ZINC000180185212 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COc1cc(Cl)cc(CN2CCN(c3cnn(C)c3)CC2)c1[O-] ZINC000184693660 465019014 /nfs/dbraw/zinc/01/90/14/465019014.db2.gz WFVHXYYYUNNARB-UHFFFAOYSA-N -1 3 336.823 2.110 20 10 EECDHM Cc1ccc(C(=O)N2CC[C@](O)(c3ccc(F)cc3)C2)c([O-])c1O ZINC000367965407 466561686 /nfs/dbraw/zinc/56/16/86/466561686.db2.gz SRJVJSYQBKSFQI-GOSISDBHSA-N -1 3 331.343 2.279 20 10 EECDHM Cc1ccc(C(=O)N2CCCN(c3ncccc3F)CC2)c([O-])c1O ZINC000375541976 466846866 /nfs/dbraw/zinc/84/68/66/466846866.db2.gz RKNGDFNJZRRBSK-UHFFFAOYSA-N -1 3 345.374 2.293 20 10 EECDHM O=C(COC(=O)c1cc([O-])cs1)NCC1(c2ccccc2)CC1 ZINC000731909760 577132708 /nfs/dbraw/zinc/13/27/08/577132708.db2.gz JOCHWMDJZSLEID-UHFFFAOYSA-N -1 3 331.393 2.459 20 10 EECDHM CN(CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)Cc1ccccc1[O-] ZINC000732202961 577156188 /nfs/dbraw/zinc/15/61/88/577156188.db2.gz JZOTUVCEGZEPDE-UHFFFAOYSA-N -1 3 326.356 2.045 20 10 EECDHM CN1CCN(Cc2cc3c(cc2[O-])OC[C@H]3O)[C@@H](c2ccccc2)C1 ZINC000768439277 577555598 /nfs/dbraw/zinc/55/55/98/577555598.db2.gz 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1198699485 /nfs/dbraw/zinc/69/94/85/1198699485.db2.gz PATOZPWIPUNMCT-JTQLQIEISA-N -1 3 348.262 2.021 20 10 EECDHM Cc1ccc(CN2CCN(C(=O)c3ccccc3[O-])CC2)c(O)c1 ZINC000876614538 1199692761 /nfs/dbraw/zinc/69/27/61/1199692761.db2.gz PBUKHRWMERCVIA-UHFFFAOYSA-N -1 3 326.396 2.364 20 10 EECDHM CCOC(=O)N1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000158359670 1208395965 /nfs/dbraw/zinc/39/59/65/1208395965.db2.gz ZWOXEMVCEJCNDB-UHFFFAOYSA-N -1 3 343.221 2.429 20 10 EECDHM CC[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(C(=O)[O-])cc1[O-] ZINC001273706814 1283782840 /nfs/dbraw/zinc/78/28/40/1283782840.db2.gz LLWPTNYXPAXRIU-DAXOMENPSA-N -1 3 346.427 2.454 20 10 EECDHM CC[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(C(=O)[O-])cc1[O-] ZINC001273706814 1283782851 /nfs/dbraw/zinc/78/28/51/1283782851.db2.gz LLWPTNYXPAXRIU-DAXOMENPSA-N -1 3 346.427 2.454 20 10 EECDHM CC1CCN(c2ccc(CNC(=O)c3cc(=O)[n-]cn3)cc2)CC1 ZINC000859283291 1294374860 /nfs/dbraw/zinc/37/48/60/1294374860.db2.gz PGKRCOGLQMJZFI-UHFFFAOYSA-N -1 3 326.400 2.349 20 10 EECDHM C[C@H]1CN(Cc2c([O-])cccc2Br)CCS(=O)(=O)C1 ZINC000862347871 1295801960 /nfs/dbraw/zinc/80/19/60/1295801960.db2.gz SHDXJRRSICOPBU-JTQLQIEISA-N -1 3 348.262 2.021 20 10 EECDHM O=c1c2cc(O)c(O)cc2oc2cc([O-])cc(OC[C@H]3C[C@@H](O)C3)c12 ZINC001218436358 1297663645 /nfs/dbraw/zinc/66/36/45/1297663645.db2.gz PVBNBCISTQCSFE-DTORHVGOSA-N -1 3 344.319 2.213 20 10 EECDHM CCOC(=O)[C@@H]1CNCCN1Cc1cc(Cl)c(Cl)cc1[O-] ZINC001222081435 1299332087 /nfs/dbraw/zinc/33/20/87/1299332087.db2.gz WZJLDOYVLQANQQ-LBPRGKRZSA-N -1 3 333.215 2.036 20 10 EECDHM COCC(COC)Oc1c(O)c([O-])ccc1C(=O)c1ccccc1 ZINC001227938635 1302015737 /nfs/dbraw/zinc/01/57/37/1302015737.db2.gz XMNBOBGPFDZARD-UHFFFAOYSA-N -1 3 332.352 2.369 20 10 EECDHM O=C([O-])c1ccc(C[N@@H+]2C[C@@H]3C(=O)Nc4ccccc4[C@H]3C2)c([O-])c1 ZINC001231449264 1303799752 /nfs/dbraw/zinc/79/97/52/1303799752.db2.gz HZNRQZWQQXCBDC-CABCVRRESA-N -1 3 338.363 2.258 20 10 EECDHM O=C([O-])c1ccc(C[N@H+]2C[C@@H]3C(=O)Nc4ccccc4[C@H]3C2)c([O-])c1 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C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000736137677 578182804 /nfs/dbraw/zinc/18/28/04/578182804.db2.gz XWSXPRACYMZNOC-JTQLQIEISA-N -1 3 340.343 2.331 20 10 EECDHM COc1ccc(N2CCN(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000737098886 578237997 /nfs/dbraw/zinc/23/79/97/578237997.db2.gz HJEDJPGJBHOCTG-UHFFFAOYSA-N -1 3 336.399 2.202 20 10 EECDHM COc1ccc(N2CCN(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000737098886 578237998 /nfs/dbraw/zinc/23/79/98/578237998.db2.gz HJEDJPGJBHOCTG-UHFFFAOYSA-N -1 3 336.399 2.202 20 10 EECDHM O=C(CCCCN1CCOCC1)NCc1cccc(Cl)c1[O-] ZINC000890757565 675592181 /nfs/dbraw/zinc/59/21/81/675592181.db2.gz ICZNKJZYTWNWMY-UHFFFAOYSA-N -1 3 326.824 2.164 20 10 EECDHM CC[C@@H](C)N1CC[C@@]2(CCCN2C(=O)c2cccc(O)c2[O-])C1=O ZINC001269685967 1184511247 /nfs/dbraw/zinc/51/12/47/1184511247.db2.gz HZNQUGZSAQTBLT-XIKOKIGWSA-N -1 3 332.400 2.103 20 10 EECDHM CC[C@@H](C)N1C(=O)COCC12CN(Cc1cc(Cl)ccc1[O-])C2 ZINC001272629567 1190939859 /nfs/dbraw/zinc/93/98/59/1190939859.db2.gz OAJNOPYMVCVGQI-GFCCVEGCSA-N -1 3 338.835 2.257 20 10 EECDHM CC[C@H](C)N1C[C@@]2(F)CN(Cc3cc(F)ccc3[O-])C[C@@]2(F)C1=O ZINC001273284167 1197952299 /nfs/dbraw/zinc/95/22/99/1197952299.db2.gz GAHVBXHSPVGXCR-MZPVMMEZSA-N -1 3 342.361 2.404 20 10 EECDHM C[C@@H]1CN(Cc2ccc(Br)cc2[O-])CCS(=O)(=O)C1 ZINC000825698468 1198699516 /nfs/dbraw/zinc/69/95/16/1198699516.db2.gz PATOZPWIPUNMCT-SNVBAGLBSA-N -1 3 348.262 2.021 20 10 EECDHM NC(=O)CCNC(=O)c1ccc(NCc2c([O-])cccc2Cl)cc1 ZINC000814255643 1199400853 /nfs/dbraw/zinc/40/08/53/1199400853.db2.gz YHTDIJNPFICGBV-UHFFFAOYSA-N -1 3 347.802 2.263 20 10 EECDHM C[C@H](N[C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)c1c([O-])cccc1F ZINC000886575347 1202525946 /nfs/dbraw/zinc/52/59/46/1202525946.db2.gz QODDRHNJRDPARM-UHIISALHSA-N -1 3 332.379 2.109 20 10 EECDHM O=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1cccc(O)c1[O-] ZINC000188103226 1208614804 /nfs/dbraw/zinc/61/48/04/1208614804.db2.gz SGLBLFHXGDODFR-UHFFFAOYSA-N -1 3 337.339 2.339 20 10 EECDHM COc1ccccc1CN1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000188392110 1208697813 /nfs/dbraw/zinc/69/78/13/1208697813.db2.gz HKXWEOWLZKGTIP-UHFFFAOYSA-N -1 3 342.395 2.064 20 10 EECDHM O=S(=O)([N-]Cc1cccc(O)c1O)c1cnc(Cl)c(Cl)c1 ZINC001188088860 1279761257 /nfs/dbraw/zinc/76/12/57/1279761257.db2.gz UTWPFWVJUAEGPI-UHFFFAOYSA-N -1 3 349.195 2.278 20 10 EECDHM CC[C@H](C)N1CC[C@]2(CC[N@H+](Cc3cc(C(=O)[O-])ccc3[O-])C2)C1=O ZINC001273740441 1284523120 /nfs/dbraw/zinc/52/31/20/1284523120.db2.gz MXYQSSCGMNXSCC-DJJJIMSYSA-N -1 3 346.427 2.313 20 10 EECDHM CC[C@H](C)N1CC[C@]2(CC[N@@H+](Cc3cc(C(=O)[O-])ccc3[O-])C2)C1=O ZINC001273740441 1284523128 /nfs/dbraw/zinc/52/31/28/1284523128.db2.gz MXYQSSCGMNXSCC-DJJJIMSYSA-N -1 3 346.427 2.313 20 10 EECDHM O=C(NC1CC1)[C@@H]1CCCN1Cc1cccc(Br)c1[O-] ZINC000121482813 1284753244 /nfs/dbraw/zinc/75/32/44/1284753244.db2.gz KOWVQHZXINWMJW-ZDUSSCGKSA-N -1 3 339.233 2.398 20 10 EECDHM C[C@@H]1CCC(C)(C)N1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000854897731 1292985022 /nfs/dbraw/zinc/98/50/22/1292985022.db2.gz GQEAAEVLBPKFKM-SNVBAGLBSA-N -1 3 326.418 2.167 20 10 EECDHM [O-]c1c(O)cc(-c2nc(-c3ccc4c(c3)OCCO4)no2)cc1O ZINC001215327873 1296825852 /nfs/dbraw/zinc/82/58/52/1296825852.db2.gz YAEHLKAJMGKURU-UHFFFAOYSA-N -1 3 328.280 2.292 20 10 EECDHM CN(C)C(=O)[C@@]12C[C@@H]1CCN2Cc1cc(Br)ccc1[O-] ZINC001277456898 1303223259 /nfs/dbraw/zinc/22/32/59/1303223259.db2.gz JJQOFFBJODIGGT-XHDPSFHLSA-N -1 3 339.233 2.207 20 10 EECDHM CC(=O)N1CCCC[C@]12CCC[N@H+](Cc1ccc(C(=O)[O-])cc1[O-])C2 ZINC001231451345 1303800598 /nfs/dbraw/zinc/80/05/98/1303800598.db2.gz LYMAMQDYFIVVEB-LJQANCHMSA-N -1 3 346.427 2.457 20 10 EECDHM CC(=O)N1CCCC[C@]12CCC[N@@H+](Cc1ccc(C(=O)[O-])cc1[O-])C2 ZINC001231451345 1303800602 /nfs/dbraw/zinc/80/06/02/1303800602.db2.gz LYMAMQDYFIVVEB-LJQANCHMSA-N -1 3 346.427 2.457 20 10 EECDHM CC[C@@H]1[N@H+](Cc2cc(C(=O)[O-])ccc2[O-])CCC[C@]12CCC(=O)N2C ZINC001231563727 1303848354 /nfs/dbraw/zinc/84/83/54/1303848354.db2.gz MVXZORPPNKXVON-LPHOPBHVSA-N -1 3 346.427 2.456 20 10 EECDHM CC[C@@H]1[N@@H+](Cc2cc(C(=O)[O-])ccc2[O-])CCC[C@]12CCC(=O)N2C ZINC001231563727 1303848358 /nfs/dbraw/zinc/84/83/58/1303848358.db2.gz MVXZORPPNKXVON-LPHOPBHVSA-N -1 3 346.427 2.456 20 10 EECDHM C[C@H]1C[C@H](O)CCN1Cc1ccc(I)cc1[O-] ZINC001232977455 1304313755 /nfs/dbraw/zinc/31/37/55/1304313755.db2.gz BWGJBUIQRIWKDC-JOYOIKCWSA-N -1 3 347.196 2.342 20 10 EECDHM C[C@]1(O)CCCN(Cc2cccc(I)c2[O-])C1 ZINC001237780164 1306088117 /nfs/dbraw/zinc/08/81/17/1306088117.db2.gz NMIWDTADHKXFEM-ZDUSSCGKSA-N -1 3 347.196 2.344 20 10 EECDHM O=[N+]([O-])c1cccc(CS(=O)(=O)NCc2c([O-])cccc2F)c1 ZINC001309879586 1331646007 /nfs/dbraw/zinc/64/60/07/1331646007.db2.gz UUOANMWWCZIWDK-UHFFFAOYSA-N -1 3 340.332 2.059 20 10 EECDHM Cc1ccc(C(=O)OCc2ccc(-c3nnn[n-]3)c(C)c2)c(O)c1O ZINC001609402613 1351962588 /nfs/dbraw/zinc/96/25/88/1351962588.db2.gz MOXVNLGYKHTZMV-UHFFFAOYSA-N -1 3 340.339 2.252 20 10 EECDHM Cc1ccc(C(=O)OCc2ccc(-c3nn[n-]n3)c(C)c2)c(O)c1O ZINC001609402613 1351962592 /nfs/dbraw/zinc/96/25/92/1351962592.db2.gz MOXVNLGYKHTZMV-UHFFFAOYSA-N -1 3 340.339 2.252 20 10 EECDHM C[C@@H]([NH2+]CC1(O)CCCCCC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589978922 1349090300 /nfs/dbraw/zinc/09/03/00/1349090300.db2.gz SLVCCYOSZUQGKM-GFCCVEGCSA-N -1 3 331.420 2.308 20 10 EECDHM CCC(CC)[C@@H](O)C[NH2+][C@@H](CC)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590462891 1349338615 /nfs/dbraw/zinc/33/86/15/1349338615.db2.gz GMEFPCSPXJNGOS-GJZGRUSLSA-N -1 3 333.436 2.410 20 10 EECDHM C[C@H]([NH2+]C[C@@H]1Cc2ccccc2O1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603655868 1350734964 /nfs/dbraw/zinc/73/49/64/1350734964.db2.gz CFNFYLDHXFXBOB-AAEUAGOBSA-N -1 3 337.383 2.227 20 10 EECDHM CC[C@H]([NH2+]C[C@@H]1CCOC[C@@H]1C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604055559 1350841874 /nfs/dbraw/zinc/84/18/74/1350841874.db2.gz NOSGMVMUVDZEEQ-HUBLWGQQSA-N -1 3 331.420 2.286 20 10 EECDHM Cc1ccc(O)c(CNC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1 ZINC001605875621 1351243857 /nfs/dbraw/zinc/24/38/57/1351243857.db2.gz KBRUHULPRFJSQO-UHFFFAOYSA-N -1 3 345.309 2.089 20 10 EECDHM Cc1ccc(O)c(CNC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC001605875621 1351243860 /nfs/dbraw/zinc/24/38/60/1351243860.db2.gz KBRUHULPRFJSQO-UHFFFAOYSA-N -1 3 345.309 2.089 20 10 EECDHM COc1cc(C)c(C[N@@H+]2CCC[C@](O)(C3(C(=O)[O-])CCC3)C2)c([O-])c1 ZINC001607148444 1351437896 /nfs/dbraw/zinc/43/78/96/1351437896.db2.gz DLKOTGZRQGQRGA-LJQANCHMSA-N -1 3 349.427 2.291 20 10 EECDHM COc1cc(C)c(C[N@H+]2CCC[C@](O)(C3(C(=O)[O-])CCC3)C2)c([O-])c1 ZINC001607148444 1351437900 /nfs/dbraw/zinc/43/79/00/1351437900.db2.gz DLKOTGZRQGQRGA-LJQANCHMSA-N -1 3 349.427 2.291 20 10 EECDHM O=c1cc2c(n[nH]1)CCN(Cc1c([O-])cccc1Br)C2 ZINC000862332398 1369530052 /nfs/dbraw/zinc/53/00/52/1369530052.db2.gz UHGCUWBKHZSVQI-UHFFFAOYSA-N -1 3 336.189 2.209 20 10 EECDHM Cc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cn2)c([O-])c1O ZINC000780984993 1371181737 /nfs/dbraw/zinc/18/17/37/1371181737.db2.gz ANVRNIKWYPHKES-UHFFFAOYSA-N -1 3 327.340 2.180 20 10 EECDHM Cc1cc(F)c(-c2nnn[n-]2)cc1NC(=O)NCc1ccccc1O ZINC001591986217 1403980964 /nfs/dbraw/zinc/98/09/64/1403980964.db2.gz JDRJYQSOEULBNE-UHFFFAOYSA-N -1 3 342.334 2.342 20 10 EECDHM Cc1cc(F)c(-c2nn[n-]n2)cc1NC(=O)NCc1ccccc1O ZINC001591986217 1403980969 /nfs/dbraw/zinc/98/09/69/1403980969.db2.gz JDRJYQSOEULBNE-UHFFFAOYSA-N -1 3 342.334 2.342 20 10 EECDHM C[C@H](NC(=O)c1ccc(O)cc1[O-])c1ccc(N2CCOCC2)cc1 ZINC000920880735 770894010 /nfs/dbraw/zinc/89/40/10/770894010.db2.gz IMFADMIDGBTAFY-ZDUSSCGKSA-N -1 3 342.395 2.425 20 10 EECDHM COCCCNC(=O)C1CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000893970064 780352230 /nfs/dbraw/zinc/35/22/30/780352230.db2.gz YRRKTEYXQHHBFP-UHFFFAOYSA-N -1 3 342.386 2.035 20 10 EECDHM COc1ccc(N2CC[C@@H](CNC(=O)c3ccc(N)cc3[O-])C2)cc1 ZINC000818272401 785249874 /nfs/dbraw/zinc/24/98/74/785249874.db2.gz QDZRCASOGMVROX-ZDUSSCGKSA-N -1 3 341.411 2.239 20 10 EECDHM Cn1nccc1[C@H](NCc1ccc(N2CCCCC2)cc1)C(=O)[O-] ZINC000819163677 785439464 /nfs/dbraw/zinc/43/94/64/785439464.db2.gz MAORCCJKRCWFQB-KRWDZBQOSA-N -1 3 328.416 2.326 20 10 EECDHM NC(=O)c1ncc(NCc2cc(Cl)c3cccnc3c2[O-])cn1 ZINC001168523425 798402059 /nfs/dbraw/zinc/40/20/59/798402059.db2.gz OHVYRKBMSXURPH-UHFFFAOYSA-N -1 3 329.747 2.095 20 10 EECDHM Nc1cc(CC(=O)NCc2cc(Cl)c3cccnc3c2[O-])ccn1 ZINC001181264637 800732620 /nfs/dbraw/zinc/73/26/20/800732620.db2.gz KVGCRECHMNZFBX-UHFFFAOYSA-N -1 3 342.786 2.430 20 10 EECDHM C[C@@H]1CN(Cc2c([O-])ccc(Cl)c2F)CCN1CC(C)(C)O ZINC000792178439 809639689 /nfs/dbraw/zinc/63/96/89/809639689.db2.gz DOKWPJBQYIEQKH-LLVKDONJSA-N -1 3 330.831 2.462 20 10 EECDHM C[C@@H]([NH2+]C[C@H](O)C(F)(F)C(F)(F)F)c1cc(C(=O)[O-])ccc1[O-] ZINC001593249116 994476128 /nfs/dbraw/zinc/47/61/28/994476128.db2.gz WHOZJNJNFZAWKQ-LDWIPMOCSA-N -1 3 343.248 2.300 20 10 EECDHM C[C@@H]([NH2+]C[C@H]1CC[C@@]2(CO[C@H](C)C2)O1)c1cc(C(=O)[O-])ccc1[O-] ZINC001594285358 999105654 /nfs/dbraw/zinc/10/56/54/999105654.db2.gz RMXFKNHQWQYIDR-LZDVPDMXSA-N -1 3 335.400 2.468 20 10 EECDHM C[C@@H]1CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000063341679 462641467 /nfs/dbraw/zinc/64/14/67/462641467.db2.gz JLJQGLGYBCNDDA-LLVKDONJSA-N -1 3 326.418 2.026 20 10 EECDHM Cc1ccc([N-]S(=O)(=O)c2cccc3nonc32)c(CN(C)C)c1 ZINC000129268072 462699047 /nfs/dbraw/zinc/69/90/47/462699047.db2.gz WDBHRLFSOJPTPK-UHFFFAOYSA-N -1 3 346.412 2.394 20 10 EECDHM O=C(Nc1cccc(N2CCCC2)c1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000069968619 463360193 /nfs/dbraw/zinc/36/01/93/463360193.db2.gz DDJPNWASJOZSEV-UHFFFAOYSA-N -1 3 335.363 2.423 20 10 EECDHM CC(C)[C@@H](CNC(=O)c1cccc(O)c1[O-])NC(=O)OC(C)(C)C ZINC000279365884 464092071 /nfs/dbraw/zinc/09/20/71/464092071.db2.gz SZRIXGNVMWFOMC-GFCCVEGCSA-N -1 3 338.404 2.377 20 10 EECDHM Cc1cccc(N(CCC(N)=O)C(=O)/C=C/c2cncc([O-])c2)c1 ZINC000179465470 464141347 /nfs/dbraw/zinc/14/13/47/464141347.db2.gz KVUPFFSCZSBDIZ-AATRIKPKSA-N -1 3 325.368 2.017 20 10 EECDHM Cc1ccc(C(=O)N2CCN([C@H](C)C(F)(F)F)CC2)c([O-])c1O ZINC000179537110 464153782 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COc1cc(Cl)cc(CN(C)[C@@H](C)[C@H](C)S(C)(=O)=O)c1[O-] ZINC000184694406 465019305 /nfs/dbraw/zinc/01/93/05/465019305.db2.gz UDALOKNQPLMDFJ-UWVGGRQHSA-N -1 3 335.853 2.308 20 10 EECDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)[C@H]1CCOC1 ZINC000362181032 466607378 /nfs/dbraw/zinc/60/73/78/466607378.db2.gz UNNUSFGETZTVKT-SWLSCSKDSA-N -1 3 338.835 2.163 20 10 EECDHM COc1cc(N(C)C(=O)/C=C/c2cncc([O-])c2)cc(OC)c1OC ZINC000492523303 467663006 /nfs/dbraw/zinc/66/30/06/467663006.db2.gz WJYSXQFWZPOMCV-AATRIKPKSA-N -1 3 344.367 2.489 20 10 EECDHM COC(=O)c1ccc([O-])c([C@H]2Nc3ccc(OC)cc3C(=O)N2C)c1 ZINC000726797080 576300321 /nfs/dbraw/zinc/30/03/21/576300321.db2.gz ZXVBTGHYQAYOAG-INIZCTEOSA-N -1 3 342.351 2.384 20 10 EECDHM COc1cccc(CN(C)C(=O)COC(=O)c2cc([O-])cs2)c1 ZINC000732352612 577174491 /nfs/dbraw/zinc/17/44/91/577174491.db2.gz AIMMUAIMCIMYCS-UHFFFAOYSA-N -1 3 335.381 2.278 20 10 EECDHM Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cc([O-])cs1 ZINC000732353382 577174708 /nfs/dbraw/zinc/17/47/08/577174708.db2.gz GJORQLSJDMORND-UHFFFAOYSA-N -1 3 336.325 2.466 20 10 EECDHM COc1c([O-])c([C@H]2NC(=O)c3cccc(C)c3N2)ccc1[N+](=O)[O-] ZINC000772176123 577256050 /nfs/dbraw/zinc/25/60/50/577256050.db2.gz IJPYFAWAGJEUSC-OAHLLOKOSA-N -1 3 329.312 2.472 20 10 EECDHM CCn1cc(S(=O)(=O)[N-]Cc2ccc3c(c2)CCCN3C)nc1C ZINC000767252084 577533168 /nfs/dbraw/zinc/53/31/68/577533168.db2.gz OYMMTPZMSPJKJB-UHFFFAOYSA-N -1 3 348.472 2.072 20 10 EECDHM CCCCN(Cc1c([O-])cccc1OC)[C@@H]1CCS(=O)(=O)C1 ZINC000768170247 577551540 /nfs/dbraw/zinc/55/15/40/577551540.db2.gz MUHCPCJIGUFFNM-CYBMUJFWSA-N -1 3 327.446 2.190 20 10 EECDHM [O-]c1cc2c(cc1CN1CCO[C@H](c3ccccc3)C1)[C@H](O)CO2 ZINC000768442673 577555768 /nfs/dbraw/zinc/55/57/68/577555768.db2.gz YQDKUGWTRKSXHO-MJGOQNOKSA-N -1 3 327.380 2.392 20 10 EECDHM COc1cccc([O-])c1CN1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000769484751 577579050 /nfs/dbraw/zinc/57/90/50/577579050.db2.gz YJCOGIJDCJMLIG-UHFFFAOYSA-N -1 3 344.386 2.384 20 10 EECDHM C[C@@H](N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(C)(C)C ZINC000769667634 577582056 /nfs/dbraw/zinc/58/20/56/577582056.db2.gz QFGNGZAKWPJYBR-SNVBAGLBSA-N -1 3 328.434 2.270 20 10 EECDHM COc1cccc(CNC(=O)c2cc(OC)c([O-])c(OC)c2)c1O ZINC000764100546 577731162 /nfs/dbraw/zinc/73/11/62/577731162.db2.gz IXMLOFWOHHJFPU-UHFFFAOYSA-N -1 3 333.340 2.054 20 10 EECDHM CN1CCN(c2ccc(CNCc3ccc(C(=O)[O-])cc3)cc2)CC1 ZINC000756282943 577841450 /nfs/dbraw/zinc/84/14/50/577841450.db2.gz SZZMAUOMWKUTSM-UHFFFAOYSA-N -1 3 339.439 2.426 20 10 EECDHM CN(Cc1ccccc1O)C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000825981552 609288587 /nfs/dbraw/zinc/28/85/87/609288587.db2.gz URHFOVAEOHVHEB-UHFFFAOYSA-N -1 3 343.774 2.498 20 10 EECDHM CN(Cc1ccccc1O)C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000825981552 609288588 /nfs/dbraw/zinc/28/85/88/609288588.db2.gz URHFOVAEOHVHEB-UHFFFAOYSA-N -1 3 343.774 2.498 20 10 EECDHM [O-]c1cc(F)c(F)cc1CN1C[C@@H]2OCCN(Cc3ccc[nH]3)[C@H]2C1 ZINC001275773071 1205520701 /nfs/dbraw/zinc/52/07/01/1205520701.db2.gz 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O=C([O-])c1ccc(C[N@@H+]2CCCN(Cc3ccncc3)CC2)c([O-])c1 ZINC001231445905 1303798491 /nfs/dbraw/zinc/79/84/91/1303798491.db2.gz CLFCLIUHKZGTBM-UHFFFAOYSA-N -1 3 341.411 2.193 20 10 EECDHM O=C([O-])c1ccc(C[N@H+]2CCCN(Cc3ccncc3)CC2)c([O-])c1 ZINC001231445905 1303798496 /nfs/dbraw/zinc/79/84/96/1303798496.db2.gz CLFCLIUHKZGTBM-UHFFFAOYSA-N -1 3 341.411 2.193 20 10 EECDHM CC(C)(C)OC(=O)N[C@H]1CC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231449270 1303799829 /nfs/dbraw/zinc/79/98/29/1303799829.db2.gz IIHJINYOZDHNSQ-ZDUSSCGKSA-N -1 3 336.388 2.189 20 10 EECDHM CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231449270 1303799834 /nfs/dbraw/zinc/79/98/34/1303799834.db2.gz IIHJINYOZDHNSQ-ZDUSSCGKSA-N -1 3 336.388 2.189 20 10 EECDHM COC(=O)c1ccc2c(c1)CCN(Cc1cc(C(=O)[O-])ccc1O)C2 ZINC001231561629 1303846633 /nfs/dbraw/zinc/84/66/33/1303846633.db2.gz XCFVRSUMSDMWHI-UHFFFAOYSA-N -1 3 341.363 2.435 20 10 EECDHM COc1cc([O-])c(CN2CCC[C@@H](NC(=O)N(C)C)C2)c(Cl)c1 ZINC001236806268 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COC[C@H]1COCCN1Cc1cc(C)c(Br)cc1[O-] ZINC001250133682 1317217985 /nfs/dbraw/zinc/21/79/85/1317217985.db2.gz PIDDQRZEQOJHKV-LBPRGKRZSA-N -1 3 330.222 2.310 20 10 EECDHM O=S(=O)([N-]CCc1ccc(O)c(O)c1)c1ccc(Cl)cc1F ZINC001259513735 1319605794 /nfs/dbraw/zinc/60/57/94/1319605794.db2.gz FZNXHXCCOXYAFI-UHFFFAOYSA-N -1 3 345.779 2.411 20 10 EECDHM [O-]c1ccc(Cl)cc1CN1CCOC[C@@](O)(C(F)(F)F)C1 ZINC001203650779 1321932512 /nfs/dbraw/zinc/93/25/12/1321932512.db2.gz BPZCKRXTKLRIMW-GFCCVEGCSA-N -1 3 325.714 2.171 20 10 EECDHM CCOc1ccc(N2CCN(Cc3nc(CC)cc(=O)[n-]3)CC2)cc1 ZINC001319714770 1332748954 /nfs/dbraw/zinc/74/89/54/1332748954.db2.gz MAYQUJUDNYHDJT-UHFFFAOYSA-N -1 3 342.443 2.466 20 10 EECDHM COc1ccccc1[C@@H](CO)N[C@H](C)c1cc(C(=O)[O-])ccc1O ZINC001610365385 1352211510 /nfs/dbraw/zinc/21/15/10/1352211510.db2.gz QZQSNHZWEPQMOO-IAQYHMDHSA-N -1 3 331.368 2.483 20 10 EECDHM CCC(CC)[C@@H](O)C[NH2+][C@H](CC)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590462890 1349339013 /nfs/dbraw/zinc/33/90/13/1349339013.db2.gz 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EECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H]3CCC[C@H]32)c1 ZINC000091682088 533420678 /nfs/dbraw/zinc/42/06/78/533420678.db2.gz UDFRPDYWCJCFTG-SMDDNHRTSA-N -1 3 338.429 2.168 20 10 EECDHM COc1ccc(CN(C)C(=O)CN(C)Cc2ccccc2[O-])cc1 ZINC000114721358 533521048 /nfs/dbraw/zinc/52/10/48/533521048.db2.gz LVYDVVQAKHCTMN-UHFFFAOYSA-N -1 3 328.412 2.491 20 10 EECDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2ncnn2C(C)(C)C)c1 ZINC000282799011 464954589 /nfs/dbraw/zinc/95/45/89/464954589.db2.gz QQJGHRAHIVQAOT-NSHDSACASA-N -1 3 332.404 2.376 20 10 EECDHM NC(=O)CC1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000159715386 463301614 /nfs/dbraw/zinc/30/16/14/463301614.db2.gz FMYUORQEDLAELL-UHFFFAOYSA-N -1 3 327.222 2.242 20 10 EECDHM COc1c([O-])c(CNCc2cccc(N(C)C)n2)ccc1[N+](=O)[O-] ZINC000278462575 463966264 /nfs/dbraw/zinc/96/62/64/463966264.db2.gz FILDVYQCMTYDOF-UHFFFAOYSA-N -1 3 332.360 2.060 20 10 EECDHM CC(=O)c1cc(F)cc(CN2CC[C@@H](N3CCOCC3)[C@H]2C)c1[O-] ZINC000289696665 464090177 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CN(C)c1ccc2c(c1)OCCN2C(=O)/C=C/c1cncc([O-])c1 ZINC000182064365 464563877 /nfs/dbraw/zinc/56/38/77/464563877.db2.gz UCRSTWUQFGMYIF-ZZXKWVIFSA-N -1 3 325.368 2.292 20 10 EECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C1=COCCO1 ZINC000175842245 464640059 /nfs/dbraw/zinc/64/00/59/464640059.db2.gz CGDMJWBMXFLPLI-UHFFFAOYSA-N -1 3 342.189 2.391 20 10 EECDHM CS(=O)(=O)[C@H]1CCCN(Cc2cc(Br)ccc2[O-])C1 ZINC000274131336 464735490 /nfs/dbraw/zinc/73/54/90/464735490.db2.gz PBOXERCMOOALJE-LBPRGKRZSA-N -1 3 348.262 2.164 20 10 EECDHM C[C@H](N[C@@H](C)c1ccc(Br)cc1[O-])C(=O)NCCF ZINC000282770533 464941194 /nfs/dbraw/zinc/94/11/94/464941194.db2.gz OWNUTCRNXCJOEZ-IUCAKERBSA-N -1 3 333.201 2.280 20 10 EECDHM Cc1ccc(C(=O)N2CCSC[C@@H]2c2cnn(C)c2)c([O-])c1O ZINC000192005027 534262558 /nfs/dbraw/zinc/26/25/58/534262558.db2.gz OANJGUOLOGNDEG-CYBMUJFWSA-N -1 3 333.413 2.070 20 10 EECDHM CC1CCC(C)(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000094081734 528172454 /nfs/dbraw/zinc/17/24/54/528172454.db2.gz 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CC(C)(C)OC(=O)[C@H]1CN(Cc2c([O-])ccc3ccncc32)CCO1 ZINC000747466060 577944916 /nfs/dbraw/zinc/94/49/16/577944916.db2.gz JBSSMUAKJDZZQE-QGZVFWFLSA-N -1 3 344.411 2.483 20 10 EECDHM COc1cccc(CNCc2ccc(-c3nnn[n-]3)cc2F)c1O ZINC000737132334 578240006 /nfs/dbraw/zinc/24/00/06/578240006.db2.gz KCVSKXQIDUYBIY-UHFFFAOYSA-N -1 3 329.335 2.010 20 10 EECDHM CN(C[C@@H]1CCCN(C)C1)c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000737515697 578261906 /nfs/dbraw/zinc/26/19/06/578261906.db2.gz UZFWPTBQKODEOW-IZPAUZPXSA-N -1 3 333.388 2.471 20 10 EECDHM Cn1cc([C@H]2C[S@@](=O)CCN2Cc2cc(Cl)ccc2[O-])cn1 ZINC000895376353 684560067 /nfs/dbraw/zinc/56/00/67/684560067.db2.gz YDOHNTJEAYXMNG-PEBXRYMYSA-N -1 3 339.848 2.085 20 10 EECDHM O=C1Cc2c(ncnc2NCc2cc(Cl)c3cccnc3c2[O-])N1 ZINC001168527169 1192664199 /nfs/dbraw/zinc/66/41/99/1192664199.db2.gz FAWRIRHVTQHHKB-UHFFFAOYSA-N -1 3 341.758 2.491 20 10 EECDHM CC[C@H](C)NC(=O)[C@@H]1CC12CCN(C(=O)c1cccc(O)c1[O-])CC2 ZINC001269685712 1184509522 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EECDHM O=C(NC1CCN(C(=O)c2cccc(O)c2[O-])CC1)c1ccsc1 ZINC000188280433 464242312 /nfs/dbraw/zinc/24/23/12/464242312.db2.gz WELMARMPYPDNFL-UHFFFAOYSA-N -1 3 346.408 2.194 20 10 EECDHM O=C(N[C@@H]1CCN(c2ccccc2Cl)C1=O)c1cccc(O)c1[O-] ZINC000188463747 464286551 /nfs/dbraw/zinc/28/65/51/464286551.db2.gz AWXWLXFBGKGBIJ-GFCCVEGCSA-N -1 3 346.770 2.287 20 10 EECDHM O=C(CCCNC(=O)c1cccc(O)c1[O-])N1Cc2ccccc2C1 ZINC000188470603 464289200 /nfs/dbraw/zinc/28/92/00/464289200.db2.gz XASBWHQVWHGOBG-UHFFFAOYSA-N -1 3 340.379 2.150 20 10 EECDHM CC(C)[C@H]1CCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000271326675 464291636 /nfs/dbraw/zinc/29/16/36/464291636.db2.gz ZDVYAXGEUPTSLJ-CYBMUJFWSA-N -1 3 326.418 2.024 20 10 EECDHM CCn1nc(C)c(CN(Cc2ccccc2[O-])C[C@@H]2CCCO2)n1 ZINC000294496418 464517005 /nfs/dbraw/zinc/51/70/05/464517005.db2.gz AQSCTUHBWFBSSP-INIZCTEOSA-N -1 3 330.432 2.493 20 10 EECDHM CNS(=O)(=O)c1cccc(CN[C@H](C)c2ccc(F)cc2[O-])c1 ZINC000273406774 464715308 /nfs/dbraw/zinc/71/53/08/464715308.db2.gz 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EECDHM COC(=O)c1ccc([O-])c([C@H](C)NCC(=O)NCc2ccccc2)c1 ZINC000756476450 577844740 /nfs/dbraw/zinc/84/47/40/577844740.db2.gz PKAHTGAPGYOICO-ZDUSSCGKSA-N -1 3 342.395 2.146 20 10 EECDHM CC[C@H](C)N1CC[C@]2(CCCN2C(=O)c2cccc(O)c2[O-])C1=O ZINC001269685964 1184511019 /nfs/dbraw/zinc/51/10/19/1184511019.db2.gz HZNQUGZSAQTBLT-KPZWWZAWSA-N -1 3 332.400 2.103 20 10 EECDHM Cc1cc(=O)oc2c1ccc([O-])c2CN1CCC[C@]12CCN(C)C2=O ZINC001273003889 1194310395 /nfs/dbraw/zinc/31/03/95/1194310395.db2.gz CGOMYJSNJOZOPQ-LJQANCHMSA-N -1 3 342.395 2.004 20 10 EECDHM CC1(C)CS(=O)(=O)CCN1Cc1ccc(Br)cc1[O-] ZINC000825878480 1199625594 /nfs/dbraw/zinc/62/55/94/1199625594.db2.gz OYYDVASFLPQHQJ-UHFFFAOYSA-N -1 3 348.262 2.164 20 10 EECDHM CN(C)C(=O)O[C@H]1CCN(Cc2ccc(Br)cc2[O-])C1 ZINC000826037197 1200445494 /nfs/dbraw/zinc/44/54/94/1200445494.db2.gz XSRXWCAJIMGRQA-LBPRGKRZSA-N -1 3 343.221 2.427 20 10 EECDHM O=C1N(C2COC2)CC[C@@]12CCCN2Cc1cccc(Cl)c1[O-] ZINC001274227197 1204885456 /nfs/dbraw/zinc/88/54/56/1204885456.db2.gz DPFXWGIPNBWDSF-KRWDZBQOSA-N -1 3 336.819 2.011 20 10 EECDHM [O-]c1cccc(Cl)c1CN1C[C@@H]2CN(Cc3ccc[nH]3)C[C@H](C1)O2 ZINC001275217758 1205283983 /nfs/dbraw/zinc/28/39/83/1205283983.db2.gz ZDBMWMGERXIKPE-GASCZTMLSA-N -1 3 347.846 2.459 20 10 EECDHM C[C@@H](c1ccco1)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000093939830 1214978619 /nfs/dbraw/zinc/97/86/19/1214978619.db2.gz DXKXNTKDLQGAHU-JTQLQIEISA-N -1 3 338.385 2.190 20 10 EECDHM CC(=O)c1cc(F)cc(CN2CCC[C@@H](S(C)(=O)=O)CC2)c1[O-] ZINC000800456501 1234158830 /nfs/dbraw/zinc/15/88/30/1234158830.db2.gz FVNOXNOUKAGKSO-CQSZACIVSA-N -1 3 343.420 2.133 20 10 EECDHM C[C@@H](NCc1c([O-])cccc1Br)c1nnnn1C1CC1 ZINC000858160484 1294027893 /nfs/dbraw/zinc/02/78/93/1294027893.db2.gz KZKOVKSBTNDVIG-MRVPVSSYSA-N -1 3 338.209 2.327 20 10 EECDHM O=C([O-])c1ccc(C[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)c([O-])c1 ZINC001231447248 1303798597 /nfs/dbraw/zinc/79/85/97/1303798597.db2.gz QMRYUZOXUBYFTE-CQSZACIVSA-N -1 3 333.306 2.370 20 10 EECDHM O=C([O-])c1ccc(C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)c([O-])c1 ZINC001231447248 1303798605 /nfs/dbraw/zinc/79/86/05/1303798605.db2.gz QMRYUZOXUBYFTE-CQSZACIVSA-N -1 3 333.306 2.370 20 10 EECDHM O=C([O-])c1ccc(C[N@@H+]2CCC[C@H](C(=O)N3CCCCC3)C2)c([O-])c1 ZINC001231451676 1303800530 /nfs/dbraw/zinc/80/05/30/1303800530.db2.gz PLHWWMNSFMLXRA-INIZCTEOSA-N -1 3 346.427 2.315 20 10 EECDHM O=C([O-])c1ccc(C[N@H+]2CCC[C@H](C(=O)N3CCCCC3)C2)c([O-])c1 ZINC001231451676 1303800532 /nfs/dbraw/zinc/80/05/32/1303800532.db2.gz PLHWWMNSFMLXRA-INIZCTEOSA-N -1 3 346.427 2.315 20 10 EECDHM COC[C@H]1CN(Cc2cc(Cl)c(C)cc2[O-])Cc2nnn(C)c21 ZINC001231868048 1303934088 /nfs/dbraw/zinc/93/40/88/1303934088.db2.gz POXKVAFRSWATJP-GFCCVEGCSA-N -1 3 336.823 2.228 20 10 EECDHM COc1cc([O-])c(CN2C[C@@H](OC)[C@@H](OC)C2)c(Br)c1 ZINC001237063521 1305784653 /nfs/dbraw/zinc/78/46/53/1305784653.db2.gz SRIXVRXFTWYTSH-OKILXGFUSA-N -1 3 346.221 2.009 20 10 EECDHM CCNC(=O)[C@@H]1CCCN1Cc1c([O-])cccc1Br ZINC001140102347 1314811505 /nfs/dbraw/zinc/81/15/05/1314811505.db2.gz MXXRIYVLCAMADO-LBPRGKRZSA-N -1 3 327.222 2.255 20 10 EECDHM Cc1cc(CN2CCN(C)C(=O)[C@@H]2C)c([O-])cc1Br ZINC001250133125 1317217995 /nfs/dbraw/zinc/21/79/95/1317217995.db2.gz IVGYXLZOKRYBIR-JTQLQIEISA-N -1 3 327.222 2.126 20 10 EECDHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C(C)=O)c2)cc1 ZINC001251837967 1317506591 /nfs/dbraw/zinc/50/65/91/1317506591.db2.gz ABHMJADVIYAJQJ-UHFFFAOYSA-N -1 3 348.380 2.354 20 10 EECDHM COc1cccc(CC[NH2+][C@H](C)c2cccc(-c3nn[n-]n3)c2[O-])c1 ZINC001605317670 1351134532 /nfs/dbraw/zinc/13/45/32/1351134532.db2.gz UBXFBIRNRNHCGM-GFCCVEGCSA-N -1 3 339.399 2.474 20 10 EECDHM C[C@H]([NH2+][C@@H]1CCN(c2ccccn2)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609779668 1352083834 /nfs/dbraw/zinc/08/38/34/1352083834.db2.gz QQRVTGFBBRSKSV-GXTWGEPZSA-N -1 3 327.384 2.415 20 10 EECDHM O=C(C=Cc1cccnc1)N1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001581956425 1344688721 /nfs/dbraw/zinc/68/87/21/1344688721.db2.gz XFAUPZNEZDTFQF-YVMONPNESA-N -1 3 332.367 2.254 20 10 EECDHM O=C(C=Cc1cccnc1)N1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001581956425 1344688725 /nfs/dbraw/zinc/68/87/25/1344688725.db2.gz XFAUPZNEZDTFQF-YVMONPNESA-N -1 3 332.367 2.254 20 10 EECDHM C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589951354 1349075497 /nfs/dbraw/zinc/07/54/97/1349075497.db2.gz CIZBJVLCTSMFHT-FFFUXKDYSA-N -1 3 329.404 2.036 20 10 EECDHM C[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CCOCC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603665063 1350737767 /nfs/dbraw/zinc/73/77/67/1350737767.db2.gz XZEJUUQVJPOAOO-FFSVYQOJSA-N -1 3 343.431 2.286 20 10 EECDHM c1cc(N2CCOCC2)ccc1CNc1ccc(-c2nn[n-]n2)cc1 ZINC001607119569 1351426417 /nfs/dbraw/zinc/42/64/17/1351426417.db2.gz HGXJQRPAWSYETK-UHFFFAOYSA-N -1 3 336.399 2.315 20 10 EECDHM C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1CCCCC1 ZINC000175321777 773563591 /nfs/dbraw/zinc/56/35/91/773563591.db2.gz CHBWQJKLYFKBCL-NSHDSACASA-N -1 3 340.445 2.462 20 10 EECDHM CC(C)(C)OC(=O)N1C[C@H]2[C@H]1CCCN2C(=O)c1cccc(O)c1[O-] ZINC001148212016 792245865 /nfs/dbraw/zinc/24/58/65/792245865.db2.gz IBVISUVABGYNQK-OLZOCXBDSA-N -1 3 348.399 2.322 20 10 EECDHM O=C(Nc1ccccc1)N1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC001148213493 792247319 /nfs/dbraw/zinc/24/73/19/792247319.db2.gz CYMWMNOULQKHIS-UHFFFAOYSA-N -1 3 341.367 2.088 20 10 EECDHM COCCn1cc(NCc2cc3ccccc3cc2[O-])ncc1=O ZINC001171407251 795041107 /nfs/dbraw/zinc/04/11/07/795041107.db2.gz MRBFJXMXWAIJRT-UHFFFAOYSA-N -1 3 325.368 2.361 20 10 EECDHM NC(=O)S(=O)(=O)c1ccc([O-])c(Nc2ccnc3ccccc32)c1 ZINC001174039695 797688541 /nfs/dbraw/zinc/68/85/41/797688541.db2.gz YARQMDOSPYAJIZ-UHFFFAOYSA-N -1 3 343.364 2.372 20 10 EECDHM CC(C)[C@H](C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-])N1CCOCC1 ZINC001593239101 994420800 /nfs/dbraw/zinc/42/08/00/994420800.db2.gz BVACBJDDCOBCAD-BBRMVZONSA-N -1 3 336.432 2.098 20 10 EECDHM C[C@@H]([NH2+]CCCNCc1cccnc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593267003 994584129 /nfs/dbraw/zinc/58/41/29/994584129.db2.gz IOSSCFOQUOGHKU-CYBMUJFWSA-N -1 3 329.400 2.316 20 10 EECDHM COc1cc(Cl)cc(C[NH2+][C@H](CC2CCOCC2)C(=O)[O-])c1[O-] ZINC001599420717 997590006 /nfs/dbraw/zinc/59/00/06/997590006.db2.gz QEMZWNMJCOHLRK-CYBMUJFWSA-N -1 3 343.807 2.414 20 10 EECDHM COc1ccc([C@H](NCc2ccc(N(C)C)cc2)C(=O)[O-])cc1O ZINC001599533285 997697926 /nfs/dbraw/zinc/69/79/26/997697926.db2.gz YXHVHECKHABBEL-KRWDZBQOSA-N -1 3 330.384 2.382 20 10 EECDHM COc1cc(Br)cc(C[N@@H+]2CC[C@@](C)(C(=O)[O-])C2)c1[O-] ZINC001599346591 998016942 /nfs/dbraw/zinc/01/69/42/998016942.db2.gz KJZPUVBTOIJFEK-CQSZACIVSA-N -1 3 344.205 2.460 20 10 EECDHM COc1cc(Br)cc(C[N@H+]2CC[C@@](C)(C(=O)[O-])C2)c1[O-] ZINC001599346591 998016957 /nfs/dbraw/zinc/01/69/57/998016957.db2.gz KJZPUVBTOIJFEK-CQSZACIVSA-N -1 3 344.205 2.460 20 10 EECDHM CC(=O)c1cc(F)cc(CN2CCCN(C(=O)C3CC3)CC2)c1[O-] ZINC000121582134 463161707 /nfs/dbraw/zinc/16/17/07/463161707.db2.gz DWPJTVMFUFWZFU-UHFFFAOYSA-N -1 3 334.391 2.178 20 10 EECDHM Cc1ccc(C(=O)NCc2ccc(N3CCCC3)nc2)c([O-])c1O ZINC000177669894 463761621 /nfs/dbraw/zinc/76/16/21/463761621.db2.gz MWQUNICFAVIJPG-UHFFFAOYSA-N -1 3 327.384 2.331 20 10 EECDHM C[C@H]1C[C@@H](NC(=O)c2cccc(O)c2[O-])C(=O)N1c1ccccc1 ZINC000185747691 463872773 /nfs/dbraw/zinc/87/27/73/463872773.db2.gz INTVMNPIYWGMNX-SMDDNHRTSA-N -1 3 326.352 2.022 20 10 EECDHM COCC[C@@H](C)N1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277766591 463930188 /nfs/dbraw/zinc/93/01/88/463930188.db2.gz KDCIPZYRUCUEKT-SNVBAGLBSA-N -1 3 326.780 2.235 20 10 EECDHM CN(C)c1ncc(CNCc2cccc(Br)c2[O-])cn1 ZINC000278324028 463961584 /nfs/dbraw/zinc/96/15/84/463961584.db2.gz GLILMHURTUHQHE-UHFFFAOYSA-N -1 3 337.221 2.301 20 10 EECDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2ccc(NC(C)=O)nc2)c1 ZINC000279207840 464064196 /nfs/dbraw/zinc/06/41/96/464064196.db2.gz XWTBVUKCGMNXLB-NSHDSACASA-N -1 3 343.383 2.383 20 10 EECDHM CN(C[C@@H]1CCCN(Cc2cccc(Cl)c2[O-])C1)S(C)(=O)=O ZINC000289331154 464074045 /nfs/dbraw/zinc/07/40/45/464074045.db2.gz GVJOEEBAOVBWNA-LBPRGKRZSA-N -1 3 346.880 2.149 20 10 EECDHM Cc1ccc(C(=O)NCC2CCN(CC(F)(F)F)CC2)c([O-])c1O ZINC000186993263 464088779 /nfs/dbraw/zinc/08/87/79/464088779.db2.gz YIPMMHHRUBCECX-UHFFFAOYSA-N -1 3 346.349 2.410 20 10 EECDHM CCS(=O)(=O)N(C)C1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000180186999 464261386 /nfs/dbraw/zinc/26/13/86/464261386.db2.gz DSSBJBVIWDNJSA-UHFFFAOYSA-N -1 3 346.880 2.292 20 10 EECDHM Cc1cc(Br)cc(CN2CCS(=O)(=O)C[C@@H]2C)c1[O-] ZINC000180313044 464285510 /nfs/dbraw/zinc/28/55/10/464285510.db2.gz VBHBDPITZXFEPY-JTQLQIEISA-N -1 3 348.262 2.082 20 10 EECDHM CC[C@@H]1CCC[C@@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000271420312 464306899 /nfs/dbraw/zinc/30/68/99/464306899.db2.gz OUQQNHGERQMTGU-MFKMUULPSA-N -1 3 326.418 2.072 20 10 EECDHM O=C1NCCCN(Cc2cc(F)ccc2[O-])[C@@H]1Cc1ccccc1 ZINC000293689035 464417340 /nfs/dbraw/zinc/41/73/40/464417340.db2.gz QMEPRYAGRHHRCR-QGZVFWFLSA-N -1 3 328.387 2.465 20 10 EECDHM CC(=O)c1cc(F)cc(CN2CCN(CC(C)(C)O)[C@@H](C)C2)c1[O-] ZINC000189949697 464569596 /nfs/dbraw/zinc/56/95/96/464569596.db2.gz VSJJUFWKSQMSQL-LBPRGKRZSA-N -1 3 338.423 2.011 20 10 EECDHM Cc1nc(N2CCN(C(=O)c3ccc(C)c(O)c3[O-])CC2)sc1C ZINC000182899790 464753277 /nfs/dbraw/zinc/75/32/77/464753277.db2.gz VLYVEQOSMVBKRC-UHFFFAOYSA-N -1 3 347.440 2.442 20 10 EECDHM CNC(=O)NC(=O)CN(Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000176679781 464824039 /nfs/dbraw/zinc/82/40/39/464824039.db2.gz BMEMEFDLKMOSFP-AWEZNQCLSA-N -1 3 341.411 2.411 20 10 EECDHM COc1cc(Cl)cc(CN2CCO[C@@H]([C@@H]3CCCO3)C2)c1[O-] ZINC000184702453 465020066 /nfs/dbraw/zinc/02/00/66/465020066.db2.gz VBJKEQQRGZDDSG-DZGCQCFKSA-N -1 3 327.808 2.434 20 10 EECDHM CCn1nncc1CNCc1cc(C)cc(Br)c1[O-] ZINC000527730213 467664435 /nfs/dbraw/zinc/66/44/35/467664435.db2.gz RZIDWCBSJLMPAZ-UHFFFAOYSA-N -1 3 325.210 2.364 20 10 EECDHM O=C(NCc1cccc(CN2CCOCC2)c1)c1cc([O-])cs1 ZINC000731870497 577129363 /nfs/dbraw/zinc/12/93/63/577129363.db2.gz JJKAOTJXFXPVPN-UHFFFAOYSA-N -1 3 332.425 2.216 20 10 EECDHM CC(C)COC(=O)N1CCCN(C(=O)c2cc([O-])cs2)CC1 ZINC000731872856 577129853 /nfs/dbraw/zinc/12/98/53/577129853.db2.gz GSINGMTVLMITRY-UHFFFAOYSA-N -1 3 326.418 2.394 20 10 EECDHM O=C(COC(=O)c1cc([O-])cs1)Nc1ccc2c(c1)OCCCO2 ZINC000731910178 577132962 /nfs/dbraw/zinc/13/29/62/577132962.db2.gz NJGLEMPUXZNCDF-UHFFFAOYSA-N -1 3 349.364 2.411 20 10 EECDHM CC(=O)c1cc(F)cc(CN[C@H](C(=O)N2CCCC2)C(C)C)c1[O-] ZINC000775426249 577437128 /nfs/dbraw/zinc/43/71/28/577437128.db2.gz DBHVCHZJHJCGHM-INIZCTEOSA-N -1 3 336.407 2.471 20 10 EECDHM O=C(Nc1cccc(N2CCCNC2=O)c1)c1cccc(O)c1[O-] ZINC000776348737 577458070 /nfs/dbraw/zinc/45/80/70/577458070.db2.gz QLUVSVLRBJEUGF-UHFFFAOYSA-N -1 3 327.340 2.270 20 10 EECDHM CC(=O)c1cc([O-])ccc1NS(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000766047442 577511786 /nfs/dbraw/zinc/51/17/86/577511786.db2.gz ISPHCDJCJTUOAR-QWRGUYRKSA-N -1 3 326.418 2.229 20 10 EECDHM CCS(=O)(=O)C1CCN(Cc2c([O-])ccc3ccncc32)CC1 ZINC000766666514 577523010 /nfs/dbraw/zinc/52/30/10/577523010.db2.gz OSMNGIVRUMFAHS-UHFFFAOYSA-N -1 3 334.441 2.340 20 10 EECDHM CC(C)(C)OC(=O)NCCN(CCO)Cc1c([O-])cccc1Cl ZINC000768535023 577558012 /nfs/dbraw/zinc/55/80/12/577558012.db2.gz IYGZJFAEIQVHCC-UHFFFAOYSA-N -1 3 344.839 2.365 20 10 EECDHM CCOc1cc(NC2CCN(C(=O)c3cc([O-])cs3)CC2)ncn1 ZINC000768736220 577561647 /nfs/dbraw/zinc/56/16/47/577561647.db2.gz FIURGBKSGLOUBC-UHFFFAOYSA-N -1 3 348.428 2.359 20 10 EECDHM CC(C)N(CC1CC1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769686195 577582279 /nfs/dbraw/zinc/58/22/79/577582279.db2.gz WLHRJRBZYVDKKB-UHFFFAOYSA-N -1 3 326.418 2.024 20 10 EECDHM CN(C)c1ccc(CN(C)C(=O)c2cc3n[n-]nc3cc2F)cc1 ZINC000753780217 577793278 /nfs/dbraw/zinc/79/32/78/577793278.db2.gz MNTWNRYPWHBNRS-UHFFFAOYSA-N -1 3 327.363 2.435 20 10 EECDHM C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)c1cc([O-])cs1 ZINC000743505026 577886544 /nfs/dbraw/zinc/88/65/44/577886544.db2.gz PRJZYUNLGBGQOA-CQSZACIVSA-N -1 3 345.468 2.394 20 10 EECDHM CCOc1cccc(CNCc2ccc(-c3nnn[n-]3)cc2F)c1O ZINC000736654332 578216722 /nfs/dbraw/zinc/21/67/22/578216722.db2.gz KFSNHJWCNQVRFV-UHFFFAOYSA-N -1 3 343.362 2.400 20 10 EECDHM c1[nH]c2ncccc2c1C1=CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000819718609 606033361 /nfs/dbraw/zinc/03/33/61/606033361.db2.gz LEUBQHHDMFAPMQ-UHFFFAOYSA-N -1 3 344.382 2.432 20 10 EECDHM c1[nH]c2ncccc2c1C1=CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000819718609 606033365 /nfs/dbraw/zinc/03/33/65/606033365.db2.gz LEUBQHHDMFAPMQ-UHFFFAOYSA-N -1 3 344.382 2.432 20 10 EECDHM O=C1N=C(N2CCCCC2)SC1=Cc1cc(-c2nnn[n-]2)cs1 ZINC000823542020 606305273 /nfs/dbraw/zinc/30/52/73/606305273.db2.gz VNFTUAHYUAMPEF-XFFZJAGNSA-N -1 3 346.441 2.384 20 10 EECDHM O=C1N=C(N2CCCCC2)SC1=Cc1cc(-c2nn[n-]n2)cs1 ZINC000823542020 606305275 /nfs/dbraw/zinc/30/52/75/606305275.db2.gz VNFTUAHYUAMPEF-XFFZJAGNSA-N -1 3 346.441 2.384 20 10 EECDHM CCNC(=O)N1CCN(Cc2ccc(Br)cc2[O-])CC1 ZINC000722196387 687241332 /nfs/dbraw/zinc/24/13/32/687241332.db2.gz NSHFUUXLPGPFBR-UHFFFAOYSA-N -1 3 342.237 2.002 20 10 EECDHM CC(C)CN1C[C@@]2(CC1=O)CCCCN2C(=O)c1cccc(O)c1[O-] ZINC001269685659 1184510392 /nfs/dbraw/zinc/51/03/92/1184510392.db2.gz DLNKXIZJKHZDHM-IBGZPJMESA-N -1 3 346.427 2.351 20 10 EECDHM COC(=O)[C@H]1[C@@H]2CN(Cc3cc(C)cc(Br)c3[O-])C[C@@H]21 ZINC000814173612 1199326248 /nfs/dbraw/zinc/32/62/48/1199326248.db2.gz NJWFWBQQDZSXQA-PJXYFTJBSA-N -1 3 340.217 2.314 20 10 EECDHM CN(CC(=O)Nc1cc(F)cc(F)c1)C(=O)c1cccc(O)c1[O-] ZINC000193010452 1210688571 /nfs/dbraw/zinc/68/85/71/1210688571.db2.gz AQACGOAFAFWSRD-UHFFFAOYSA-N -1 3 336.294 2.087 20 10 EECDHM COCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(O)cc2F)c1 ZINC000795349000 1212002119 /nfs/dbraw/zinc/00/21/19/1212002119.db2.gz QURHSIZPQLANIL-UHFFFAOYSA-N -1 3 341.360 2.487 20 10 EECDHM C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])CCN1Cc1ccccc1 ZINC000396383725 1243008125 /nfs/dbraw/zinc/00/81/25/1243008125.db2.gz OVCVWBYSUWZJJT-CQSZACIVSA-N -1 3 326.396 2.444 20 10 EECDHM CC(C)CNC(=O)CNCc1cc(Br)cc(F)c1[O-] ZINC000715804582 1277767328 /nfs/dbraw/zinc/76/73/28/1277767328.db2.gz PQUSTJJMXYTHLT-UHFFFAOYSA-N -1 3 333.201 2.156 20 10 EECDHM COC(=O)CN(Cc1cc(OC)no1)Cc1cc(Cl)ccc1[O-] ZINC000851842467 1291878748 /nfs/dbraw/zinc/87/87/48/1291878748.db2.gz WRWDJWBKLZKWIU-UHFFFAOYSA-N -1 3 340.763 2.217 20 10 EECDHM O=c1[n-]ccc(NCc2ccc(N3CCC(O)CC3)cc2)c1[N+](=O)[O-] ZINC000853956892 1292553163 /nfs/dbraw/zinc/55/31/63/1292553163.db2.gz GAXBFVHOKBRBLY-UHFFFAOYSA-N -1 3 344.371 2.269 20 10 EECDHM O=C(Nc1cccc(CN2CC[C@H](O)C2)c1)c1c(F)ccc(O)c1[O-] ZINC000857267800 1293776232 /nfs/dbraw/zinc/77/62/32/1293776232.db2.gz PIRNPQSQATZBRN-ZDUSSCGKSA-N -1 3 346.358 2.056 20 10 EECDHM CCc1noc([C@@H]2CCC[N@H+](Cc3ccc(C(=O)[O-])cc3[O-])C2)n1 ZINC001231454669 1303802851 /nfs/dbraw/zinc/80/28/51/1303802851.db2.gz HVKFBSGXDIEOFD-CYBMUJFWSA-N -1 3 331.372 2.415 20 10 EECDHM CCc1noc([C@@H]2CCC[N@@H+](Cc3ccc(C(=O)[O-])cc3[O-])C2)n1 ZINC001231454669 1303802857 /nfs/dbraw/zinc/80/28/57/1303802857.db2.gz HVKFBSGXDIEOFD-CYBMUJFWSA-N -1 3 331.372 2.415 20 10 EECDHM Cc1cnc(O[C@H]2CCC[N@H+](Cc3ccc(C(=O)[O-])cc3[O-])C2)nc1 ZINC001231453969 1303803493 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S=C(NCc1ccc(-c2nnn[n-]2)cn1)Nc1ccccc1Cl ZINC001609611926 1352037014 /nfs/dbraw/zinc/03/70/14/1352037014.db2.gz VYDJWBKITRXCRX-UHFFFAOYSA-N -1 3 345.819 2.402 20 10 EECDHM S=C(NCc1ccc(-c2nn[n-]n2)cn1)Nc1ccccc1Cl ZINC001609611926 1352037016 /nfs/dbraw/zinc/03/70/16/1352037016.db2.gz VYDJWBKITRXCRX-UHFFFAOYSA-N -1 3 345.819 2.402 20 10 EECDHM COc1ccc(O)c([C@@H](C)NC(=O)c2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000847590572 1338194938 /nfs/dbraw/zinc/19/49/38/1338194938.db2.gz ATVMHVLURSFFNY-SECBINFHSA-N -1 3 329.356 2.265 20 10 EECDHM CC(C)(C)n1nnc(CNCc2cc(Br)ccc2[O-])n1 ZINC000848566168 1338723136 /nfs/dbraw/zinc/72/31/36/1338723136.db2.gz YIKFFHRBQNJARM-UHFFFAOYSA-N -1 3 340.225 2.186 20 10 EECDHM CC[C@H]([NH2+]CCO[C@H]1CC1(F)F)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590469583 1349345120 /nfs/dbraw/zinc/34/51/20/1349345120.db2.gz KUSIQQMHLWMNAE-RYUDHWBXSA-N -1 3 339.346 2.037 20 10 EECDHM CC[C@@H]([NH2+]CC(CC)(CC)CO)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604056261 1350842187 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CC(C)(C)NC(=O)O[C@@H]1CC[C@@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC001148225976 792259918 /nfs/dbraw/zinc/25/99/18/792259918.db2.gz ZSNIZZJQIQYZEB-GHMZBOCLSA-N -1 3 336.388 2.273 20 10 EECDHM Cc1cscc1CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000787603582 807175899 /nfs/dbraw/zinc/17/58/99/807175899.db2.gz PRLKGLYBYYREQL-UHFFFAOYSA-N -1 3 340.426 2.064 20 10 EECDHM NC(=O)c1ccc(CN(C(=O)c2cccc(O)c2[O-])C2CC2)cc1 ZINC000790524762 808781280 /nfs/dbraw/zinc/78/12/80/808781280.db2.gz NRSSBJXBXDPXSI-UHFFFAOYSA-N -1 3 326.352 2.002 20 10 EECDHM COCCOC[C@@H]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000093754567 533114992 /nfs/dbraw/zinc/11/49/92/533114992.db2.gz YAJYXHMEBMMIET-LLVKDONJSA-N -1 3 344.795 2.439 20 10 EECDHM COc1ccc(C(=O)N2CCN(Cc3ccccc3[O-])CC2)cc1 ZINC000289892540 464100794 /nfs/dbraw/zinc/10/07/94/464100794.db2.gz SXNCLUIHOLWLBU-UHFFFAOYSA-N -1 3 326.396 2.359 20 10 EECDHM O=C(Nc1ccc(CN2CCOCC2)cc1)c1cccc(O)c1[O-] ZINC000188073318 464193365 /nfs/dbraw/zinc/19/33/65/464193365.db2.gz 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Cc1c2ccccc2n(C)c1CNC(=O)NCc1cnc(C)[n-]c1=O ZINC000526926794 467651314 /nfs/dbraw/zinc/65/13/14/467651314.db2.gz DHCSJNAKSPKKJZ-UHFFFAOYSA-N -1 3 339.399 2.290 20 10 EECDHM Cc1ccc(NC(=O)c2cc([O-])cs2)cc1NS(C)(=O)=O ZINC000731871396 577129376 /nfs/dbraw/zinc/12/93/76/577129376.db2.gz JKFYERGHOUVWQS-UHFFFAOYSA-N -1 3 326.399 2.386 20 10 EECDHM COC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2cc([O-])cs2)c1C ZINC000732353174 577174518 /nfs/dbraw/zinc/17/45/18/577174518.db2.gz NEFFIJXLLUKGLR-UHFFFAOYSA-N -1 3 337.353 2.225 20 10 EECDHM COCc1cccc(CNC(=O)COC(=O)c2cc([O-])cs2)c1 ZINC000732353727 577174775 /nfs/dbraw/zinc/17/47/75/577174775.db2.gz SZAZLSUDAHCBSI-UHFFFAOYSA-N -1 3 335.381 2.073 20 10 EECDHM O=C(C1CCN(Cc2cc3c(cc2[O-])OC[C@H]3O)CC1)C(F)(F)F ZINC000774666658 577409783 /nfs/dbraw/zinc/40/97/83/577409783.db2.gz JQNFLRXONYAVMJ-CYBMUJFWSA-N -1 3 345.317 2.161 20 10 EECDHM COc1cccc([O-])c1CN1CCN(Cc2nc(C)c(C)o2)CC1 ZINC000769326160 577575025 /nfs/dbraw/zinc/57/50/25/577575025.db2.gz CIOQQDQOVWDDOJ-UHFFFAOYSA-N -1 3 331.416 2.323 20 10 EECDHM CCOc1ccc(CN2CCO[C@H](C(=O)OC(C)(C)C)C2)c([O-])c1 ZINC000769467531 577578538 /nfs/dbraw/zinc/57/85/38/577578538.db2.gz XUUGEUYHPAJDRX-INIZCTEOSA-N -1 3 337.416 2.333 20 10 EECDHM CS(=O)(=O)N1CCc2c1cccc2NC(=O)c1cc([O-])cs1 ZINC000758724675 577630070 /nfs/dbraw/zinc/63/00/70/577630070.db2.gz MZJOFVNMXFXCOK-UHFFFAOYSA-N -1 3 338.410 2.028 20 10 EECDHM CC(=O)c1cc(F)cc(CN2C[C@@H](CO)Oc3ccccc32)c1[O-] ZINC000759741055 577649204 /nfs/dbraw/zinc/64/92/04/577649204.db2.gz KTJBNNIMIQVCIG-AWEZNQCLSA-N -1 3 331.343 2.494 20 10 EECDHM O=C(NC[C@@]1(CO)C[C@@H]1c1ccc(F)cc1)c1cccc(O)c1[O-] ZINC000760592820 577666438 /nfs/dbraw/zinc/66/64/38/577666438.db2.gz UDDWEPYOPIVVRD-RDTXWAMCSA-N -1 3 331.343 2.133 20 10 EECDHM CN(Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc2c(c1)OCO2 ZINC000825966298 607927241 /nfs/dbraw/zinc/92/72/41/607927241.db2.gz WVNKRTDXKRGQHW-UHFFFAOYSA-N -1 3 327.319 2.371 20 10 EECDHM CN(Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc2c(c1)OCO2 ZINC000825966298 607927242 /nfs/dbraw/zinc/92/72/42/607927242.db2.gz WVNKRTDXKRGQHW-UHFFFAOYSA-N -1 3 327.319 2.371 20 10 EECDHM CC(=O)[C@@H](C)N1CC[C@@]2(CCCN2Cc2c([O-])cccc2F)C1=O ZINC001273266463 1197891013 /nfs/dbraw/zinc/89/10/13/1197891013.db2.gz YTWKMIWMVLFGDP-XIKOKIGWSA-N -1 3 334.391 2.076 20 10 EECDHM [O-]c1c(F)ccc(F)c1CN1C[C@@H]2CN(C3CCCC3)C[C@H](C1)O2 ZINC001275362548 1205322055 /nfs/dbraw/zinc/32/20/55/1205322055.db2.gz ODZGSCVWPMKOMY-OKILXGFUSA-N -1 3 338.398 2.498 20 10 EECDHM [O-]c1cc(F)c(F)cc1CN1CCCC2(CN(Cc3cn[nH]c3)C2)C1 ZINC001275773705 1205520860 /nfs/dbraw/zinc/52/08/60/1205520860.db2.gz MAWATBGJSVERPR-UHFFFAOYSA-N -1 3 348.397 2.492 20 10 EECDHM O=C(NC[C@]1(O)CCC[C@H](C(F)(F)F)C1)c1cccc(O)c1[O-] ZINC000187796147 1208541913 /nfs/dbraw/zinc/54/19/13/1208541913.db2.gz PUQOHQBYOVHCHM-XPTSAGLGSA-N -1 3 333.306 2.311 20 10 EECDHM O=C(c1ccc(Br)c(=O)[n-]1)N1CCc2cccc(O)c2C1 ZINC001193151204 1282355700 /nfs/dbraw/zinc/35/57/00/1282355700.db2.gz UAARAENOPNQYQA-UHFFFAOYSA-N -1 3 349.184 2.454 20 10 EECDHM Cn1ccnc1NC(=O)[C@]12C[C@H]1CCN2Cc1cc(Cl)ccc1[O-] ZINC001277456191 1303215560 /nfs/dbraw/zinc/21/55/60/1303215560.db2.gz CIWXHAAUCMXATL-PXAZEXFGSA-N -1 3 346.818 2.382 20 10 EECDHM COC(=O)[C@@H]1CN(Cc2ccc(C(=O)[O-])cc2O)Cc2ccccc21 ZINC001231454111 1303803373 /nfs/dbraw/zinc/80/33/73/1303803373.db2.gz NOYREWWKMMNZSQ-MRXNPFEDSA-N -1 3 341.363 2.363 20 10 EECDHM Cc1cnc(N2CCN(Cc3cc(Cl)c([O-])cc3O)CC2)nc1 ZINC001232263593 1304057468 /nfs/dbraw/zinc/05/74/68/1304057468.db2.gz BEAACNLPUBBVMA-UHFFFAOYSA-N -1 3 334.807 2.172 20 10 EECDHM COc1cc([O-])c(CN2CC(N3C[C@H](C)O[C@@H](C)C3)C2)cc1Cl ZINC001232271104 1304061574 /nfs/dbraw/zinc/06/15/74/1304061574.db2.gz NKACZJOQHMOHOX-RYUDHWBXSA-N -1 3 340.851 2.348 20 10 EECDHM Cc1cc(N2CCN(Cc3c([O-])ccc(F)c3F)CC2)nc(C)n1 ZINC001233334858 1304434631 /nfs/dbraw/zinc/43/46/31/1304434631.db2.gz XAXCMXBFVQIJJG-UHFFFAOYSA-N -1 3 334.370 2.399 20 10 EECDHM COc1ccc(CN2CC[C@H](Oc3cnccn3)C2)c([O-])c1Cl ZINC001236818308 1305689057 /nfs/dbraw/zinc/68/90/57/1305689057.db2.gz LXJOOHZOXCYFAT-LBPRGKRZSA-N -1 3 335.791 2.498 20 10 EECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C2CC2)C2CCC2)c1 ZINC000837249691 1315064553 /nfs/dbraw/zinc/06/45/53/1315064553.db2.gz NXCVUKQNGYLMJP-OAHLLOKOSA-N -1 3 338.429 2.072 20 10 EECDHM O=C(NCc1ccc(NC(=O)C2CC2)cc1)c1cccc(O)c1[O-] ZINC001256254967 1318696461 /nfs/dbraw/zinc/69/64/61/1318696461.db2.gz OKPZYSSSWXOVPS-UHFFFAOYSA-N -1 3 326.352 2.376 20 10 EECDHM C[C@H](OC(=O)c1cccc(O)c1O)c1cccc(-c2nnn[n-]2)c1 ZINC001590009812 1349106428 /nfs/dbraw/zinc/10/64/28/1349106428.db2.gz DAJBBMSBBNXKGH-VIFPVBQESA-N -1 3 326.312 2.196 20 10 EECDHM C[C@H](OC(=O)c1cccc(O)c1O)c1cccc(-c2nn[n-]n2)c1 ZINC001590009812 1349106436 /nfs/dbraw/zinc/10/64/36/1349106436.db2.gz DAJBBMSBBNXKGH-VIFPVBQESA-N -1 3 326.312 2.196 20 10 EECDHM C[C@H](NC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(N(C)C)cc1 ZINC001589946371 1349074066 /nfs/dbraw/zinc/07/40/66/1349074066.db2.gz PCIVEBTUQZHNQD-LBPRGKRZSA-N -1 3 336.399 2.424 20 10 EECDHM C[C@H](NC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(N(C)C)cc1 ZINC001589946371 1349074073 /nfs/dbraw/zinc/07/40/73/1349074073.db2.gz PCIVEBTUQZHNQD-LBPRGKRZSA-N -1 3 336.399 2.424 20 10 EECDHM O=C([O-])[C@H]1C[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)Cc2ccccc21 ZINC001601848478 1350379909 /nfs/dbraw/zinc/37/99/09/1350379909.db2.gz RDELFGOOTXDVEX-RDJZCZTQSA-N -1 3 341.363 2.002 20 10 EECDHM O=C([O-])[C@H]1C[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)Cc2ccccc21 ZINC001601848478 1350379911 /nfs/dbraw/zinc/37/99/11/1350379911.db2.gz RDELFGOOTXDVEX-RDJZCZTQSA-N -1 3 341.363 2.002 20 10 EECDHM C[C@@H]([NH2+]C[C@@H](C)CC1(C)OCCO1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603552183 1350719086 /nfs/dbraw/zinc/71/90/86/1350719086.db2.gz SSLVZSUOUTWEGM-NWDGAFQWSA-N -1 3 347.419 2.012 20 10 EECDHM C[C@H]([NH2+]CC1(CO)CCCCC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603657916 1350735670 /nfs/dbraw/zinc/73/56/70/1350735670.db2.gz QJXCYJMXWHQJDF-LBPRGKRZSA-N -1 3 331.420 2.166 20 10 EECDHM CCc1nc(CC[NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2[O-])cs1 ZINC001604555192 1350960579 /nfs/dbraw/zinc/96/05/79/1350960579.db2.gz GOYNYXZTUJYYAS-JTQLQIEISA-N -1 3 344.444 2.485 20 10 EECDHM Oc1ccccc1CNc1ncc(-c2nnn[n-]2)cc1Br ZINC001607112071 1351423304 /nfs/dbraw/zinc/42/33/04/1351423304.db2.gz SPLUNDQUEFIKHC-UHFFFAOYSA-N -1 3 347.176 2.342 20 10 EECDHM Oc1ccccc1CNc1ncc(-c2nn[n-]n2)cc1Br ZINC001607112071 1351423306 /nfs/dbraw/zinc/42/33/06/1351423306.db2.gz SPLUNDQUEFIKHC-UHFFFAOYSA-N -1 3 347.176 2.342 20 10 EECDHM COC[C@]1(CO)CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000832394505 1372435534 /nfs/dbraw/zinc/43/55/34/1372435534.db2.gz JFXWKMCXPVDQHQ-MRXNPFEDSA-N -1 3 327.808 2.079 20 10 EECDHM C[C@@H]1CN(Cc2cc(Cl)c(F)cc2[O-])CCN1CC(C)(C)O ZINC000816585152 784121253 /nfs/dbraw/zinc/12/12/53/784121253.db2.gz BZCFZAGPWNOHLF-LLVKDONJSA-N -1 3 330.831 2.462 20 10 EECDHM [O-]c1ccc(Cl)c(F)c1CN1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000816641643 784164773 /nfs/dbraw/zinc/16/47/73/784164773.db2.gz APMLYUNTTQKHLM-LLVKDONJSA-N -1 3 340.786 2.106 20 10 EECDHM O=C(c1cccc(O)c1[O-])N1CCNC(=O)[C@H]1CC1CCCCC1 ZINC000817697205 784929780 /nfs/dbraw/zinc/92/97/80/784929780.db2.gz ZRQLCFQMNOXBIY-CQSZACIVSA-N -1 3 332.400 2.009 20 10 EECDHM O=S1(=O)CC[C@@]2(C1)CCCN(Cc1cc(Cl)ccc1[O-])C2 ZINC000824976417 788384998 /nfs/dbraw/zinc/38/49/98/788384998.db2.gz AYYJETANEMFBRW-HNNXBMFYSA-N -1 3 329.849 2.446 20 10 EECDHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2ccc(N(C)C)c(F)c2)c1 ZINC000057558019 789634569 /nfs/dbraw/zinc/63/45/69/789634569.db2.gz HDSIKJGOPSKVAC-UHFFFAOYSA-N -1 3 345.374 2.486 20 10 EECDHM CCN(Cc1nncn1C)Cc1cc(Br)ccc1[O-] ZINC000173993072 791931409 /nfs/dbraw/zinc/93/14/09/791931409.db2.gz LHEBPGHVOIBFHF-UHFFFAOYSA-N -1 3 325.210 2.305 20 10 EECDHM CCn1nnc(-c2ccccc2NC(=O)c2cccc(O)c2[O-])n1 ZINC001148219879 792253662 /nfs/dbraw/zinc/25/36/62/792253662.db2.gz DAYIDOUNETVKIB-UHFFFAOYSA-N -1 3 325.328 2.024 20 10 EECDHM O=C(NC[C@H](O)c1cc2ccccc2o1)c1cc(O)c([O-])c(O)c1 ZINC001148591060 792576245 /nfs/dbraw/zinc/57/62/45/792576245.db2.gz SHDGCLGDZZCDIR-ZDUSSCGKSA-N -1 3 329.308 2.013 20 10 EECDHM O=C(C=Cc1ccc(O)c(O)c1)Nc1cccc2c(=O)[nH][n-]c(=O)c12 ZINC001179687157 800037085 /nfs/dbraw/zinc/03/70/85/800037085.db2.gz CXVGSKLUYGEOIJ-FNORWQNLSA-N -1 3 339.307 2.104 20 10 EECDHM C[C@H](O)CN1CCN(Cc2cccc(Br)c2[O-])[C@@H](C)C1 ZINC000793594632 810425690 /nfs/dbraw/zinc/42/56/90/810425690.db2.gz ZAZYACMYTNHUFK-RYUDHWBXSA-N -1 3 343.265 2.042 20 10 EECDHM CN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@H]1CCC(C)(C)C1 ZINC000794273374 810744518 /nfs/dbraw/zinc/74/45/18/810744518.db2.gz FUFXIASPKJEAJK-LBPRGKRZSA-N -1 3 340.445 2.414 20 10 EECDHM C[C@@H]1[C@@H](C)S(=O)(=O)CCN1Cc1cc(Br)ccc1[O-] ZINC000093559178 237045772 /nfs/dbraw/zinc/04/57/72/237045772.db2.gz RRWDYPSFFPWXKW-NXEZZACHSA-N -1 3 348.262 2.162 20 10 EECDHM CCS(=O)(=O)CCN(C)Cc1cc(Br)ccc1[O-] ZINC000093643196 237049265 /nfs/dbraw/zinc/04/92/65/237049265.db2.gz QLQNQTKYAALFCA-UHFFFAOYSA-N -1 3 336.251 2.021 20 10 EECDHM CCOC(=O)C1([S@](C)=O)CCN([C@@H](C)c2ccccc2[O-])CC1 ZINC000296564295 465224801 /nfs/dbraw/zinc/22/48/01/465224801.db2.gz SKPPLMNCGLSREO-NPMABZOXSA-N -1 3 339.457 2.229 20 10 EECDHM CC(C)CC1(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000155093282 462846107 /nfs/dbraw/zinc/84/61/07/462846107.db2.gz IAQOETZSSCZVLC-UHFFFAOYSA-N -1 3 340.445 2.320 20 10 EECDHM Cn1cc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)cn1 ZINC000158048842 463200318 /nfs/dbraw/zinc/20/03/18/463200318.db2.gz SWCKLWDYOATNBB-HNNXBMFYSA-N -1 3 348.834 2.174 20 10 EECDHM CCc1cc(=O)[n-]c(CN(C)Cc2ccc(N3CCOCC3)cc2)n1 ZINC000160589543 463353034 /nfs/dbraw/zinc/35/30/34/463353034.db2.gz UZUJJYXQGLAXSF-UHFFFAOYSA-N -1 3 342.443 2.213 20 10 EECDHM Cc1ccc(C(=O)NC2CCN(C(=O)CC(C)C)CC2)c([O-])c1O ZINC000177676665 463764190 /nfs/dbraw/zinc/76/41/90/463764190.db2.gz CACQVMKAEVHGQB-UHFFFAOYSA-N -1 3 334.416 2.173 20 10 EECDHM CCOC(=O)CC(=O)N(CC)Cc1cc(Br)ccc1[O-] ZINC000269152921 463892503 /nfs/dbraw/zinc/89/25/03/463892503.db2.gz LXYBYZOCOSRASV-UHFFFAOYSA-N -1 3 344.205 2.456 20 10 EECDHM CC[C@H](NCCS(=O)(=O)NC)c1cc(Cl)cc(Cl)c1[O-] ZINC000287686011 463969160 /nfs/dbraw/zinc/96/91/60/463969160.db2.gz MYALINQFYURSRR-NSHDSACASA-N -1 3 341.260 2.289 20 10 EECDHM CS(=O)(=O)C1(CNCc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCC1 ZINC000279913898 464164265 /nfs/dbraw/zinc/16/42/65/464164265.db2.gz WZHUSCMDUORIFX-UHFFFAOYSA-N -1 3 348.808 2.011 20 10 EECDHM CC[C@@H]1CN(Cc2cc(F)cc(C(C)=O)c2[O-])C[C@H](C)[S@@]1=O ZINC000285410889 464555242 /nfs/dbraw/zinc/55/52/42/464555242.db2.gz BJZNVVCUGMJEOV-OIAWAGMISA-N -1 3 327.421 2.465 20 10 EECDHM Cc1ccc(C(=O)N2CCN(C)[C@H](Cc3ccccc3)C2)c([O-])c1O ZINC000285752211 464682229 /nfs/dbraw/zinc/68/22/29/464682229.db2.gz JHKKJQGREIWIIJ-MRXNPFEDSA-N -1 3 340.423 2.405 20 10 EECDHM O=C(c1cc([O-])cs1)N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000732269890 577162351 /nfs/dbraw/zinc/16/23/51/577162351.db2.gz WWZSHLWKHYRHRF-UHFFFAOYSA-N -1 3 334.372 2.191 20 10 EECDHM CCc1cc(N2CCC[C@@H](NC(=O)c3cc([O-])cs3)C2)ncn1 ZINC000732914258 577197131 /nfs/dbraw/zinc/19/71/31/577197131.db2.gz KDZDLNIIRVUHHW-GFCCVEGCSA-N -1 3 332.429 2.205 20 10 EECDHM COC1(CO)CCN(Cc2cccc(Br)c2[O-])CC1 ZINC000775206210 577432784 /nfs/dbraw/zinc/43/27/84/577432784.db2.gz WMHUGKLXBFTLCF-UHFFFAOYSA-N -1 3 330.222 2.128 20 10 EECDHM COc1c([O-])c(CNc2cccc3c2oc(=O)n3C)ccc1[N+](=O)[O-] ZINC000775034294 577427288 /nfs/dbraw/zinc/42/72/88/577427288.db2.gz PWZAKTMZUDTZOX-UHFFFAOYSA-N -1 3 345.311 2.366 20 10 EECDHM COc1cc(CNC(=O)c2cccc(O)c2[O-])cc(OC)c1OC ZINC000776321565 577457662 /nfs/dbraw/zinc/45/76/62/577457662.db2.gz SOHKSOWSTTUUIF-UHFFFAOYSA-N -1 3 333.340 2.054 20 10 EECDHM O=C(NCCc1cc(Cl)c2c(c1)OCCO2)c1cccc(O)c1[O-] ZINC000776323318 577457694 /nfs/dbraw/zinc/45/76/94/577457694.db2.gz KZCCWRRGDZTSHD-UHFFFAOYSA-N -1 3 349.770 2.495 20 10 EECDHM COC(=O)[C@@H](C)[C@H](NC(=O)c1cccc(O)c1[O-])c1ccccc1 ZINC000776356043 577458163 /nfs/dbraw/zinc/45/81/63/577458163.db2.gz UAIMWGKQKNZFOH-NHYWBVRUSA-N -1 3 329.352 2.378 20 10 EECDHM O=C(c1cc([O-])cs1)N1CCOC[C@H]1C[C@H](O)c1ccccc1 ZINC000769351803 577575680 /nfs/dbraw/zinc/57/56/80/577575680.db2.gz VLDZUWXGGPXOTC-HIFRSBDPSA-N -1 3 333.409 2.418 20 10 EECDHM CCOc1ccc(CN(CC)[C@H](C)CS(=O)(=O)CC)c([O-])c1 ZINC000769424499 577577656 /nfs/dbraw/zinc/57/76/56/577577656.db2.gz FMTIJWBATDFRFM-CYBMUJFWSA-N -1 3 329.462 2.436 20 10 EECDHM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2ccc(O)cc2F)c1 ZINC000758168601 577617420 /nfs/dbraw/zinc/61/74/20/577617420.db2.gz DEGNGPFZXIRBPG-UHFFFAOYSA-N -1 3 343.307 2.258 20 10 EECDHM Cc1ccc(C(=O)NC[C@@]2(O)CCCc3ccccc32)c([O-])c1O ZINC000751537688 577755157 /nfs/dbraw/zinc/75/51/57/577755157.db2.gz HEXGOKZVAICWOX-IBGZPJMESA-N -1 3 327.380 2.360 20 10 EECDHM CN1CCCc2cc(CNC(=O)c3cc4n[n-]nc4cc3F)ccc21 ZINC000753811420 577794195 /nfs/dbraw/zinc/79/41/95/577794195.db2.gz XZKPDDPIXAFKBO-UHFFFAOYSA-N -1 3 339.374 2.409 20 10 EECDHM O=C(NCCNc1nccc(C(F)(F)F)n1)c1cc([O-])cs1 ZINC000738545872 578019030 /nfs/dbraw/zinc/01/90/30/578019030.db2.gz SLVPIJOCJAFZFZ-UHFFFAOYSA-N -1 3 332.307 2.104 20 10 EECDHM COCCO[C@@H]1CCCN(Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000179336396 679806207 /nfs/dbraw/zinc/80/62/07/679806207.db2.gz GRWNMXDBQXIBRK-OAHLLOKOSA-N -1 3 325.380 2.361 20 10 EECDHM CN(Cc1cccc(Br)c1[O-])[C@@H]1CCCCNC1=O ZINC000123925990 684875018 /nfs/dbraw/zinc/87/50/18/684875018.db2.gz CVUFLDLLVZEOSF-GFCCVEGCSA-N -1 3 327.222 2.255 20 10 EECDHM CC(=O)[C@@H](C)N1C[C@@]2(CC1=O)CCCCN2Cc1cccc(F)c1[O-] ZINC001273304564 1198004690 /nfs/dbraw/zinc/00/46/90/1198004690.db2.gz NXKFNUQACYTEOB-YJYMSZOUSA-N -1 3 348.418 2.466 20 10 EECDHM CC(=O)[C@@H](C)N1CC[C@]2(CCCN2Cc2cccc(F)c2[O-])C1=O ZINC001273305081 1198007538 /nfs/dbraw/zinc/00/75/38/1198007538.db2.gz ZTWADHSEIJODFG-KZULUSFZSA-N -1 3 334.391 2.076 20 10 EECDHM C[C@@H]1CCC[C@H](C)CN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000091669739 1213993381 /nfs/dbraw/zinc/99/33/81/1213993381.db2.gz PAEJZHGHEWLSQO-NWDGAFQWSA-N -1 3 340.445 2.414 20 10 EECDHM CCOC(=O)[C@H](C)Oc1cccc2c1C(=O)c1c([O-])cccc1C2=O ZINC001226379275 1301386619 /nfs/dbraw/zinc/38/66/19/1301386619.db2.gz APZJYALUTQRNEF-JTQLQIEISA-N -1 3 340.331 2.498 20 10 EECDHM C[C@H](CN(C)C)Oc1c([O-])ccc2c1C(=O)c1ccccc1C2=O ZINC001227580149 1301896135 /nfs/dbraw/zinc/89/61/35/1301896135.db2.gz HPNBDXJNMYIATK-LLVKDONJSA-N -1 3 325.364 2.497 20 10 EECDHM O=C([C@H]1CC12CN(Cc1cc(Cl)ccc1[O-])C2)N1CCCCO1 ZINC001277458610 1303248881 /nfs/dbraw/zinc/24/88/81/1303248881.db2.gz UDFSDRAUVKVVCX-CQSZACIVSA-N -1 3 336.819 2.422 20 10 EECDHM Cc1cc([O-])c(CN2CC3(C2)[C@@H](CF)CCS3(=O)=O)cc1Cl ZINC001231870060 1303935289 /nfs/dbraw/zinc/93/52/89/1303935289.db2.gz HRJONEXSJKRZQR-GFCCVEGCSA-N -1 3 347.839 2.313 20 10 EECDHM COC(=O)[C@H]1CCCN1Cc1cc(Br)c(OC)cc1[O-] ZINC001233134871 1304372240 /nfs/dbraw/zinc/37/22/40/1304372240.db2.gz GOUFPMQAHUYSQQ-LLVKDONJSA-N -1 3 344.205 2.301 20 10 EECDHM COC[C@@H]1COCCN1Cc1cc(Br)c(OC)cc1[O-] ZINC001233142731 1304374615 /nfs/dbraw/zinc/37/46/15/1304374615.db2.gz WDBZFKKFEKFCPK-LLVKDONJSA-N -1 3 346.221 2.011 20 10 EECDHM Cc1cc(Br)c([O-])c(CN2CCc3nncn3CC2)c1 ZINC001236662402 1305627470 /nfs/dbraw/zinc/62/74/70/1305627470.db2.gz DMXUXBCHIQNKLD-UHFFFAOYSA-N -1 3 337.221 2.113 20 10 EECDHM Cc1cc([O-])c(CN2CCN(C)C(=O)[C@H]2C)cc1Br ZINC001237682864 1306045660 /nfs/dbraw/zinc/04/56/60/1306045660.db2.gz UGFQPMVNTNLISH-SNVBAGLBSA-N -1 3 327.222 2.126 20 10 EECDHM C[C@H]1CC[C@@H](CO)N1Cc1cccc(I)c1[O-] ZINC001237778174 1306085306 /nfs/dbraw/zinc/08/53/06/1306085306.db2.gz SNQOYCRYXQETIE-ONGXEEELSA-N -1 3 347.196 2.342 20 10 EECDHM CCOC[C@@H]1CN(Cc2cc(F)ccc2[O-])Cc2nnn(CC)c21 ZINC001140053969 1314806096 /nfs/dbraw/zinc/80/60/96/1314806096.db2.gz HBCQPKWEHRUYNB-ZDUSSCGKSA-N -1 3 334.395 2.279 20 10 EECDHM CCN(CC)CCNS(=O)(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001251383582 1317452109 /nfs/dbraw/zinc/45/21/09/1317452109.db2.gz ATBVCOWNEAIQCB-UHFFFAOYSA-N -1 3 341.260 2.319 20 10 EECDHM C[C@H]([NH2+]CCc1cn2c(n1)SCC2)c1cc(C(=O)[O-])ccc1[O-] ZINC001604342467 1350920540 /nfs/dbraw/zinc/92/05/40/1350920540.db2.gz WNKCWZHVFKXDCS-JTQLQIEISA-N -1 3 333.413 2.286 20 10 EECDHM CN(OCC(F)(F)F)C(=O)CNCc1cc(Cl)c(F)cc1[O-] ZINC001308976628 1331610660 /nfs/dbraw/zinc/61/06/60/1331610660.db2.gz IJCSNIKZOHULCC-UHFFFAOYSA-N -1 3 344.692 2.227 20 10 EECDHM CNC(=O)c1ccc(NC(=O)NCc2c([O-])cccc2F)c(OC)c1 ZINC001311020617 1331744389 /nfs/dbraw/zinc/74/43/89/1331744389.db2.gz JVXIJOZSXGZZPQ-UHFFFAOYSA-N -1 3 347.346 2.221 20 10 EECDHM C[C@@H]([NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-])[C@H](O)c1ccccc1 ZINC001589950554 1349076141 /nfs/dbraw/zinc/07/61/41/1349076141.db2.gz UDDVBRKYDPMJBW-OZVIIMIRSA-N -1 3 339.399 2.345 20 10 EECDHM C[C@@H]([NH2+][C@@H]1CCCc2c1cnn2C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589958277 1349078950 /nfs/dbraw/zinc/07/89/50/1349078950.db2.gz VKLRIMTVDVHXLB-QMTHXVAHSA-N -1 3 339.403 2.034 20 10 EECDHM C[C@@H]([NH2+]C[C@@H](CO)C1CCCCC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589959963 1349081291 /nfs/dbraw/zinc/08/12/91/1349081291.db2.gz YEKPEUQAEQFJAS-OCCSQVGLSA-N -1 3 345.447 2.412 20 10 EECDHM CC[C@@H]([NH2+]CCC[C@H]1CCOC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590465689 1349341745 /nfs/dbraw/zinc/34/17/45/1349341745.db2.gz ICKSYQXIQXUFML-SWLSCSKDSA-N -1 3 331.420 2.430 20 10 EECDHM Cc1cccc([C@H](O)C[NH2+][C@H](C)c2cccc(-c3nn[n-]n3)c2[O-])c1 ZINC001605907952 1351251182 /nfs/dbraw/zinc/25/11/82/1351251182.db2.gz RYNRIUVHOUCOLD-MLGOLLRUSA-N -1 3 339.399 2.265 20 10 EECDHM CO[C@@H]1CN(Cc2c([O-])cccc2F)C[C@@H]1NC(=O)OC(C)(C)C ZINC001137841655 1372282358 /nfs/dbraw/zinc/28/23/58/1372282358.db2.gz OHLIVMVWARRLIK-DZGCQCFKSA-N -1 3 340.395 2.255 20 10 EECDHM NC(=O)c1ccc(CN(C(=O)c2cccc(O)c2[O-])C2CC2)c(F)c1 ZINC000816808184 784269799 /nfs/dbraw/zinc/26/97/99/784269799.db2.gz FJTFGDCSGHTVNF-UHFFFAOYSA-N -1 3 344.342 2.141 20 10 EECDHM COc1ccc(N2CC[C@H](CNC(=O)c3ccc(O)cc3[O-])C2)cc1 ZINC000819585706 785596248 /nfs/dbraw/zinc/59/62/48/785596248.db2.gz HJCXQJZCPLHSNK-CYBMUJFWSA-N -1 3 342.395 2.363 20 10 EECDHM CS(=O)(=O)[C@H]1CCCN(Cc2c([O-])cccc2Br)C1 ZINC000707142471 786114987 /nfs/dbraw/zinc/11/49/87/786114987.db2.gz IYJSHIOCBHSUHQ-JTQLQIEISA-N -1 3 348.262 2.164 20 10 EECDHM CN1C(=O)NCC12CCN(Cc1cc(Cl)c(F)cc1[O-])CC2 ZINC000822530095 787237267 /nfs/dbraw/zinc/23/72/67/787237267.db2.gz PWVVJTQUQDFVCZ-UHFFFAOYSA-N -1 3 327.787 2.174 20 10 EECDHM O=C(C1CC1)N1CCN(Cc2ccc(Br)cc2[O-])CC1 ZINC000824529119 788203042 /nfs/dbraw/zinc/20/30/42/788203042.db2.gz HUXWGXMWYSOFBJ-UHFFFAOYSA-N -1 3 339.233 2.209 20 10 EECDHM Cc1ccc(C)c(N2CCN(C(=O)c3cc(O)c([O-])c(O)c3)CC2)c1 ZINC001148580550 792567254 /nfs/dbraw/zinc/56/72/54/792567254.db2.gz HDSWTVQTMDAZSO-UHFFFAOYSA-N -1 3 342.395 2.383 20 10 EECDHM NC(=O)c1cc(NCc2cc(Cl)c3cccnc3c2[O-])ncn1 ZINC001168521755 797915178 /nfs/dbraw/zinc/91/51/78/797915178.db2.gz JFLGNACHVVDUMH-UHFFFAOYSA-N -1 3 329.747 2.095 20 10 EECDHM CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cccc(O)c1[O-] ZINC000790477249 808735550 /nfs/dbraw/zinc/73/55/50/808735550.db2.gz CPNKWHWPVSIDIP-UHFFFAOYSA-N -1 3 325.324 2.019 20 10 EECDHM O=C1CCCN1[C@@H]1CCN(Cc2cccc(Br)c2[O-])C1 ZINC000792184264 809643283 /nfs/dbraw/zinc/64/32/83/809643283.db2.gz FESDRHGZDOFJTR-GFCCVEGCSA-N -1 3 339.233 2.351 20 10 EECDHM O=C(Nc1cccc(N2C(=O)CCCC2=O)c1)c1cccc(O)c1[O-] ZINC000792617704 809890865 /nfs/dbraw/zinc/89/08/65/809890865.db2.gz PUXCTWKKARKIKH-UHFFFAOYSA-N -1 3 340.335 2.394 20 10 EECDHM CC[C@@H]1CN(Cc2c([O-])ccc3ccncc32)C[C@@H](C)S1(=O)=O ZINC000808193555 812507376 /nfs/dbraw/zinc/50/73/76/812507376.db2.gz IPSNISMGKKIIEJ-TZMCWYRMSA-N -1 3 334.441 2.338 20 10 EECDHM CSCC[C@H](NCc1c([O-])ccc(Cl)c1F)C(=O)N(C)C ZINC000808438860 812637388 /nfs/dbraw/zinc/63/73/88/812637388.db2.gz PNHPYXBVVBSQDH-NSHDSACASA-N -1 3 334.844 2.484 20 10 EECDHM C[C@@H]([NH2+]CC(C)(C)C1(O)CCOCC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593239468 994422054 /nfs/dbraw/zinc/42/20/54/994422054.db2.gz FMAUFOZTZYGJQU-GFCCVEGCSA-N -1 3 337.416 2.309 20 10 EECDHM COc1cc(Br)cc(CN2C[C@H](F)C[C@H]2CO)c1[O-] ZINC000372635415 533489148 /nfs/dbraw/zinc/48/91/48/533489148.db2.gz AAAOTXHHODXKCH-MNOVXSKESA-N -1 3 334.185 2.068 20 10 EECDHM COc1cccc([C@@H](CNC(=O)c2ccc(C)c(O)c2[O-])N(C)C)c1 ZINC000177659986 463760048 /nfs/dbraw/zinc/76/00/48/463760048.db2.gz BQSBCJQVZNTYDB-MRXNPFEDSA-N -1 3 344.411 2.448 20 10 EECDHM O=C(c1cccc(O)c1[O-])N1CCO[C@@]2(CCc3ccccc32)C1 ZINC000185887115 463898355 /nfs/dbraw/zinc/89/83/55/463898355.db2.gz ALXOJECIYDAEPT-IBGZPJMESA-N -1 3 325.364 2.412 20 10 EECDHM O=C(N[C@H]1CCCN(c2ccccc2F)C1=O)c1cccc(O)c1[O-] ZINC000185896341 463902043 /nfs/dbraw/zinc/90/20/43/463902043.db2.gz NTAYWEOFXCXPFU-ZDUSSCGKSA-N -1 3 344.342 2.162 20 10 EECDHM C[C@@H]([C@@H]1CCOC1)N1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277407163 463913658 /nfs/dbraw/zinc/91/36/58/463913658.db2.gz ONRICZMGAPUZRV-WDEREUQCSA-N -1 3 338.791 2.235 20 10 EECDHM C[C@H]([C@@H]1CCOC1)N1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277407160 463913671 /nfs/dbraw/zinc/91/36/71/463913671.db2.gz ONRICZMGAPUZRV-GHMZBOCLSA-N -1 3 338.791 2.235 20 10 EECDHM CC[C@H]1CC[C@@H](C)N1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000271865136 464395561 /nfs/dbraw/zinc/39/55/61/464395561.db2.gz YMDRLENVXJUKEP-PWSUYJOCSA-N -1 3 326.418 2.167 20 10 EECDHM Cc1ccc(C(=O)NCc2cccc(C(=O)NC3CC3)c2)c([O-])c1O ZINC000272863712 464691815 /nfs/dbraw/zinc/69/18/15/464691815.db2.gz VECGLMCWVSUNOZ-UHFFFAOYSA-N -1 3 340.379 2.228 20 10 EECDHM Cc1ccc(C(=O)N2CCN(C(=O)c3cc([O-])cs3)CC2)cc1F ZINC000732274526 577163168 /nfs/dbraw/zinc/16/31/68/577163168.db2.gz PUGJPKYAVOLFLF-UHFFFAOYSA-N -1 3 348.399 2.499 20 10 EECDHM CCN1C(=S)N=NC1[C@H]1CCCN(C(=O)c2cc([O-])cs2)C1 ZINC000732289317 577166790 /nfs/dbraw/zinc/16/67/90/577166790.db2.gz YZYNUVSJWUULOU-VIFPVBQESA-N -1 3 338.458 2.374 20 10 EECDHM CC(=O)NCCc1ccc(C(=O)COC(=O)c2cc([O-])cs2)cc1 ZINC000732353153 577174552 /nfs/dbraw/zinc/17/45/52/577174552.db2.gz MKZHMIXGUAXSHB-UHFFFAOYSA-N -1 3 347.392 2.172 20 10 EECDHM CCOc1ccc(CN2CCCC[C@H](S(C)(=O)=O)C2)c([O-])c1 ZINC000775190357 577432291 /nfs/dbraw/zinc/43/22/91/577432291.db2.gz AAZZDROBQCCORY-HNNXBMFYSA-N -1 3 327.446 2.190 20 10 EECDHM [O-]c1c(F)cc(Cl)cc1CN1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000775676180 577442491 /nfs/dbraw/zinc/44/24/91/577442491.db2.gz NVYVIFVXAZKPKZ-CABCVRRESA-N -1 3 328.815 2.216 20 10 EECDHM COC(=O)C[C@@](C)(NC(=O)c1ccc(C)c(O)c1[O-])c1ccccn1 ZINC000777350376 577477046 /nfs/dbraw/zinc/47/70/46/577477046.db2.gz LFVNEQPWACQWQK-GOSISDBHSA-N -1 3 344.367 2.010 20 10 EECDHM CCOC(=O)N[C@@H](CNC(=O)c1ccc(C)c(O)c1[O-])CC(C)C ZINC000751532658 577754994 /nfs/dbraw/zinc/75/49/94/577754994.db2.gz CPCKUYYISDCCCJ-GFCCVEGCSA-N -1 3 338.404 2.297 20 10 EECDHM C[C@@H](NCCS(=O)(=O)NC(C)(C)C)c1cc(F)cc(F)c1[O-] ZINC000756481558 577844857 /nfs/dbraw/zinc/84/48/57/577844857.db2.gz BTVDAGFNWQJMKY-SECBINFHSA-N -1 3 336.404 2.039 20 10 EECDHM COCCNC(=O)[C@H](CC(C)C)N[C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756857837 577851517 /nfs/dbraw/zinc/85/15/17/577851517.db2.gz WUYMBTSAXKDLPG-ABAIWWIYSA-N -1 3 344.402 2.498 20 10 EECDHM C[C@@H]1C[C@H](Nc2cnn(CC(=O)N(C)C)c2)c2c1c(F)ccc2[O-] ZINC000757640552 577861611 /nfs/dbraw/zinc/86/16/11/577861611.db2.gz XXTMXENEPVLGKU-MFKMUULPSA-N -1 3 332.379 2.476 20 10 EECDHM CN(C)c1ccc2c(c1)OCCN2CCC[N-]C(=O)C(F)(F)F ZINC000181135554 682166236 /nfs/dbraw/zinc/16/62/36/682166236.db2.gz IBEHEVNCGJXTIB-UHFFFAOYSA-N -1 3 331.338 2.020 20 10 EECDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1ccccc1O ZINC000319352616 684788907 /nfs/dbraw/zinc/78/89/07/684788907.db2.gz VVYBZPMQGCIKSN-UHFFFAOYSA-N -1 3 342.760 2.432 20 10 EECDHM O=C1CO[C@]2(CCN(Cc3c([O-])cccc3F)C2)CN1C1CCCC1 ZINC001273265991 1197888646 /nfs/dbraw/zinc/88/86/46/1197888646.db2.gz PIHNXDSJKDJUBH-IBGZPJMESA-N -1 3 348.418 2.277 20 10 EECDHM CC(=O)[C@@H](C)N1CC[C@@]2(CCCN2Cc2cccc(F)c2[O-])C1=O ZINC001273305085 1198007189 /nfs/dbraw/zinc/00/71/89/1198007189.db2.gz ZTWADHSEIJODFG-XIKOKIGWSA-N -1 3 334.391 2.076 20 10 EECDHM COCC[C@@H]1COCCN1Cc1ccc(Br)cc1[O-] ZINC000825955724 1199901397 /nfs/dbraw/zinc/90/13/97/1199901397.db2.gz PTZVIHIILAXKQI-CYBMUJFWSA-N -1 3 330.222 2.392 20 10 EECDHM O=C(Nc1ccc2nc(CO)[nH]c2c1)c1ccc(O)c([O-])c1Cl ZINC001193230039 1282415774 /nfs/dbraw/zinc/41/57/74/1282415774.db2.gz PGJOABOKCCILIT-UHFFFAOYSA-N -1 3 333.731 2.372 20 10 EECDHM [O-]c1cccc(Br)c1CN1CCN(c2cccnn2)CC1 ZINC000862238054 1295764233 /nfs/dbraw/zinc/76/42/33/1295764233.db2.gz KBQWJOOMQQZSNG-UHFFFAOYSA-N -1 3 349.232 2.267 20 10 EECDHM CC(C)NCC(=O)Nc1cc2c(cc1[O-])C(=O)c1ccccc1C2=O ZINC001218919943 1297864666 /nfs/dbraw/zinc/86/46/66/1297864666.db2.gz BIFWCXTXBICYAF-UHFFFAOYSA-N -1 3 338.363 2.104 20 10 EECDHM CC(C)OC(=O)COc1cccc2c1C(=O)c1c([O-])cccc1C2=O ZINC001226379742 1301386600 /nfs/dbraw/zinc/38/66/00/1301386600.db2.gz HQWFDGZCXFQCBM-UHFFFAOYSA-N -1 3 340.331 2.498 20 10 EECDHM CC(C)C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C(=O)[O-])cc3[O-])CC[C@@H]21 ZINC001231451691 1303800756 /nfs/dbraw/zinc/80/07/56/1303800756.db2.gz PXGZTQIUBJFBLN-HOCLYGCPSA-N -1 3 346.427 2.169 20 10 EECDHM CC(C)C(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(C(=O)[O-])cc3[O-])CC[C@@H]21 ZINC001231451691 1303800758 /nfs/dbraw/zinc/80/07/58/1303800758.db2.gz PXGZTQIUBJFBLN-HOCLYGCPSA-N -1 3 346.427 2.169 20 10 EECDHM CC(=O)N1CCCC[C@]12CC[N@H+](Cc1ccc(C(=O)[O-])cc1[O-])C2 ZINC001231451445 1303801228 /nfs/dbraw/zinc/80/12/28/1303801228.db2.gz MNOUXEXOPPSPCA-GOSISDBHSA-N -1 3 332.400 2.067 20 10 EECDHM CC(=O)N1CCCC[C@]12CC[N@@H+](Cc1ccc(C(=O)[O-])cc1[O-])C2 ZINC001231451445 1303801233 /nfs/dbraw/zinc/80/12/33/1303801233.db2.gz MNOUXEXOPPSPCA-GOSISDBHSA-N -1 3 332.400 2.067 20 10 EECDHM COc1ccc(O[C@H]2CC[N@H+](Cc3ccc(C(=O)[O-])cc3[O-])C2)nc1 ZINC001231452861 1303802375 /nfs/dbraw/zinc/80/23/75/1303802375.db2.gz HGSIPGOEEYTMTJ-HNNXBMFYSA-N -1 3 344.367 2.147 20 10 EECDHM COc1ccc(O[C@H]2CC[N@@H+](Cc3ccc(C(=O)[O-])cc3[O-])C2)nc1 ZINC001231452861 1303802380 /nfs/dbraw/zinc/80/23/80/1303802380.db2.gz HGSIPGOEEYTMTJ-HNNXBMFYSA-N -1 3 344.367 2.147 20 10 EECDHM Cc1nccnc1O[C@H]1CCC[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231453954 1303803177 /nfs/dbraw/zinc/80/31/77/1303803177.db2.gz RWLJQPMNPQXYIY-HNNXBMFYSA-N -1 3 343.383 2.232 20 10 EECDHM Cc1nccnc1O[C@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231453954 1303803183 /nfs/dbraw/zinc/80/31/83/1303803183.db2.gz RWLJQPMNPQXYIY-HNNXBMFYSA-N -1 3 343.383 2.232 20 10 EECDHM CC(C)C(=O)N(C)C1CC[NH+](Cc2ccc(C(=O)[O-])cc2[O-])CC1 ZINC001231454019 1303803665 /nfs/dbraw/zinc/80/36/65/1303803665.db2.gz SSJTXTSIMAZKKZ-UHFFFAOYSA-N -1 3 334.416 2.169 20 10 EECDHM COC[C@H]1CN(Cc2ccc3ccccc3c2[O-])Cc2nnn(C)c21 ZINC001231878630 1303936210 /nfs/dbraw/zinc/93/62/10/1303936210.db2.gz OBDVDIDQFGUEFV-OAHLLOKOSA-N -1 3 338.411 2.420 20 10 EECDHM COc1cc([O-])c(CN2CCCC[C@@H]2C(N)=O)c(Br)c1 ZINC001237072809 1305788593 /nfs/dbraw/zinc/78/85/93/1305788593.db2.gz KGKLUOLPIGDFIE-GFCCVEGCSA-N -1 3 343.221 2.003 20 10 EECDHM COc1cc([O-])c(CN2CC=CC2)cc1I ZINC001248462109 1310907860 /nfs/dbraw/zinc/90/78/60/1310907860.db2.gz NNYGIYZWOIAPTQ-UHFFFAOYSA-N -1 3 331.153 2.377 20 10 EECDHM CN(Cc1ccccc1)C1CN(C(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000831873507 1314626963 /nfs/dbraw/zinc/62/69/63/1314626963.db2.gz VODJFZQOCGGPDI-UHFFFAOYSA-N -1 3 330.359 2.193 20 10 EECDHM C[C@H]1CC(C)(C)CN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000839877509 1315257510 /nfs/dbraw/zinc/25/75/10/1315257510.db2.gz PNJALTFVMKQZBP-JTQLQIEISA-N -1 3 326.418 2.024 20 10 EECDHM CC[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@@H]1CC1(C)C ZINC000841449780 1315556007 /nfs/dbraw/zinc/55/60/07/1315556007.db2.gz FMCGNRQOCSAGIP-STQMWFEESA-N -1 3 340.445 2.318 20 10 EECDHM O=C1[C@@H](Sc2nccs2)CCN1c1ccc(-c2nnn[n-]2)cc1 ZINC001609586632 1352027900 /nfs/dbraw/zinc/02/79/00/1352027900.db2.gz OPSUIVKTIZIFBV-NSHDSACASA-N -1 3 344.425 2.221 20 10 EECDHM O=C1[C@@H](Sc2nccs2)CCN1c1ccc(-c2nn[n-]n2)cc1 ZINC001609586632 1352027905 /nfs/dbraw/zinc/02/79/05/1352027905.db2.gz OPSUIVKTIZIFBV-NSHDSACASA-N -1 3 344.425 2.221 20 10 EECDHM C[C@@H](NCC(=O)NC1(C(=O)[O-])CCCCC1)c1ccc(N(C)C)cc1 ZINC001609771498 1352080868 /nfs/dbraw/zinc/08/08/68/1352080868.db2.gz CZUQBWIIPZAJAF-CQSZACIVSA-N -1 3 347.459 2.307 20 10 EECDHM CC[C@@H]([NH2+]CC1(C)CCOCC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590463907 1349340706 /nfs/dbraw/zinc/34/07/06/1349340706.db2.gz MNDQXWMGGKARHB-CQSZACIVSA-N -1 3 331.420 2.430 20 10 EECDHM CC[C@H]([NH2+][C@H]1CCN(C(C)(C)C)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590466866 1349342005 /nfs/dbraw/zinc/34/20/05/1349342005.db2.gz PCAGGVWMNMKHOC-WFASDCNBSA-N -1 3 344.463 2.486 20 10 EECDHM Cc1ccc(C=CC(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)cn1 ZINC001605834344 1351232328 /nfs/dbraw/zinc/23/23/28/1351232328.db2.gz QKUYILRUHIQLJS-DAXSKMNVSA-N -1 3 332.367 2.173 20 10 EECDHM Cc1ccc(C=CC(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)cn1 ZINC001605834344 1351232330 /nfs/dbraw/zinc/23/23/30/1351232330.db2.gz QKUYILRUHIQLJS-DAXSKMNVSA-N -1 3 332.367 2.173 20 10 EECDHM COC(=O)c1n[nH]c2cccc(NC(=O)c3cccc(O)c3[O-])c21 ZINC001148218679 792252508 /nfs/dbraw/zinc/25/25/08/792252508.db2.gz GLUDVYZBLZBARY-UHFFFAOYSA-N -1 3 327.296 2.013 20 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O=C(N[C@@H]1CC(=O)N(c2c(F)cccc2F)C1)c1cc([O-])cs1 ZINC000771416592 577211736 /nfs/dbraw/zinc/21/17/36/577211736.db2.gz GPXCDUMDKWRQDL-MRVPVSSYSA-N -1 3 338.335 2.267 20 10 EECDHM COc1c([O-])c(CN[C@@](C)(CO)c2ccccc2)ccc1[N+](=O)[O-] ZINC000775011303 577426414 /nfs/dbraw/zinc/42/64/14/577426414.db2.gz IOOTXQOJQFNUKK-KRWDZBQOSA-N -1 3 332.356 2.306 20 10 EECDHM COc1ccc2c(c1)CN(Cc1cc3c(cc1[O-])OC[C@H]3O)CC2 ZINC000768441012 577555695 /nfs/dbraw/zinc/55/56/95/577555695.db2.gz CMVOXKBDADSWPQ-GOSISDBHSA-N -1 3 327.380 2.385 20 10 EECDHM COC(=O)[C@H]1CCN(Cc2cc(Br)cc(OC)c2[O-])C1 ZINC000768459970 577556177 /nfs/dbraw/zinc/55/61/77/577556177.db2.gz JARKMZDCWWKLJF-VIFPVBQESA-N -1 3 344.205 2.158 20 10 EECDHM [O-]c1cc2c(cc1CN1CCOC[C@@H]1c1ccccc1)[C@@H](O)CO2 ZINC000768466733 577556492 /nfs/dbraw/zinc/55/64/92/577556492.db2.gz VRVGRRFTSOPMHQ-AEFFLSMTSA-N -1 3 327.380 2.392 20 10 EECDHM CC(C)(C)OC(=O)NCCN(CCO)Cc1cccc(Cl)c1[O-] ZINC000768533547 577557994 /nfs/dbraw/zinc/55/79/94/577557994.db2.gz 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c1[nH]c2ncccc2c1C1=CCN(c2cnccc2-c2nn[n-]n2)CC1 ZINC000823867984 608767736 /nfs/dbraw/zinc/76/77/36/608767736.db2.gz MBKHHMALSXLCNC-UHFFFAOYSA-N -1 3 344.382 2.432 20 10 EECDHM Cn1nccc1[C@@H](O)C1CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000895377157 684560574 /nfs/dbraw/zinc/56/05/74/684560574.db2.gz JYWWXGYWMONWBW-KRWDZBQOSA-N -1 3 337.370 2.350 20 10 EECDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1ccncn1 ZINC000779000957 1208432838 /nfs/dbraw/zinc/43/28/38/1208432838.db2.gz NAPMQDWDZYONOC-AWEZNQCLSA-N -1 3 346.818 2.230 20 10 EECDHM C[C@@H]1CCN(Cc2cc(F)ccc2O)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000827849659 1248825926 /nfs/dbraw/zinc/82/59/26/1248825926.db2.gz HDXHNMUCDPELBB-SKDRFNHKSA-N -1 3 334.313 2.420 20 10 EECDHM CN(C)c1ccc(CNC(=O)c2cnc(C3CC3)[n-]c2=O)cc1F ZINC000900435194 1234352115 /nfs/dbraw/zinc/35/21/15/1234352115.db2.gz YQPCHDHABATQIX-UHFFFAOYSA-N -1 3 330.363 2.195 20 10 EECDHM CN(C)CCN(CC(=O)N(C)C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000827157794 1250276409 /nfs/dbraw/zinc/27/64/09/1250276409.db2.gz HLHXHUQZROTVQM-UHFFFAOYSA-N -1 3 348.274 2.151 20 10 EECDHM Cc1ccc(C(=O)Nc2c[nH]nc2C(=O)OC(C)(C)C)c([O-])c1O ZINC000862070923 1295681195 /nfs/dbraw/zinc/68/11/95/1295681195.db2.gz MEILCYCKRVHMJD-UHFFFAOYSA-N -1 3 333.344 2.337 20 10 EECDHM CC(C)C(=O)NCCN(C)Cc1c([O-])cccc1Br ZINC000862252293 1295772738 /nfs/dbraw/zinc/77/27/38/1295772738.db2.gz DVOJYZWPNIRTRZ-UHFFFAOYSA-N -1 3 329.238 2.359 20 10 EECDHM CC(=O)Nc1cccc(CNC(=O)NCc2c([O-])cccc2F)c1 ZINC001222461302 1299605389 /nfs/dbraw/zinc/60/53/89/1299605389.db2.gz CRCWDJYUTPJXED-UHFFFAOYSA-N -1 3 331.347 2.489 20 10 EECDHM O=C(Nc1nnco1)[C@]12C[C@H]1CCN2Cc1cc(Cl)ccc1[O-] ZINC001277456697 1303222438 /nfs/dbraw/zinc/22/24/38/1303222438.db2.gz IETQMTYDZYOBKZ-BMIGLBTASA-N -1 3 334.763 2.032 20 10 EECDHM CCOC(=O)CN(C)Cc1cc(Br)c(OC)cc1[O-] ZINC001233137504 1304373305 /nfs/dbraw/zinc/37/33/05/1304373305.db2.gz PPTMVZGWSAFSHR-UHFFFAOYSA-N -1 3 332.194 2.158 20 10 EECDHM CCOC(=O)[C@@H]1CN(Cc2ccc(C(F)(F)F)cc2[O-])CCC1=O ZINC001233452420 1304469950 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COC(=O)[C@@]12COC[C@@H]1CN(Cc1cc(Cl)cc(Cl)c1[O-])C2 ZINC001203574406 1321915319 /nfs/dbraw/zinc/91/53/19/1321915319.db2.gz VAJQLQVPZBRELJ-BONVTDFDSA-N -1 3 346.210 2.320 20 10 EECDHM CC(=O)N1CCC[C@]2(CN(Cc3cc(Cl)ccc3[O-])CCO2)C1 ZINC001203658379 1321934310 /nfs/dbraw/zinc/93/43/10/1321934310.db2.gz LDXGEHVJYZJFJU-KRWDZBQOSA-N -1 3 338.835 2.259 20 10 EECDHM C[C@@H](CCNC(=O)c1cccc(O)c1[O-])N(C)C(=O)OC(C)(C)C ZINC001321448502 1333106701 /nfs/dbraw/zinc/10/67/01/1333106701.db2.gz AIWCCTHDKLNBEC-NSHDSACASA-N -1 3 338.404 2.473 20 10 EECDHM Cc1ccc(C(=O)NCc2ccc(N(C)C)cc2)cc1-c1nnn[n-]1 ZINC001609419092 1351969201 /nfs/dbraw/zinc/96/92/01/1351969201.db2.gz LKKONUCRIDCANJ-UHFFFAOYSA-N -1 3 336.399 2.171 20 10 EECDHM Cc1ccc(C(=O)NCc2ccc(N(C)C)cc2)cc1-c1nn[n-]n1 ZINC001609419092 1351969204 /nfs/dbraw/zinc/96/92/04/1351969204.db2.gz LKKONUCRIDCANJ-UHFFFAOYSA-N -1 3 336.399 2.171 20 10 EECDHM C[C@@H]([NH2+]CC1(N2CCCC2)CCOCC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609775914 1352082742 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NFDDNVIENCVOHC-GTNSWQLSSA-N -1 3 331.368 2.228 20 10 EECDHM COc1ccc2ccc([O-])c(C[N@@H+]3C[C@H](C)O[C@H](C(=O)[O-])C3)c2c1 ZINC001607300231 1351468187 /nfs/dbraw/zinc/46/81/87/1351468187.db2.gz NFDDNVIENCVOHC-GTNSWQLSSA-N -1 3 331.368 2.228 20 10 EECDHM COc1ccc2ccc([O-])c(C[N@H+]3C[C@H](C)O[C@H](C(=O)[O-])C3)c2c1 ZINC001607300231 1351468188 /nfs/dbraw/zinc/46/81/88/1351468188.db2.gz NFDDNVIENCVOHC-GTNSWQLSSA-N -1 3 331.368 2.228 20 10 EECDHM CS(=O)(=O)C[C@H]1CCN(Cc2c([O-])cccc2Br)C1 ZINC000862372989 1369532690 /nfs/dbraw/zinc/53/26/90/1369532690.db2.gz CISKDOLBUWHBLT-JTQLQIEISA-N -1 3 348.262 2.021 20 10 EECDHM CCn1nnc2c1CCN(Cc1ccc(Cl)cc1[O-])[C@H]2COC ZINC001140462928 1372580540 /nfs/dbraw/zinc/58/05/40/1372580540.db2.gz OJASALJSMPCLOM-AWEZNQCLSA-N -1 3 336.823 2.403 20 10 EECDHM O=C(Nc1ccc(-c2cc(CO)on2)cc1)c1cc(O)c([O-])c(O)c1 ZINC001148585928 792571628 /nfs/dbraw/zinc/57/16/28/792571628.db2.gz FFLIILNXXFMSAG-UHFFFAOYSA-N -1 3 342.307 2.203 20 10 EECDHM COC(=O)[C@H](CC1CCCCC1)NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148589901 792574682 /nfs/dbraw/zinc/57/46/82/792574682.db2.gz QAZIRLHYBPWFDK-LBPRGKRZSA-N -1 3 337.372 2.045 20 10 EECDHM CC[C@H](C[NH2+]Cc1cc(Br)cc(OC)c1[O-])C(=O)[O-] ZINC000903705113 981016319 /nfs/dbraw/zinc/01/63/19/981016319.db2.gz RBJGIUJIHPMATQ-MRVPVSSYSA-N -1 3 332.194 2.364 20 10 EECDHM C[C@H]([NH2+]C[C@H](O)C(F)(F)C(F)(F)F)c1cc(C(=O)[O-])ccc1[O-] ZINC001593249121 994476459 /nfs/dbraw/zinc/47/64/59/994476459.db2.gz WHOZJNJNFZAWKQ-WKEGUHRASA-N -1 3 343.248 2.300 20 10 EECDHM CO[C@@H](CN1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O)C(C)C ZINC000277367645 463913744 /nfs/dbraw/zinc/91/37/44/463913744.db2.gz YFFFPEVTMRMTQG-AWEZNQCLSA-N -1 3 340.807 2.481 20 10 EECDHM CCCOc1ccc(CN2CCN(C)[C@@H](c3nccn3C)C2)c([O-])c1 ZINC000279740384 464137896 /nfs/dbraw/zinc/13/78/96/464137896.db2.gz XHIAOOCKKITSTC-QGZVFWFLSA-N -1 3 344.459 2.403 20 10 EECDHM C[C@@H]1CN(Cc2cc(Br)ccc2[O-])C[C@H](C)S1(=O)=O ZINC000290986809 464140063 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Cc1ccc(C(=O)N(C)C[C@@H]2COc3ccccc3O2)c([O-])c1O ZINC000272553609 464658481 /nfs/dbraw/zinc/65/84/81/464658481.db2.gz FMNWOOQNKMMUDI-GFCCVEGCSA-N -1 3 329.352 2.318 20 10 EECDHM C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cccc(O)c1[O-] ZINC000275090509 464763427 /nfs/dbraw/zinc/76/34/27/464763427.db2.gz GSXMOIQJCFYNMT-NSHDSACASA-N -1 3 336.388 2.179 20 10 EECDHM O=C(N[C@@H]1CCCN(C2CCCCC2)C1=O)c1cccc(O)c1[O-] ZINC000275973641 464793298 /nfs/dbraw/zinc/79/32/98/464793298.db2.gz KHWJYCQHDZYVLA-CQSZACIVSA-N -1 3 332.400 2.151 20 10 EECDHM Cc1ccc(C(=O)N2CC[C@]3(C2)C(=O)Nc2ccccc23)c([O-])c1O ZINC000364324220 466694054 /nfs/dbraw/zinc/69/40/54/466694054.db2.gz ZOQULPNOUMAOQF-LJQANCHMSA-N -1 3 338.363 2.142 20 10 EECDHM COc1cc(Cl)cc(CN2CCOC[C@@H]2[C@@H]2CCCO2)c1[O-] ZINC000377695784 467119021 /nfs/dbraw/zinc/11/90/21/467119021.db2.gz MTTKNUTXPKSKGS-KGLIPLIRSA-N -1 3 327.808 2.434 20 10 EECDHM O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)c1cc([O-])cs1 ZINC000731865726 577128658 /nfs/dbraw/zinc/12/86/58/577128658.db2.gz FAMVFFDJOXRLNA-OAHLLOKOSA-N -1 3 332.425 2.085 20 10 EECDHM COc1c([O-])c(CNCc2cccc3c2OCCO3)ccc1[N+](=O)[O-] ZINC000774941360 577424008 /nfs/dbraw/zinc/42/40/08/577424008.db2.gz JRMKHBCXDYBXPS-UHFFFAOYSA-N -1 3 346.339 2.370 20 10 EECDHM COc1c(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])cccc1C(N)=O ZINC000775056178 577428078 /nfs/dbraw/zinc/42/80/78/577428078.db2.gz YAFUYDPIBUMPTC-UHFFFAOYSA-N -1 3 347.327 2.029 20 10 EECDHM O=C(c1cc([O-])cs1)N1CCC(c2nnc3n2CCCC3)CC1 ZINC000776269491 577456091 /nfs/dbraw/zinc/45/60/91/577456091.db2.gz LCGRAWBLZCVFIX-UHFFFAOYSA-N -1 3 332.429 2.401 20 10 EECDHM O=C(Nc1ccc(N2C(=O)CCCC2=O)cc1)c1cccc(O)c1[O-] ZINC000776622170 577464704 /nfs/dbraw/zinc/46/47/04/577464704.db2.gz HTSVPVFWYZYPHC-UHFFFAOYSA-N -1 3 340.335 2.394 20 10 EECDHM CCOc1ccc(CN([C@H](C)CS(C)(=O)=O)C2CC2)c([O-])c1 ZINC000769426889 577577772 /nfs/dbraw/zinc/57/77/72/577577772.db2.gz VPPOKIDWZIXOOK-GFCCVEGCSA-N -1 3 327.446 2.188 20 10 EECDHM Cc1ccc(C(=O)Nc2ccc(CS(C)(=O)=O)cc2)c([O-])c1O ZINC000770481388 577597270 /nfs/dbraw/zinc/59/72/70/577597270.db2.gz NNMZLISQZJEXGK-UHFFFAOYSA-N -1 3 335.381 2.203 20 10 EECDHM Cn1cc(Br)c(=O)c(NC(=O)c2cc([O-])cs2)c1 ZINC000758673592 577629421 /nfs/dbraw/zinc/62/94/21/577629421.db2.gz CWBMRYHMFUZSLU-UHFFFAOYSA-N -1 3 329.175 2.167 20 10 EECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC2CCC(F)(F)CC2)c1 ZINC000762318089 577699160 /nfs/dbraw/zinc/69/91/60/577699160.db2.gz WVKIFJXWINRYAY-UHFFFAOYSA-N -1 3 348.371 2.071 20 10 EECDHM C[C@H](N[C@@H]1CCN(CC(F)(F)F)C1=O)c1cc(F)cc(F)c1[O-] ZINC000756713717 577849224 /nfs/dbraw/zinc/84/92/24/577849224.db2.gz XZQVHWCQBLMOII-WRWORJQWSA-N -1 3 338.276 2.484 20 10 EECDHM C[C@@H](N[C@H](CO)c1cnn(C)c1)c1ccc(Br)cc1[O-] ZINC000756777460 577850084 /nfs/dbraw/zinc/85/00/84/577850084.db2.gz XZXYPZVDOZXSHI-NOZJJQNGSA-N -1 3 340.221 2.272 20 10 EECDHM CCOC(=O)CCN(Cc1cccnc1)C(=O)c1cc([O-])cs1 ZINC000748364047 577960317 /nfs/dbraw/zinc/96/03/17/577960317.db2.gz 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CCCCN1CCC2(CCN(C(=O)c3cccc(O)c3[O-])CC2)C1=O ZINC001269685991 1184511264 /nfs/dbraw/zinc/51/12/64/1184511264.db2.gz IUNAEGOXTJCOQI-UHFFFAOYSA-N -1 3 346.427 2.353 20 10 EECDHM CC(=O)[C@H](C)NC(=O)[C@@H]1CC12CCN(Cc1c([O-])cccc1F)CC2 ZINC001273265788 1197889314 /nfs/dbraw/zinc/88/93/14/1197889314.db2.gz KROKXJVTGPXXRQ-WFASDCNBSA-N -1 3 348.418 2.227 20 10 EECDHM CC(=O)[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cccc(F)c1[O-] ZINC001273303915 1198001209 /nfs/dbraw/zinc/00/12/09/1198001209.db2.gz HGNXZXAIOWDJRD-IUIKQTSFSA-N -1 3 334.391 2.074 20 10 EECDHM CCn1nncc1CNCc1cc(Br)cc(F)c1[O-] ZINC000883185497 1202028095 /nfs/dbraw/zinc/02/80/95/1202028095.db2.gz XZTLGXCCVMAOSU-UHFFFAOYSA-N -1 3 329.173 2.195 20 10 EECDHM CC(=O)c1cc(F)cc(CN2CCC[C@H](S(C)(=O)=O)CC2)c1[O-] ZINC000800456499 1234158879 /nfs/dbraw/zinc/15/88/79/1234158879.db2.gz FVNOXNOUKAGKSO-AWEZNQCLSA-N -1 3 343.420 2.133 20 10 EECDHM C[C@@H]1CN(Cc2c([O-])cccc2Br)CC[S@](=O)C1 ZINC000862347118 1295802026 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KDMVFRVOADUOKM-HNNXBMFYSA-N -1 3 343.383 2.232 20 10 EECDHM Cc1cncnc1O[C@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])C1 ZINC001231453271 1303802061 /nfs/dbraw/zinc/80/20/61/1303802061.db2.gz KDMVFRVOADUOKM-HNNXBMFYSA-N -1 3 343.383 2.232 20 10 EECDHM COc1cc([O-])c(CN2C[C@@H](OC)[C@@H](OC)C2)cc1Br ZINC001233135600 1304372041 /nfs/dbraw/zinc/37/20/41/1304372041.db2.gz WITLNTGMXGRFES-OKILXGFUSA-N -1 3 346.221 2.009 20 10 EECDHM Cc1cc(CN2CCN3C(=O)OC[C@H]3C2)c([O-])cc1Br ZINC001250129004 1317217458 /nfs/dbraw/zinc/21/74/58/1317217458.db2.gz UFVJEPTWAAOJOV-LLVKDONJSA-N -1 3 341.205 2.100 20 10 EECDHM CCOC(=O)[C@@H]1CCN(Cc2c([O-])cccc2Cl)CCC1=O ZINC001140345281 1314874903 /nfs/dbraw/zinc/87/49/03/1314874903.db2.gz QZHIOYUBQXPDGA-LLVKDONJSA-N -1 3 325.792 2.390 20 10 EECDHM Fc1ccc(NC(=S)NCc2ccc(-c3nnn[n-]3)cn2)c(F)c1 ZINC001609490864 1351997188 /nfs/dbraw/zinc/99/71/88/1351997188.db2.gz FGGWIUFZQPNIAY-UHFFFAOYSA-N -1 3 347.354 2.027 20 10 EECDHM Fc1ccc(NC(=S)NCc2ccc(-c3nn[n-]n3)cn2)c(F)c1 ZINC001609490864 1351997189 /nfs/dbraw/zinc/99/71/89/1351997189.db2.gz FGGWIUFZQPNIAY-UHFFFAOYSA-N -1 3 347.354 2.027 20 10 EECDHM C[C@H]([NH2+]CCc1nnc2n1CCCCC2)c1cc(C(=O)[O-])ccc1[O-] ZINC001609780083 1352083437 /nfs/dbraw/zinc/08/34/37/1352083437.db2.gz MJAVNSJSNWMHPC-LBPRGKRZSA-N -1 3 344.415 2.302 20 10 EECDHM COC(=O)c1cc2ccccc2c(C[N@H+]2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)c1[O-] ZINC001610208461 1352186192 /nfs/dbraw/zinc/18/61/92/1352186192.db2.gz YHPRFIITEFBYFM-FOLVSLTJSA-N -1 3 341.363 2.094 20 10 EECDHM COC(=O)c1cc2ccccc2c(C[N@@H+]2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)c1[O-] ZINC001610208461 1352186195 /nfs/dbraw/zinc/18/61/95/1352186195.db2.gz YHPRFIITEFBYFM-FOLVSLTJSA-N -1 3 341.363 2.094 20 10 EECDHM O=C(NCc1ccccc1O)Nc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001593145491 1349742250 /nfs/dbraw/zinc/74/22/50/1349742250.db2.gz PEWYAJUBYSQCFF-UHFFFAOYSA-N -1 3 328.307 2.033 20 10 EECDHM O=C(NCc1ccccc1O)Nc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001593145491 1349742254 /nfs/dbraw/zinc/74/22/54/1349742254.db2.gz PEWYAJUBYSQCFF-UHFFFAOYSA-N -1 3 328.307 2.033 20 10 EECDHM C[C@@H]([NH2+]CCC(=O)Nc1ccccn1)c1cc(C(=O)[O-])ccc1[O-] ZINC001604338985 1350918896 /nfs/dbraw/zinc/91/88/96/1350918896.db2.gz SYYHMEMVCUJWMW-LLVKDONJSA-N -1 3 329.356 2.165 20 10 EECDHM CN(Cc1ccc(N2CCCC2)cc1)c1ccc(-c2nnn[n-]2)cn1 ZINC001604809860 1351012134 /nfs/dbraw/zinc/01/21/34/1351012134.db2.gz DSYNLDOEGLGZTH-UHFFFAOYSA-N -1 3 335.415 2.498 20 10 EECDHM CN(Cc1ccc(N2CCCC2)cc1)c1ccc(-c2nn[n-]n2)cn1 ZINC001604809860 1351012137 /nfs/dbraw/zinc/01/21/37/1351012137.db2.gz DSYNLDOEGLGZTH-UHFFFAOYSA-N -1 3 335.415 2.498 20 10 EECDHM COc1ccc(CNc2nc3ncccc3cc2-c2nnn[n-]2)c(O)c1 ZINC001605285248 1351124724 /nfs/dbraw/zinc/12/47/24/1351124724.db2.gz HTOOBIOBSHURCR-UHFFFAOYSA-N -1 3 349.354 2.136 20 10 EECDHM COc1ccc(CNc2nc3ncccc3cc2-c2nn[n-]n2)c(O)c1 ZINC001605285248 1351124730 /nfs/dbraw/zinc/12/47/30/1351124730.db2.gz HTOOBIOBSHURCR-UHFFFAOYSA-N -1 3 349.354 2.136 20 10 EECDHM [O-]c1c(F)cc(F)cc1CN1CCCC[C@H]1CN1CCOCC1 ZINC000893995469 780373972 /nfs/dbraw/zinc/37/39/72/780373972.db2.gz LIYQOKNXSWHKBV-HNNXBMFYSA-N -1 3 326.387 2.357 20 10 EECDHM C[C@H](CS(C)(=O)=O)N(C)Cc1c([O-])cccc1Br ZINC000707144724 786132184 /nfs/dbraw/zinc/13/21/84/786132184.db2.gz RGWALORGRPDUHT-SECBINFHSA-N -1 3 336.251 2.020 20 10 EECDHM COC(=O)[C@H]1CCN(C(=O)c2cccc(O)c2[O-])[C@H]1c1ccccc1 ZINC001148219027 792253386 /nfs/dbraw/zinc/25/33/86/792253386.db2.gz SAAGZHLBNJXVJN-BBRMVZONSA-N -1 3 341.363 2.474 20 10 EECDHM CCOC(=O)C[C@@H](NC(=O)c1cccc(O)c1[O-])c1cccc(O)c1 ZINC001148224815 792260298 /nfs/dbraw/zinc/26/02/98/792260298.db2.gz VVDSGQJCXDMRMR-CQSZACIVSA-N -1 3 345.351 2.228 20 10 EECDHM COC(Cc1ccc(NC(=O)c2cc(O)c([O-])c(O)c2)cc1)OC ZINC001148585882 792571415 /nfs/dbraw/zinc/57/14/15/792571415.db2.gz CHQSRLVOAUBAJM-UHFFFAOYSA-N -1 3 333.340 2.217 20 10 EECDHM CC(C)(C)OC(=O)N[C@H](CNC(=O)c1cccc(O)c1[O-])C1CC1 ZINC000790906808 808992147 /nfs/dbraw/zinc/99/21/47/808992147.db2.gz FNCPROIQQWDFEC-GFCCVEGCSA-N -1 3 336.388 2.131 20 10 EECDHM CCO[C@@H]1C[C@@H](NC(=O)c2cccc(O)c2[O-])[C@H]1Oc1ccccc1 ZINC000790941168 809012842 /nfs/dbraw/zinc/01/28/42/809012842.db2.gz SADREHPRILBARD-QGPMSJSTSA-N -1 3 343.379 2.453 20 10 EECDHM O=C(/C=C/c1ccc(N2CCOCC2)cc1)[N-]O[C@@H]1CCCCO1 ZINC000108792219 237120751 /nfs/dbraw/zinc/12/07/51/237120751.db2.gz CKMAHUMAADONLI-AHKGRUIUSA-N -1 3 332.400 2.111 20 10 EECDHM COc1ccc(C2=NO[C@H](CNC(=O)c3cccc(O)c3[O-])C2)cc1 ZINC000374780699 533431382 /nfs/dbraw/zinc/43/13/82/533431382.db2.gz OPBINDKEBXIDQD-ZDUSSCGKSA-N -1 3 342.351 2.029 20 10 EECDHM CN(CCCN(C)C(=O)c1c([O-])c(O)ccc1F)Cc1ccco1 ZINC000295778941 464961460 /nfs/dbraw/zinc/96/14/60/464961460.db2.gz QKHACABFLNWCHA-UHFFFAOYSA-N -1 3 336.363 2.424 20 10 EECDHM Cc1ccc(C(=O)N2CCC[C@@H]2CN2C[C@@H](C)O[C@@H](C)C2)c([O-])c1O ZINC000177676304 463763905 /nfs/dbraw/zinc/76/39/05/463763905.db2.gz LRRUECFDSARTAB-QLFBSQMISA-N -1 3 348.443 2.120 20 10 EECDHM COC(=O)N1CC(N[C@@H](C)c2ccc(Br)cc2[O-])C1 ZINC000186137757 463941488 /nfs/dbraw/zinc/94/14/88/463941488.db2.gz KMWUYPZCWDCORC-QMMMGPOBSA-N -1 3 329.194 2.256 20 10 EECDHM Cc1cccc(CN2CCN(C(=O)c3cccc(O)c3[O-])CC2)c1 ZINC000186781790 464065122 /nfs/dbraw/zinc/06/51/22/464065122.db2.gz OOALBZDAZVGOSO-UHFFFAOYSA-N -1 3 326.396 2.364 20 10 EECDHM O=C(c1cccc(O)c1[O-])N1CCN(CCc2ccccc2)CC1 ZINC000186813579 464068090 /nfs/dbraw/zinc/06/80/90/464068090.db2.gz BJXQUHUNXFQVKW-UHFFFAOYSA-N -1 3 326.396 2.098 20 10 EECDHM Cc1cc(CNC(=O)c2cccc(O)c2[O-])cc(N2CCCC2)n1 ZINC000290533821 464123339 /nfs/dbraw/zinc/12/33/39/464123339.db2.gz LAPVKOAVJATCTJ-UHFFFAOYSA-N -1 3 327.384 2.331 20 10 EECDHM C[C@H](N[C@H]1CCN(CC(F)(F)F)C1=O)c1ccc(F)c(F)c1[O-] ZINC000187780714 464161349 /nfs/dbraw/zinc/16/13/49/464161349.db2.gz VJJNHEXSHPEMPN-XVKPBYJWSA-N -1 3 338.276 2.484 20 10 EECDHM CC[C@H]1CCC[C@@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000271420308 464307020 /nfs/dbraw/zinc/30/70/20/464307020.db2.gz OUQQNHGERQMTGU-GWCFXTLKSA-N -1 3 326.418 2.072 20 10 EECDHM COC(=O)[C@H](NCc1cc(F)ccc1[O-])c1ccc2c(c1)CCO2 ZINC000189622874 464533906 /nfs/dbraw/zinc/53/39/06/464533906.db2.gz SNXOAGWUCQFAES-QGZVFWFLSA-N -1 3 331.343 2.470 20 10 EECDHM CN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000275118316 464765087 /nfs/dbraw/zinc/76/50/87/464765087.db2.gz LVUIYMXNCDVXAD-LLVKDONJSA-N -1 3 336.388 2.179 20 10 EECDHM COc1ccc2c(c1)OC[C@H](NC(=O)c1ccc(C)c(O)c1[O-])C2 ZINC000364711514 466712620 /nfs/dbraw/zinc/71/26/20/466712620.db2.gz ZEFMTGPSYUSFOW-GFCCVEGCSA-N -1 3 329.352 2.148 20 10 EECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC3(CCC3)CC2)c1 ZINC000376475574 466914662 /nfs/dbraw/zinc/91/46/62/466914662.db2.gz UUDCLJBZQAHBOM-UHFFFAOYSA-N -1 3 338.429 2.170 20 10 EECDHM [O-]c1ccc(Cl)c(F)c1CN1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000373823386 466932510 /nfs/dbraw/zinc/93/25/10/466932510.db2.gz CVEZQYVHGOTGLR-DZGCQCFKSA-N -1 3 328.815 2.216 20 10 EECDHM CCCN(CC(=O)OC(C)(C)C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000758279586 577620779 /nfs/dbraw/zinc/62/07/79/577620779.db2.gz SKZCWCQMVHPOTF-HNNXBMFYSA-N -1 3 337.416 2.372 20 10 EECDHM Cc1ccc(C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)c([O-])c1O ZINC000751533318 577755033 /nfs/dbraw/zinc/75/50/33/577755033.db2.gz NSTKESCQAFWCPO-SECBINFHSA-N -1 3 328.324 2.378 20 10 EECDHM CCNC(=O)[C@H](C)N[C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000756355689 577842636 /nfs/dbraw/zinc/84/26/36/577842636.db2.gz QTSPTRFMGONMTN-YUMQZZPRSA-N -1 3 333.201 2.469 20 10 EECDHM CCO[C@@H](C)c1noc(CN(C)Cc2cc3c(cc2[O-])OCO3)n1 ZINC000743371821 577884187 /nfs/dbraw/zinc/88/41/87/577884187.db2.gz VKYCVXPXJXXLOX-JTQLQIEISA-N -1 3 335.360 2.233 20 10 EECDHM CC[C@@H]1C(=O)NCCCN1Cc1ccc(Br)cc1[O-] ZINC000898548556 693367841 /nfs/dbraw/zinc/36/78/41/693367841.db2.gz XWUQCERHJOBYCD-GFCCVEGCSA-N -1 3 327.222 2.255 20 10 EECDHM C[C@H]1CCN(Cc2ccc(Br)cc2[O-])CC[S@@]1=O ZINC000825699306 1198719869 /nfs/dbraw/zinc/71/98/69/1198719869.db2.gz UDPFHCJYDKPKJA-YPMLDQLKSA-N -1 3 332.263 2.498 20 10 EECDHM [O-]c1cc(F)cc(F)c1CN1CCCC2(CN(Cc3cn[nH]c3)C2)C1 ZINC001275306371 1205304404 /nfs/dbraw/zinc/30/44/04/1205304404.db2.gz FJBMNAYAHPQVRN-UHFFFAOYSA-N -1 3 348.397 2.492 20 10 EECDHM CCCNC(=O)c1cccc(CNC(=O)c2cccc(O)c2[O-])c1 ZINC000192986045 1210678121 /nfs/dbraw/zinc/67/81/21/1210678121.db2.gz VTEGJEWCOGAAHK-UHFFFAOYSA-N -1 3 328.368 2.168 20 10 EECDHM N#Cc1ccc(N2CCN(C(=O)c3cccc(O)c3[O-])CC2)c(F)c1 ZINC000193000013 1210684840 /nfs/dbraw/zinc/68/48/40/1210684840.db2.gz NJNJFGNNUPJVKA-UHFFFAOYSA-N -1 3 341.342 2.071 20 10 EECDHM CC(C)CN1CC[C@]2(CCC[N@@H+]2Cc2ccc(C(=O)[O-])cc2[O-])C1=O ZINC001273706080 1283725418 /nfs/dbraw/zinc/72/54/18/1283725418.db2.gz BZRRDRGBKHYXDJ-LJQANCHMSA-N -1 3 346.427 2.313 20 10 EECDHM CC(C)CN1CC[C@]2(CCC[N@H+]2Cc2ccc(C(=O)[O-])cc2[O-])C1=O ZINC001273706080 1283725425 /nfs/dbraw/zinc/72/54/25/1283725425.db2.gz BZRRDRGBKHYXDJ-LJQANCHMSA-N -1 3 346.427 2.313 20 10 EECDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@H]1COC(C)(C)O1 ZINC000851840183 1291876108 /nfs/dbraw/zinc/87/61/08/1291876108.db2.gz BFIRPAHMYFTCNQ-ZDUSSCGKSA-N -1 3 343.807 2.172 20 10 EECDHM CCOC(=O)[C@H](Cc1ccccc1)N(C)C(=O)c1cccc(O)c1[O-] ZINC000857283636 1293781758 /nfs/dbraw/zinc/78/17/58/1293781758.db2.gz KKRKUNGWELSYRR-HNNXBMFYSA-N -1 3 343.379 2.344 20 10 EECDHM O=C(Nc1cn[nH]c1)[C@@H]1CC12CN(Cc1cc(Cl)ccc1[O-])C2 ZINC001277457505 1303229700 /nfs/dbraw/zinc/22/97/00/1303229700.db2.gz IMONMSBBPGYGSD-ZDUSSCGKSA-N -1 3 332.791 2.229 20 10 EECDHM [O-]c1ccc(F)c(F)c1CN1CC[C@]2(CCN2c2ncccn2)C1 ZINC001233333561 1304434969 /nfs/dbraw/zinc/43/49/69/1304434969.db2.gz ZVEBJFMSWCYUKO-KRWDZBQOSA-N -1 3 332.354 2.315 20 10 EECDHM COC(=O)[C@H]1CN(Cc2cc(Cl)c(C(C)(C)C)cc2[O-])CCN1 ZINC001235443367 1305233492 /nfs/dbraw/zinc/23/34/92/1305233492.db2.gz OBEQKBHIDQBPDL-CQSZACIVSA-N -1 3 340.851 2.290 20 10 EECDHM Cc1cc(Br)c([O-])c(CN2CC3(C2)CCN(C)C3=O)c1 ZINC001236668861 1305630638 /nfs/dbraw/zinc/63/06/38/1305630638.db2.gz FMIMKJQPSLAELL-UHFFFAOYSA-N -1 3 339.233 2.127 20 10 EECDHM CN(C)C(=O)[C@@H]1C[C@@H]2[C@@H](CCN2Cc2c([O-])ccc(F)c2Cl)O1 ZINC001237124815 1305806104 /nfs/dbraw/zinc/80/61/04/1305806104.db2.gz SNEIACRRZAMGHX-BNOWGMLFSA-N -1 3 342.798 2.005 20 10 EECDHM C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CN1C(=O)c1cccc(O)c1[O-] ZINC001119327944 1309049113 /nfs/dbraw/zinc/04/91/13/1309049113.db2.gz RIYLBKKZTDVADU-QWRGUYRKSA-N -1 3 336.388 2.226 20 10 EECDHM CC1(C)CS(=O)(=O)CCN1Cc1cc(Br)ccc1[O-] ZINC000843409861 1315910032 /nfs/dbraw/zinc/91/00/32/1315910032.db2.gz XCKABSIGGWRZAC-UHFFFAOYSA-N -1 3 348.262 2.164 20 10 EECDHM CN(C)c1ccc(CNC(=O)c2cscc2-c2nnn[n-]2)cc1F ZINC001609270560 1351917265 /nfs/dbraw/zinc/91/72/65/1351917265.db2.gz IBASFDBJYOSEBI-UHFFFAOYSA-N -1 3 346.391 2.063 20 10 EECDHM CN(C)c1ccc(CNC(=O)c2cscc2-c2nn[n-]n2)cc1F ZINC001609270560 1351917267 /nfs/dbraw/zinc/91/72/67/1351917267.db2.gz IBASFDBJYOSEBI-UHFFFAOYSA-N -1 3 346.391 2.063 20 10 EECDHM C[C@H]([NH2+]C[C@@]1(C)CCCC[C@H]1O)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589977793 1349089205 /nfs/dbraw/zinc/08/92/05/1349089205.db2.gz JFAJBSKJGPRRKP-FABXCBLPSA-N -1 3 331.420 2.164 20 10 EECDHM C[C@H]([NH2+]CC1(O)CCC(C)CC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590241423 1349220446 /nfs/dbraw/zinc/22/04/46/1349220446.db2.gz WFLLCYFURNQJCD-JKGQDXBKSA-N -1 3 331.420 2.164 20 10 EECDHM CCN(CC)c1ccc(CNc2c(-c3nnn[n-]3)cnn2C)cc1 ZINC001590689527 1349390301 /nfs/dbraw/zinc/39/03/01/1349390301.db2.gz ULTDBRYVPRJLAL-UHFFFAOYSA-N -1 3 326.408 2.059 20 10 EECDHM CCN(CC)c1ccc(CNc2c(-c3nn[n-]n3)cnn2C)cc1 ZINC001590689527 1349390309 /nfs/dbraw/zinc/39/03/09/1349390309.db2.gz ULTDBRYVPRJLAL-UHFFFAOYSA-N -1 3 326.408 2.059 20 10 EECDHM Oc1ccccc1CNC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC001593539789 1349836605 /nfs/dbraw/zinc/83/66/05/1349836605.db2.gz GVWZBRBWRJTHNF-UHFFFAOYSA-N -1 3 326.385 2.059 20 10 EECDHM Oc1ccccc1CNC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC001593539789 1349836613 /nfs/dbraw/zinc/83/66/13/1349836613.db2.gz GVWZBRBWRJTHNF-UHFFFAOYSA-N -1 3 326.385 2.059 20 10 EECDHM C[C@@H](C[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-])CC1(C)OCCO1 ZINC001603552185 1350719430 /nfs/dbraw/zinc/71/94/30/1350719430.db2.gz SSLVZSUOUTWEGM-VXGBXAGGSA-N -1 3 347.419 2.012 20 10 EECDHM C[C@@H]([NH2+]C[C@@H]1Cc2ccccc2O1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603655871 1350735020 /nfs/dbraw/zinc/73/50/20/1350735020.db2.gz CFNFYLDHXFXBOB-YPMHNXCESA-N -1 3 337.383 2.227 20 10 EECDHM C[C@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603657358 1350735371 /nfs/dbraw/zinc/73/53/71/1350735371.db2.gz LZYDSURNJKGPHT-NWDGAFQWSA-N -1 3 329.404 2.325 20 10 EECDHM CC[C@@H]([NH2+]CCCC(C)(C)CO)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604055365 1350842121 /nfs/dbraw/zinc/84/21/21/1350842121.db2.gz MUAPZDIEHKQFQS-CQSZACIVSA-N -1 3 333.436 2.412 20 10 EECDHM COc1cc(Br)cc(C[N@H+](CC(=O)[O-])C2CC2)c1[O-] ZINC001607055548 1351404568 /nfs/dbraw/zinc/40/45/68/1351404568.db2.gz TWLJJEDDJMQLRO-UHFFFAOYSA-N -1 3 330.178 2.212 20 10 EECDHM COc1cc(Br)cc(C[N@@H+](CC(=O)[O-])C2CC2)c1[O-] ZINC001607055548 1351404569 /nfs/dbraw/zinc/40/45/69/1351404569.db2.gz TWLJJEDDJMQLRO-UHFFFAOYSA-N -1 3 330.178 2.212 20 10 EECDHM C[C@H]1CN(Cc2c([O-])cccc2Br)C[C@H](C)S1=O ZINC000862342070 1369531059 /nfs/dbraw/zinc/53/10/59/1369531059.db2.gz MNBIYCCQWMHBHN-UWVGGRQHSA-N -1 3 332.263 2.496 20 10 EECDHM CCn1nnc2c1[C@H](COC)CN(Cc1ccc(Cl)cc1[O-])C2 ZINC001140462959 1372580177 /nfs/dbraw/zinc/58/01/77/1372580177.db2.gz PUGTZCFMDGOXQA-LBPRGKRZSA-N -1 3 336.823 2.403 20 10 EECDHM O=C(NCCC1=CCN(c2cnc(F)cn2)CC1)c1ccccc1[O-] ZINC001089811773 776178600 /nfs/dbraw/zinc/17/86/00/776178600.db2.gz KUFCMYHRKLLMBE-UHFFFAOYSA-N -1 3 342.374 2.278 20 10 EECDHM CCCN(Cc1cc(Cl)c(F)cc1[O-])[C@H]1CC(=O)N(C)C1=O ZINC000816601053 784146409 /nfs/dbraw/zinc/14/64/09/784146409.db2.gz PWDSLBXZVDUHNK-LBPRGKRZSA-N -1 3 328.771 2.154 20 10 EECDHM CCOC[C@@H]1CN(Cc2c([O-])cccc2Br)CCO1 ZINC000707144795 786138114 /nfs/dbraw/zinc/13/81/14/786138114.db2.gz UCNKHKGUUIWVOM-NSHDSACASA-N -1 3 330.222 2.392 20 10 EECDHM O=C1CN(Cc2ccc(Br)cc2[O-])[C@H]2CCCC[C@@H]2N1 ZINC000824645805 788254820 /nfs/dbraw/zinc/25/48/20/788254820.db2.gz PXRHMOCPHNLGJF-STQMWFEESA-N -1 3 339.233 2.398 20 10 EECDHM CC(C)N1CCN(Cc2ccc(Br)cc2[O-])CC1=O ZINC000825474677 788646335 /nfs/dbraw/zinc/64/63/35/788646335.db2.gz DWZOJPUJKRGALT-UHFFFAOYSA-N -1 3 327.222 2.207 20 10 EECDHM CC(C)(C)OC(=O)Nc1cnc(NC(=O)c2cccc(O)c2[O-])cn1 ZINC001148212129 792245783 /nfs/dbraw/zinc/24/57/83/792245783.db2.gz NKEWCFJYNDJSIW-UHFFFAOYSA-N -1 3 346.343 2.487 20 10 EECDHM C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)c1cccc(O)c1[O-] ZINC001148218943 792253499 /nfs/dbraw/zinc/25/34/99/792253499.db2.gz PCHVFGGNELIZLJ-CYBMUJFWSA-N -1 3 340.379 2.085 20 10 EECDHM O=C(Nc1cnc(-c2ccc(O)cc2)nc1)c1cc(O)c([O-])c(O)c1 ZINC001148581784 792566506 /nfs/dbraw/zinc/56/65/06/792566506.db2.gz AJZBKFMRYVRLCE-UHFFFAOYSA-N -1 3 339.307 2.218 20 10 EECDHM O=C(NCc1cccnc1N1CCCCC1)c1cccc(O)c1[O-] ZINC000790576854 808833617 /nfs/dbraw/zinc/83/36/17/808833617.db2.gz OAYSWIBBOOEDTP-UHFFFAOYSA-N -1 3 327.384 2.413 20 10 EECDHM C[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001593198864 994175365 /nfs/dbraw/zinc/17/53/65/994175365.db2.gz VCNUWGMPOGBKFR-KBPBESRZSA-N -1 3 347.459 2.115 20 10 EECDHM C[C@@H]([NH2+][C@@H](CO)Cc1ccc(F)cc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593207105 994214684 /nfs/dbraw/zinc/21/46/84/994214684.db2.gz AVUJISUABDOQTQ-IAQYHMDHSA-N -1 3 333.359 2.484 20 10 EECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]3CCC[C@H]32)c1 ZINC000091682085 533420432 /nfs/dbraw/zinc/42/04/32/533420432.db2.gz UDFRPDYWCJCFTG-BXUZGUMPSA-N -1 3 338.429 2.168 20 10 EECDHM O=C(NCC1CCN(c2ccncc2)CC1)c1c(F)ccc(O)c1[O-] ZINC000297631494 465264510 /nfs/dbraw/zinc/26/45/10/465264510.db2.gz XCEYEMBMHCWOBC-UHFFFAOYSA-N -1 3 345.374 2.278 20 10 EECDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)[C@@H]1CCOC1 ZINC000158085096 463202814 /nfs/dbraw/zinc/20/28/14/463202814.db2.gz UNNUSFGETZTVKT-IUODEOHRSA-N -1 3 338.835 2.163 20 10 EECDHM COCCN(C(C)=O)c1nc(CN(C)Cc2ccccc2[O-])cs1 ZINC000072964113 463567308 /nfs/dbraw/zinc/56/73/08/463567308.db2.gz NNMKHTDSPARQNP-UHFFFAOYSA-N -1 3 349.456 2.480 20 10 EECDHM Cc1ccc(C(=O)N2CCC[C@H](CNC(=O)C(C)C)C2)c([O-])c1O ZINC000177679692 463763748 /nfs/dbraw/zinc/76/37/48/463763748.db2.gz VKPRLEVUAXLCAN-CYBMUJFWSA-N -1 3 334.416 2.031 20 10 EECDHM CN(C(=O)c1cccc(O)c1[O-])[C@@H]1CCCN(c2ccccc2)C1=O ZINC000185668573 463859977 /nfs/dbraw/zinc/85/99/77/463859977.db2.gz CIMQHGMTEVZOSH-OAHLLOKOSA-N -1 3 340.379 2.365 20 10 EECDHM C[C@@H](N[C@@H]1CCN(c2cnn(C)c2)C1=O)c1cc(Cl)ccc1[O-] ZINC000186054226 463928527 /nfs/dbraw/zinc/92/85/27/463928527.db2.gz GOHXLFLFRGCMHB-QMTHXVAHSA-N -1 3 334.807 2.235 20 10 EECDHM [O-]c1ccc(Br)cc1CN1CCOC[C@]12CCOC2 ZINC000195017287 463976074 /nfs/dbraw/zinc/97/60/74/463976074.db2.gz TXVBVBWGJQCXOV-CQSZACIVSA-N -1 3 328.206 2.146 20 10 EECDHM C[C@@H]1CCCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000187097926 464097583 /nfs/dbraw/zinc/09/75/83/464097583.db2.gz 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CNC(=O)c1cccc(CN[C@@H](C)c2cc(C(=O)OC)ccc2[O-])c1 ZINC000273361141 464712069 /nfs/dbraw/zinc/71/20/69/464712069.db2.gz CZYNAAUMSZBTDV-LBPRGKRZSA-N -1 3 342.395 2.389 20 10 EECDHM Cc1ccc(C(=O)NC(C)(C)C(=O)NCC2CCCC2)c([O-])c1O ZINC000182847397 464741457 /nfs/dbraw/zinc/74/14/57/464741457.db2.gz MZENZRHUDPMPQQ-UHFFFAOYSA-N -1 3 334.416 2.221 20 10 EECDHM COc1cc2c(cc1OC)CN(C(=O)c1cccc(O)c1[O-])CC2 ZINC000274892945 464757902 /nfs/dbraw/zinc/75/79/02/464757902.db2.gz MIRRCSDPSRCUAC-UHFFFAOYSA-N -1 3 329.352 2.314 20 10 EECDHM C[C@H](CNC(=O)c1c(F)ccc(O)c1[O-])N(C)Cc1ccccc1 ZINC000295272553 464770543 /nfs/dbraw/zinc/77/05/43/464770543.db2.gz ONZJJHONQQDNBF-GFCCVEGCSA-N -1 3 332.375 2.487 20 10 EECDHM CC(=O)c1cc(Cl)cc(CN(CCO)C2CCOCC2)c1[O-] ZINC000275545221 464779677 /nfs/dbraw/zinc/77/96/77/464779677.db2.gz MEMIHZNSRLWZNP-UHFFFAOYSA-N -1 3 327.808 2.222 20 10 EECDHM O=C(NCc1ccccc1CN1CCCC1=O)c1cccc(O)c1[O-] ZINC000192975522 534683362 /nfs/dbraw/zinc/68/33/62/534683362.db2.gz 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O=C1[N-]C(=O)C(=CNCc2ccc(N3CC=CC3)cc2)c2ccccc21 ZINC000255752266 679831142 /nfs/dbraw/zinc/83/11/42/679831142.db2.gz AOJLFGIVZIBFMP-RGEXLXHISA-N -1 3 345.402 2.464 20 10 EECDHM Cn1c(CCNC(=O)c2cccc(O)c2[O-])nc2cc(F)ccc21 ZINC000188442327 1208714202 /nfs/dbraw/zinc/71/42/02/1208714202.db2.gz WXPWTXIWRHQNEJ-UHFFFAOYSA-N -1 3 329.331 2.096 20 10 EECDHM Cc1cc(CN2C[C@H]3C[C@@H](C2)N3Cc2c([O-])cccc2F)n(C)n1 ZINC001276359922 1213966889 /nfs/dbraw/zinc/96/68/89/1213966889.db2.gz NNSWAMLWKPWZPO-GASCZTMLSA-N -1 3 330.407 2.032 20 10 EECDHM C[C@H]1CCC(C)(C)N1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000854897730 1292984659 /nfs/dbraw/zinc/98/46/59/1292984659.db2.gz GQEAAEVLBPKFKM-JTQLQIEISA-N -1 3 326.418 2.167 20 10 EECDHM CC[C@@H]1CC[C@@H](C)N(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000855932007 1293372448 /nfs/dbraw/zinc/37/24/48/1293372448.db2.gz HXXSCVWZWPOQEU-VXGBXAGGSA-N -1 3 340.445 2.414 20 10 EECDHM C[C@H](NCc1c([O-])cccc1Br)c1nnnn1C1CC1 ZINC000858160485 1294028050 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338.363 2.186 20 10 EECDHM CCc1nc(C2CC[NH+](Cc3ccc(C(=O)[O-])cc3[O-])CC2)no1 ZINC001231455939 1303804658 /nfs/dbraw/zinc/80/46/58/1303804658.db2.gz YHWGYCFCQBMEQW-UHFFFAOYSA-N -1 3 331.372 2.415 20 10 EECDHM COC[C@H]1Cn2ccnc2CN(Cc2cc(Cl)c([O-])cc2O)C1 ZINC001232257391 1304054399 /nfs/dbraw/zinc/05/43/99/1304054399.db2.gz DTLWNRVBRPJGBB-LLVKDONJSA-N -1 3 337.807 2.226 20 10 EECDHM CCN(C)C(=O)CO[C@H]1CCCN(Cc2c([O-])ccc(F)c2F)C1 ZINC001233336201 1304435694 /nfs/dbraw/zinc/43/56/94/1304435694.db2.gz CCFISOHHDDXPNH-LBPRGKRZSA-N -1 3 342.386 2.130 20 10 EECDHM CO[C@H](C)COc1cc([O-])cc2oc3cc(O)c(O)cc3c(=O)c12 ZINC001234749450 1305018720 /nfs/dbraw/zinc/01/87/20/1305018720.db2.gz TUKSGFCWONPGOG-MRVPVSSYSA-N -1 3 332.308 2.477 20 10 EECDHM COC(=O)CC1CN(Cc2c([O-])cc(OC)cc2Br)C1 ZINC001237072721 1305787749 /nfs/dbraw/zinc/78/77/49/1305787749.db2.gz JJQWPCJXVATGBS-UHFFFAOYSA-N -1 3 344.205 2.158 20 10 EECDHM [O-]c1cccc(Br)c1CN1CC[C@](O)(CF)[C@@H](F)C1 ZINC001140099099 1314810903 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Oc1[n-]c(NCc2ccc(N3CCSCC3)cc2)nc2nncc1-2 ZINC000302351901 466134114 /nfs/dbraw/zinc/13/41/14/466134114.db2.gz YKDZUEQZUFUQKD-UHFFFAOYSA-N -1 3 342.428 2.224 20 10 EECDHM CC(=O)c1cc(Cl)cc(CN2CCN(C[C@@H](C)O)C[C@@H]2C)c1[O-] ZINC000192810657 527207403 /nfs/dbraw/zinc/20/74/03/527207403.db2.gz JELGGZWYDCZICY-NWDGAFQWSA-N -1 3 340.851 2.135 20 10 EECDHM O=C(N[C@@H](CN1CCOCC1)c1ccccc1)c1cc([O-])cs1 ZINC000732267259 577161976 /nfs/dbraw/zinc/16/19/76/577161976.db2.gz VQGSIOIHOBRCBK-HNNXBMFYSA-N -1 3 332.425 2.257 20 10 EECDHM COc1ccc(CN(CCO)C(=O)c2cc([O-])cs2)c(OC)c1 ZINC000732305571 577164702 /nfs/dbraw/zinc/16/47/02/577164702.db2.gz PASDQCRQZMXFML-UHFFFAOYSA-N -1 3 337.397 2.106 20 10 EECDHM O=C(COC(=O)c1cc([O-])cs1)NCCCOC1CCCCC1 ZINC000732353441 577174732 /nfs/dbraw/zinc/17/47/32/577174732.db2.gz OZXKRVXRLANWQX-UHFFFAOYSA-N -1 3 341.429 2.466 20 10 EECDHM CN1CCN(c2ccc(/C=C3/C(=O)[N-]C(=O)c4ccccc43)cc2)CC1 ZINC000771517246 577216730 /nfs/dbraw/zinc/21/67/30/577216730.db2.gz 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ZINC000768737028 577561637 /nfs/dbraw/zinc/56/16/37/577561637.db2.gz ZCPBILGOCMNOQX-SNVBAGLBSA-N -1 3 335.381 2.497 20 10 EECDHM Cc1ccc(C(=O)NC[C@]2(CO)C[C@@H]2c2ccc(F)cc2)c([O-])c1O ZINC000760577321 577666165 /nfs/dbraw/zinc/66/61/65/577666165.db2.gz PXFASLJQTDPSHM-BEFAXECRSA-N -1 3 345.370 2.441 20 10 EECDHM CC(=O)c1cc(F)cc(CN2CCN(C(=O)N3CCCC3)CC2)c1[O-] ZINC000750816976 577743186 /nfs/dbraw/zinc/74/31/86/577743186.db2.gz GMNCHCWTJPAZEB-UHFFFAOYSA-N -1 3 349.406 2.067 20 10 EECDHM O=S1(=O)CCN(Cc2c([O-])ccc3ccncc32)[C@H]2CCCC[C@@H]21 ZINC000754009984 577798515 /nfs/dbraw/zinc/79/85/15/577798515.db2.gz IIZKGUIHQGZDOG-WMZOPIPTSA-N -1 3 346.452 2.482 20 10 EECDHM COc1cc(-c2nnn[n-]2)ccc1CN(C)c1ccc2c(c1)OCO2 ZINC000826168327 608374344 /nfs/dbraw/zinc/37/43/44/608374344.db2.gz JVXBMPYHZWMTIH-UHFFFAOYSA-N -1 3 339.355 2.240 20 10 EECDHM COc1cc(-c2nn[n-]n2)ccc1CN(C)c1ccc2c(c1)OCO2 ZINC000826168327 608374346 /nfs/dbraw/zinc/37/43/46/608374346.db2.gz JVXBMPYHZWMTIH-UHFFFAOYSA-N -1 3 339.355 2.240 20 10 EECDHM COc1cccc(CNc2nc(C)cc(C)c2-c2nnn[n-]2)c1O ZINC000826215918 608377622 /nfs/dbraw/zinc/37/76/22/608377622.db2.gz CDONBMRWEFRLIE-UHFFFAOYSA-N -1 3 326.360 2.205 20 10 EECDHM COc1cccc(CNc2nc(C)cc(C)c2-c2nn[n-]n2)c1O ZINC000826215918 608377624 /nfs/dbraw/zinc/37/76/24/608377624.db2.gz CDONBMRWEFRLIE-UHFFFAOYSA-N -1 3 326.360 2.205 20 10 EECDHM COc1c([O-])c(CN2c3ccccc3C[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000895241145 684362422 /nfs/dbraw/zinc/36/24/22/684362422.db2.gz DGQSMKMOUZYZCA-CYBMUJFWSA-N -1 3 330.340 2.233 20 10 EECDHM CC[C@@](C)(CC(=O)[O-])C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899854135 693901196 /nfs/dbraw/zinc/90/11/96/693901196.db2.gz FZWWXJHQIXWVRT-LPHOPBHVSA-N -1 3 349.475 2.363 20 10 EECDHM CCCCN1C[C@]2(CC1=O)CCCCN2C(=O)c1cccc(O)c1[O-] ZINC001269685988 1184511452 /nfs/dbraw/zinc/51/14/52/1184511452.db2.gz ISIXEOMVORMTNA-LJQANCHMSA-N -1 3 346.427 2.495 20 10 EECDHM CC(C)NC(=O)N1C[C@@H]2CCN(Cc3cc(F)c(F)cc3[O-])[C@@H]2C1 ZINC001275775320 1205521831 /nfs/dbraw/zinc/52/18/31/1205521831.db2.gz ZGBRKTXRLSZXKX-XHDPSFHLSA-N -1 3 339.386 2.295 20 10 EECDHM O=C(NC[C@](O)(c1ccccc1)C(F)(F)F)c1cccc(O)c1[O-] ZINC000193007697 1210687228 /nfs/dbraw/zinc/68/72/28/1210687228.db2.gz FXEQLGXLCCFDEC-HNNXBMFYSA-N -1 3 341.285 2.278 20 10 EECDHM CCC[C@@H]1C(=O)NCCN1Cc1cc(Br)ccc1[O-] ZINC000093771279 1214947154 /nfs/dbraw/zinc/94/71/54/1214947154.db2.gz RSFBZJPQGIHUSW-GFCCVEGCSA-N -1 3 327.222 2.255 20 10 EECDHM C[C@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)c1cccc(O)c1[O-] ZINC000800683076 1234431494 /nfs/dbraw/zinc/43/14/94/1234431494.db2.gz QGEPKIHKGWGOTR-CYBMUJFWSA-N -1 3 342.395 2.389 20 10 EECDHM CC(C)CN1CC[C@]2(CC[N@H+](Cc3cc(C(=O)[O-])ccc3[O-])C2)C1=O ZINC001273740141 1284521415 /nfs/dbraw/zinc/52/14/15/1284521415.db2.gz HHDAVZLBLOLPES-IBGZPJMESA-N -1 3 346.427 2.171 20 10 EECDHM CC(C)CN1CC[C@]2(CC[N@@H+](Cc3cc(C(=O)[O-])ccc3[O-])C2)C1=O ZINC001273740141 1284521421 /nfs/dbraw/zinc/52/14/21/1284521421.db2.gz HHDAVZLBLOLPES-IBGZPJMESA-N -1 3 346.427 2.171 20 10 EECDHM C[C@H]1CCN(Cc2c([O-])cccc2Br)[C@H](C(N)=O)C1 ZINC000862332492 1295796579 /nfs/dbraw/zinc/79/65/79/1295796579.db2.gz ISRYWAAHZHXBQJ-CABZTGNLSA-N -1 3 327.222 2.241 20 10 EECDHM O=C1c2ccc(O[C@H]3CCNC[C@@H]3F)cc2C(=O)c2ccc([O-])cc21 ZINC001218064671 1297560897 /nfs/dbraw/zinc/56/08/97/1297560897.db2.gz AJSRINHAPCRSBW-IRXDYDNUSA-N -1 3 341.338 2.246 20 10 EECDHM CS(=O)(=O)C1CCN(Cc2ccc(Br)cc2[O-])CC1 ZINC000691676972 1303786063 /nfs/dbraw/zinc/78/60/63/1303786063.db2.gz MKFHXQWJCNSOOG-UHFFFAOYSA-N -1 3 348.262 2.164 20 10 EECDHM CCOC(=O)c1sc(-c2ccc([O-])c(CN3CC(O)C3)c2)nc1C ZINC001232451781 1304129766 /nfs/dbraw/zinc/12/97/66/1304129766.db2.gz OUGKGFRXMYNBEW-UHFFFAOYSA-N -1 3 348.424 2.177 20 10 EECDHM O=C1NC[C@@]2(CCCN(Cc3cccc(C(F)(F)F)c3[O-])C2)O1 ZINC001233418811 1304461211 /nfs/dbraw/zinc/46/12/11/1304461211.db2.gz XDUUZDPCIBCYAA-CQSZACIVSA-N -1 3 330.306 2.485 20 10 EECDHM C[C@@H]1CC[C@H](O)CN1Cc1cccc(I)c1[O-] ZINC001237776759 1306084135 /nfs/dbraw/zinc/08/41/35/1306084135.db2.gz LCHMAGOEBOZECC-KOLCDFICSA-N -1 3 347.196 2.342 20 10 EECDHM C[C@@H]1CN(Cc2cccc(I)c2[O-])CCN1C ZINC001237780031 1306087866 /nfs/dbraw/zinc/08/78/66/1306087866.db2.gz LKZDTBUSZHGEDU-SNVBAGLBSA-N -1 3 346.212 2.133 20 10 EECDHM [O-]c1cccc(F)c1CN1CCc2nnc(Cn3cccc3)n2CC1 ZINC001137834344 1314499749 /nfs/dbraw/zinc/49/97/49/1314499749.db2.gz CYYVCPCIDBNKDJ-UHFFFAOYSA-N -1 3 341.390 2.031 20 10 EECDHM [O-]c1cccc(Br)c1CN1CCN(c2ccncn2)CC1 ZINC001140103717 1314811885 /nfs/dbraw/zinc/81/18/85/1314811885.db2.gz SPOMKMHTUGMKAG-UHFFFAOYSA-N -1 3 349.232 2.267 20 10 EECDHM [O-]c1cc(F)c(F)cc1CN1CC[C@H](Oc2ncc(F)cn2)C1 ZINC001142531261 1315652699 /nfs/dbraw/zinc/65/26/99/1315652699.db2.gz QQJWAEWXGPIJKJ-NSHDSACASA-N -1 3 325.290 2.253 20 10 EECDHM CC(C)(C)N1CC[C@@H](NCc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1=O ZINC000842721764 1315761943 /nfs/dbraw/zinc/76/19/43/1315761943.db2.gz WRCGTPFAECGECO-LLVKDONJSA-N -1 3 341.795 2.443 20 10 EECDHM O=c1cccc(CN2CCC23CN(Cc2cccc(F)c2[O-])C3)[nH]1 ZINC001276537914 1324001384 /nfs/dbraw/zinc/00/13/84/1324001384.db2.gz PQTGOUIWUUDMDL-UHFFFAOYSA-N -1 3 329.375 2.092 20 10 EECDHM CC[C@H]([NH2+]CC[C@H]1CCCOC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590464391 1349340107 /nfs/dbraw/zinc/34/01/07/1349340107.db2.gz CGSAFSZWGDQMQV-DOMZBBRYSA-N -1 3 331.420 2.430 20 10 EECDHM C[C@H](C[C@@H](O)c1ccco1)[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603463362 1350709531 /nfs/dbraw/zinc/70/95/31/1350709531.db2.gz INILEBWIUGMIFZ-UHIISALHSA-N -1 3 343.387 2.328 20 10 EECDHM C[C@H]([NH2+]CC[C@@H](O)C1CCCC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603662455 1350736841 /nfs/dbraw/zinc/73/68/41/1350736841.db2.gz KVWOTRXSYKUFHW-XHDPSFHLSA-N -1 3 331.420 2.164 20 10 EECDHM CC[C@@H]([NH2+]C[C@]1(OC)CCSC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604053742 1350841254 /nfs/dbraw/zinc/84/12/54/1350841254.db2.gz DSPWLOOPCLZQRF-CZUORRHYSA-N -1 3 349.460 2.135 20 10 EECDHM COc1ccc(CNc2cc(C(C)=O)ccc2-c2nnn[n-]2)c(O)c1 ZINC001605285887 1351125432 /nfs/dbraw/zinc/12/54/32/1351125432.db2.gz LLHPFALYWBKQSP-UHFFFAOYSA-N -1 3 339.355 2.396 20 10 EECDHM COc1ccc(CNc2cc(C(C)=O)ccc2-c2nn[n-]n2)c(O)c1 ZINC001605285887 1351125433 /nfs/dbraw/zinc/12/54/33/1351125433.db2.gz LLHPFALYWBKQSP-UHFFFAOYSA-N -1 3 339.355 2.396 20 10 EECDHM Cc1ccc(C=CC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)cn1 ZINC001605834040 1351231678 /nfs/dbraw/zinc/23/16/78/1351231678.db2.gz FMTRAFWRWANHOP-VMPITWQZSA-N -1 3 338.346 2.385 20 10 EECDHM Cc1ccc(C=CC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)cn1 ZINC001605834040 1351231680 /nfs/dbraw/zinc/23/16/80/1351231680.db2.gz FMTRAFWRWANHOP-VMPITWQZSA-N -1 3 338.346 2.385 20 10 EECDHM Oc1ccc(CCNc2c(F)cc(-c3nnn[n-]3)cc2F)cc1O ZINC001607111002 1351422523 /nfs/dbraw/zinc/42/25/23/1351422523.db2.gz NZZBJQPYJXLVPK-UHFFFAOYSA-N -1 3 333.298 2.211 20 10 EECDHM Oc1ccc(CCNc2c(F)cc(-c3nn[n-]n3)cc2F)cc1O ZINC001607111002 1351422525 /nfs/dbraw/zinc/42/25/25/1351422525.db2.gz NZZBJQPYJXLVPK-UHFFFAOYSA-N -1 3 333.298 2.211 20 10 EECDHM CCN(Cc1ccccc1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000119169078 1369553237 /nfs/dbraw/zinc/55/32/37/1369553237.db2.gz PNTKMHZJMLQGSI-UHFFFAOYSA-N -1 3 348.424 2.426 20 10 EECDHM COc1cnc(OC2CCN(Cc3c([O-])cccc3F)CC2)nc1 ZINC001137841324 1372282844 /nfs/dbraw/zinc/28/28/44/1372282844.db2.gz AJNGOXUYUJCWKA-UHFFFAOYSA-N -1 3 333.363 2.373 20 10 EECDHM Cc1cc(Br)c([O-])c(CN2CCNC(=O)C[C@H]2C)c1 ZINC000809764266 783367991 /nfs/dbraw/zinc/36/79/91/783367991.db2.gz HQZBVMWKWPFODA-SNVBAGLBSA-N -1 3 327.222 2.174 20 10 EECDHM C[S@](=O)CCN1CCN(Cc2ccc3ccccc3c2[O-])CC1 ZINC000816515325 784088582 /nfs/dbraw/zinc/08/85/82/784088582.db2.gz WFKZROBOCPQLML-QHCPKHFHSA-N -1 3 332.469 2.042 20 10 EECDHM COc1ccc(N2CC[C@H](CNC(=O)c3cccc(O)c3[O-])C2)cc1 ZINC000819588694 785598234 /nfs/dbraw/zinc/59/82/34/785598234.db2.gz NTYVIMPCONYMIO-CYBMUJFWSA-N -1 3 342.395 2.363 20 10 EECDHM COc1ccc(N2CC[C@@H](CNC(=O)c3c([O-])cccc3O)C2)cc1 ZINC000822369857 787147815 /nfs/dbraw/zinc/14/78/15/787147815.db2.gz GZIVZKPPHBBNQE-ZDUSSCGKSA-N -1 3 342.395 2.363 20 10 EECDHM O=C(c1cc(O)c([O-])c(O)c1)N1CCC2(Cc3ccccc3O2)CC1 ZINC001148587101 792573031 /nfs/dbraw/zinc/57/30/31/792573031.db2.gz DGOBSBDKZWEAKA-UHFFFAOYSA-N -1 3 341.363 2.413 20 10 EECDHM CCCN(CC(=O)NC)Cc1cc(Br)cc(F)c1[O-] ZINC000715738207 795491811 /nfs/dbraw/zinc/49/18/11/795491811.db2.gz MTFRMYUVPOOSPC-UHFFFAOYSA-N -1 3 333.201 2.252 20 10 EECDHM COC(=O)CN(Cc1c([O-])ccc2ccncc21)CC(F)(F)F ZINC000917463941 798239502 /nfs/dbraw/zinc/23/95/02/798239502.db2.gz SSTIKIULCWJHLW-UHFFFAOYSA-N -1 3 328.290 2.478 20 10 EECDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1ccc(=O)[nH]n1 ZINC001181705370 800874614 /nfs/dbraw/zinc/87/46/14/800874614.db2.gz SIEHWERLAQDTGH-LLVKDONJSA-N -1 3 330.731 2.127 20 10 EECDHM CN1CCN(c2ccc(NC(=O)c3c(F)ccc(O)c3[O-])cc2)CC1 ZINC000789943959 808285963 /nfs/dbraw/zinc/28/59/63/808285963.db2.gz JVXVXNIKQZKOSS-UHFFFAOYSA-N -1 3 345.374 2.241 20 10 EECDHM C[C@@H](CC(=O)OCc1ccccc1)NC(=O)c1cccc(O)c1[O-] ZINC000790903295 808989548 /nfs/dbraw/zinc/98/95/48/808989548.db2.gz YWAADYDZPJXVRS-LBPRGKRZSA-N -1 3 329.352 2.350 20 10 EECDHM O=C(c1cccc(O)c1[O-])N1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000790941210 809013338 /nfs/dbraw/zinc/01/33/38/809013338.db2.gz SPCJBMGWHFULTR-UHFFFAOYSA-N -1 3 345.370 2.447 20 10 EECDHM COC(=O)c1ccc(NC(=O)c2ccc(C)c(O)c2[O-])cc1OC ZINC000794239713 810726337 /nfs/dbraw/zinc/72/63/37/810726337.db2.gz XHJXOUZWDZORKV-UHFFFAOYSA-N -1 3 331.324 2.454 20 10 EECDHM CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])[C@@H]1n1cccn1 ZINC001596833984 985472769 /nfs/dbraw/zinc/47/27/69/985472769.db2.gz TWJNVYYVNPRTMR-WPUCRFQZSA-N -1 3 345.399 2.356 20 10 EECDHM CCOc1ccc(O)c(CN[C@@H]2CCCn3nc(C(=O)[O-])cc32)c1 ZINC001597129520 986839619 /nfs/dbraw/zinc/83/96/19/986839619.db2.gz CVCWLLBRJBHFFT-CYBMUJFWSA-N -1 3 331.372 2.310 20 10 EECDHM C[C@H](NC1CN(C(=O)OC(C)(C)C)C1)c1cc(C(=O)[O-])ccc1O ZINC001593231455 994375593 /nfs/dbraw/zinc/37/55/93/994375593.db2.gz KKXUZRZSBFBIPS-JTQLQIEISA-N -1 3 336.388 2.360 20 10 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CCOC(=O)N[C@@H]1CCCN(Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000177257145 464971281 /nfs/dbraw/zinc/97/12/81/464971281.db2.gz KEAOESDQHCPOIF-CQSZACIVSA-N -1 3 338.379 2.444 20 10 EECDHM CCN(Cc1cc(Br)ccc1[O-])c1ccc2nnnn2n1 ZINC000301698492 466013251 /nfs/dbraw/zinc/01/32/51/466013251.db2.gz CESGFHVXZOVGBM-UHFFFAOYSA-N -1 3 349.192 2.014 20 10 EECDHM CCCC[C@H](C)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000291972284 528891062 /nfs/dbraw/zinc/89/10/62/528891062.db2.gz IGOPHROEBSMGEX-NSHDSACASA-N -1 3 328.434 2.414 20 10 EECDHM CC(=O)NCc1ccc(C(=O)COC(=O)c2cc([O-])cs2)s1 ZINC000731911505 577133274 /nfs/dbraw/zinc/13/32/74/577133274.db2.gz KHQRNTAYKLFOIN-UHFFFAOYSA-N -1 3 339.394 2.191 20 10 EECDHM CC(=O)NCc1ccc(C(=O)[C@H](C)OC(=O)c2cc([O-])cs2)o1 ZINC000732353476 577174736 /nfs/dbraw/zinc/17/47/36/577174736.db2.gz QOZHJBRBQSGVSZ-QMMMGPOBSA-N -1 3 337.353 2.111 20 10 EECDHM CN(C)c1nccc(CNCc2cc(Br)ccc2[O-])n1 ZINC000776496284 577460924 /nfs/dbraw/zinc/46/09/24/577460924.db2.gz ITLVMJUDGZDEML-UHFFFAOYSA-N -1 3 337.221 2.301 20 10 EECDHM COc1cc2c(cc1CNC(=O)c1cccc(O)c1[O-])O[C@@H](C)C2 ZINC000776679186 577465944 /nfs/dbraw/zinc/46/59/44/577465944.db2.gz ZLMPUOQYVUUAKS-JTQLQIEISA-N -1 3 329.352 2.360 20 10 EECDHM CC(C)(C)[C@H]1CCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769767222 577583883 /nfs/dbraw/zinc/58/38/83/577583883.db2.gz CWKISFASJAUOQS-CQSZACIVSA-N -1 3 340.445 2.414 20 10 EECDHM Cc1ncc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)[nH]1 ZINC000771063293 577608982 /nfs/dbraw/zinc/60/89/82/577608982.db2.gz DZCQPJOMHZRVFT-CQSZACIVSA-N -1 3 348.834 2.472 20 10 EECDHM COC(=O)C[C@H]1CN(Cc2c([O-])ccc3ccc(OC)cc32)CCO1 ZINC000751949163 577763066 /nfs/dbraw/zinc/76/30/66/577763066.db2.gz AMOARFLJIJXBEF-HNNXBMFYSA-N -1 3 345.395 2.318 20 10 EECDHM O=C1CN(Cc2ccc(OCc3ccccc3)cc2[O-])CCCN1 ZINC000753531933 577789427 /nfs/dbraw/zinc/78/94/27/577789427.db2.gz SHGPTYZWNJCICZ-UHFFFAOYSA-N -1 3 326.396 2.293 20 10 EECDHM CN(CCOc1ccccc1-c1nnn[n-]1)c1ccc2c(c1)OCO2 ZINC000825946034 607927297 /nfs/dbraw/zinc/92/72/97/607927297.db2.gz FUYUYUIMTBMYMW-UHFFFAOYSA-N -1 3 339.355 2.111 20 10 EECDHM CN(CCOc1ccccc1-c1nn[n-]n1)c1ccc2c(c1)OCO2 ZINC000825946034 607927298 /nfs/dbraw/zinc/92/72/98/607927298.db2.gz FUYUYUIMTBMYMW-UHFFFAOYSA-N -1 3 339.355 2.111 20 10 EECDHM CC(C)CN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(C)C ZINC000179502561 679835922 /nfs/dbraw/zinc/83/59/22/679835922.db2.gz RBVWRCUQWVZAMS-UHFFFAOYSA-N -1 3 328.434 2.270 20 10 EECDHM CC(C)CNC(=O)[C@H]1CC12CCN(C(=O)c1cccc(O)c1[O-])CC2 ZINC001269685329 1184510134 /nfs/dbraw/zinc/51/01/34/1184510134.db2.gz BBQJUWWNOMSVMS-CQSZACIVSA-N -1 3 346.427 2.112 20 10 EECDHM O=C(c1cccc(O)c1[O-])N1CC[C@@H]2[C@H]1CCC(=O)N2C1CCCC1 ZINC001269686010 1184511079 /nfs/dbraw/zinc/51/10/79/1184511079.db2.gz JFVFGZYHYGWMSB-HUUCEWRRSA-N -1 3 344.411 2.246 20 10 EECDHM CC[C@H](C)N1CC[C@@]2(CCCN2C(=O)c2cccc(O)c2[O-])C1=O ZINC001269685966 1184511178 /nfs/dbraw/zinc/51/11/78/1184511178.db2.gz HZNQUGZSAQTBLT-SGTLLEGYSA-N -1 3 332.400 2.103 20 10 EECDHM CC(C)CN1CCC2(CCN(C(=O)c3cccc(O)c3[O-])CC2)C1=O ZINC001269687083 1184521418 /nfs/dbraw/zinc/52/14/18/1184521418.db2.gz SLIPECQFXAQNKB-UHFFFAOYSA-N -1 3 346.427 2.209 20 10 EECDHM CC[C@H](C)N1C[C@]2(CC1=O)CCCCN2C(=O)c1cccc(O)c1[O-] ZINC001269687762 1184522520 /nfs/dbraw/zinc/52/25/20/1184522520.db2.gz ZMWDCWAESSFJRK-ORAYPTAESA-N -1 3 346.427 2.494 20 10 EECDHM O=C1N(Cc2cnoc2)CC[C@]12CCCN2Cc1c([O-])cccc1F ZINC001273265525 1197887708 /nfs/dbraw/zinc/88/77/08/1197887708.db2.gz HIMYDCVLLOXISS-GOSISDBHSA-N -1 3 345.374 2.286 20 10 EECDHM [O-]c1cc(Cl)ccc1CN1C[C@@H]2CN(Cc3ccc[nH]3)C[C@H](C1)O2 ZINC001275270692 1205295158 /nfs/dbraw/zinc/29/51/58/1205295158.db2.gz FZPJMTCBPOVYGH-CALCHBBNSA-N -1 3 347.846 2.459 20 10 EECDHM O=C1CCOc2cc(-c3noc(-c4ccc(O)c(O)c4[O-])n3)ccc21 ZINC001215325357 1296822287 /nfs/dbraw/zinc/82/22/87/1296822287.db2.gz OHADTQPLRINWAW-UHFFFAOYSA-N -1 3 340.291 2.486 20 10 EECDHM O=C1CCOc2cc(-c3noc(-c4ccc(O)c([O-])c4O)n3)ccc21 ZINC001215325357 1296822301 /nfs/dbraw/zinc/82/23/01/1296822301.db2.gz OHADTQPLRINWAW-UHFFFAOYSA-N -1 3 340.291 2.486 20 10 EECDHM O=C([C@H]1CCSC12CN(Cc1c([O-])cccc1F)C2)N1CC=CC1 ZINC001277491398 1303655493 /nfs/dbraw/zinc/65/54/93/1303655493.db2.gz IIIIXQMJKBYVCR-CQSZACIVSA-N -1 3 348.443 2.237 20 10 EECDHM CC(=O)N1CCCC[C@@]12CC[N@H+](Cc1ccc(C(=O)[O-])cc1[O-])C2 ZINC001231451446 1303801054 /nfs/dbraw/zinc/80/10/54/1303801054.db2.gz MNOUXEXOPPSPCA-SFHVURJKSA-N -1 3 332.400 2.067 20 10 EECDHM CC(=O)N1CCCC[C@@]12CC[N@@H+](Cc1ccc(C(=O)[O-])cc1[O-])C2 ZINC001231451446 1303801056 /nfs/dbraw/zinc/80/10/56/1303801056.db2.gz MNOUXEXOPPSPCA-SFHVURJKSA-N -1 3 332.400 2.067 20 10 EECDHM C[C@@H]1COCCN1Cc1ccc(I)cc1[O-] ZINC001232974406 1304311879 /nfs/dbraw/zinc/31/18/79/1304311879.db2.gz MYKIGVUIBIKLGK-SECBINFHSA-N -1 3 333.169 2.218 20 10 EECDHM COc1cnc(O[C@@H]2CCN(Cc3ccc(F)c(F)c3[O-])C2)nc1 ZINC001233079800 1304353496 /nfs/dbraw/zinc/35/34/96/1304353496.db2.gz KSJUMKSWPAHYNW-LLVKDONJSA-N -1 3 337.326 2.122 20 10 EECDHM COc1cc([O-])c(CN2C[C@@H](F)C[C@H]2CO)cc1Br ZINC001233135298 1304372451 /nfs/dbraw/zinc/37/24/51/1304372451.db2.gz PMUIYNACQGJRTR-UWVGGRQHSA-N -1 3 334.185 2.068 20 10 EECDHM COc1ccnc(O[C@@H]2CCN(Cc3c([O-])ccc(F)c3F)C2)n1 ZINC001233336354 1304435514 /nfs/dbraw/zinc/43/55/14/1304435514.db2.gz IZLZYWPPAOOVNP-SNVBAGLBSA-N -1 3 337.326 2.122 20 10 EECDHM CCOC(=O)C1CN(Cc2cc(Br)c(C)cc2[O-])C1 ZINC001237679307 1306042383 /nfs/dbraw/zinc/04/23/83/1306042383.db2.gz PCEIVDPKZUFJRZ-UHFFFAOYSA-N -1 3 328.206 2.458 20 10 EECDHM [O-]c1cc(F)cc(F)c1CN1CC[C@]2(CCN2c2ncccn2)C1 ZINC001140580391 1314909235 /nfs/dbraw/zinc/90/92/35/1314909235.db2.gz ALCJFKSANCADPF-KRWDZBQOSA-N -1 3 332.354 2.315 20 10 EECDHM [O-]c1ccc(Br)cc1CN1CC(N2CC[C@H](F)C2)C1 ZINC001203645850 1321931475 /nfs/dbraw/zinc/93/14/75/1321931475.db2.gz ULYNYRYQSCKTIK-LBPRGKRZSA-N -1 3 329.213 2.383 20 10 EECDHM O=C1C[C@@H]2COC[C@H](C1)N2Cc1cc(Br)ccc1[O-] ZINC001203645740 1321931662 /nfs/dbraw/zinc/93/16/62/1321931662.db2.gz OJPAZCZLZYBRRG-TXEJJXNPSA-N -1 3 326.190 2.087 20 10 EECDHM COCCN(Cc1cc(Cl)ccc1[O-])C[C@@H](O)C(F)(F)F ZINC000848921415 1338807109 /nfs/dbraw/zinc/80/71/09/1338807109.db2.gz ARLZNUAJQREGHF-GFCCVEGCSA-N -1 3 327.730 2.417 20 10 EECDHM C[C@H]([NH2+]C[C@H]1CC[C@H](C2CC2)O1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589961103 1349081855 /nfs/dbraw/zinc/08/18/55/1349081855.db2.gz AGTFJBVHRCDLSQ-JVLSTEMRSA-N -1 3 329.404 2.181 20 10 EECDHM CC[C@H]([NH2+]CC1(COC)CCC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590463166 1349338064 /nfs/dbraw/zinc/33/80/64/1349338064.db2.gz HUXJCABRYWURHI-AWEZNQCLSA-N -1 3 331.420 2.430 20 10 EECDHM CC[C@@H]([NH2+]CCc1ccns1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590470191 1349343978 /nfs/dbraw/zinc/34/39/78/1349343978.db2.gz PBUGNQRDIVMTBO-CYBMUJFWSA-N -1 3 330.417 2.312 20 10 EECDHM COc1ccc(N(C)CC(=O)Nc2sccc2-c2nnn[n-]2)cc1 ZINC001591606671 1349513709 /nfs/dbraw/zinc/51/37/09/1349513709.db2.gz UYSNMMONUDYJDP-UHFFFAOYSA-N -1 3 344.400 2.012 20 10 EECDHM COc1ccc(N(C)CC(=O)Nc2sccc2-c2nn[n-]n2)cc1 ZINC001591606671 1349513710 /nfs/dbraw/zinc/51/37/10/1349513710.db2.gz UYSNMMONUDYJDP-UHFFFAOYSA-N -1 3 344.400 2.012 20 10 EECDHM CC[C@H]([NH2+]Cc1c(C)nn(C)c1C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604062189 1350843508 /nfs/dbraw/zinc/84/35/08/1350843508.db2.gz PZTNJSUHDYWBJS-HNNXBMFYSA-N -1 3 341.419 2.164 20 10 EECDHM C[C@H]([NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001604329946 1350917296 /nfs/dbraw/zinc/91/72/96/1350917296.db2.gz MPEWNSLZWMCMQY-DRZSPHRISA-N -1 3 341.429 2.097 20 10 EECDHM Oc1ccccc1CN(Cc1ccco1)c1cc(-c2nnn[n-]2)cnn1 ZINC001607111660 1351423422 /nfs/dbraw/zinc/42/34/22/1351423422.db2.gz AFHXOCYABYDVCM-UHFFFAOYSA-N -1 3 349.354 2.162 20 10 EECDHM Oc1ccccc1CN(Cc1ccco1)c1cc(-c2nn[n-]n2)cnn1 ZINC001607111660 1351423425 /nfs/dbraw/zinc/42/34/25/1351423425.db2.gz AFHXOCYABYDVCM-UHFFFAOYSA-N -1 3 349.354 2.162 20 10 EECDHM Cc1nc(C)c(CCC(=O)NCc2cc(Cl)ccc2O)c(=O)[n-]1 ZINC000846660949 790384235 /nfs/dbraw/zinc/38/42/35/790384235.db2.gz KXXBUWYJULAQJU-UHFFFAOYSA-N -1 3 335.791 2.407 20 10 EECDHM CNC(=O)[C@H]1CCCCN1Cc1c([O-])cccc1Br ZINC000707129388 786137628 /nfs/dbraw/zinc/13/76/28/786137628.db2.gz GZARRQVTINCFBO-GFCCVEGCSA-N -1 3 327.222 2.255 20 10 EECDHM CCN(Cc1c([O-])cccc1Br)[C@@H]1CCS(=O)(=O)C1 ZINC000707172740 786169471 /nfs/dbraw/zinc/16/94/71/786169471.db2.gz XEKDCIYPBUJGJO-SNVBAGLBSA-N -1 3 348.262 2.164 20 10 EECDHM COC(=O)CN(Cc1cnc2n1CCC2)Cc1cc(Cl)ccc1[O-] ZINC000824769429 788295099 /nfs/dbraw/zinc/29/50/99/788295099.db2.gz UTMGLMKWEKCDFB-UHFFFAOYSA-N -1 3 349.818 2.364 20 10 EECDHM CCc1ccc(CN(C)Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)cc1 ZINC000846229065 790094797 /nfs/dbraw/zinc/09/47/97/790094797.db2.gz GOIJVUPMRUOSLP-UHFFFAOYSA-N -1 3 340.383 2.328 20 10 EECDHM O=C(Nc1ccc(-c2cc(CO)on2)cc1)c1cccc(O)c1[O-] ZINC001148218755 792252805 /nfs/dbraw/zinc/25/28/05/792252805.db2.gz KKAOMXLFTSNOSC-UHFFFAOYSA-N -1 3 326.308 2.497 20 10 EECDHM COC(=O)C[C@H](NC(=O)c1cccc(O)c1[O-])c1ccc(OC)cc1 ZINC000790487065 808746049 /nfs/dbraw/zinc/74/60/49/808746049.db2.gz INJQOFMWDKGIAE-AWEZNQCLSA-N -1 3 345.351 2.141 20 10 EECDHM O=C(NCCCc1ccc2c(c1)OCCO2)c1cccc(O)c1[O-] ZINC000790879877 808956095 /nfs/dbraw/zinc/95/60/95/808956095.db2.gz XNFRSIVDRUKBDY-UHFFFAOYSA-N -1 3 329.352 2.232 20 10 EECDHM CC[C@H]1CN(Cc2c([O-])ccc3ccncc32)C[C@@H](C)S1(=O)=O ZINC000808193553 812507401 /nfs/dbraw/zinc/50/74/01/812507401.db2.gz IPSNISMGKKIIEJ-OCCSQVGLSA-N -1 3 334.441 2.338 20 10 EECDHM C[C@H]1CN(C(=O)/C=C/c2cncc([O-])c2)c2ccccc2N(C)C1=O ZINC000374788571 238275764 /nfs/dbraw/zinc/27/57/64/238275764.db2.gz PNXDCTQKCOUFDR-GWJCSSMESA-N -1 3 337.379 2.446 20 10 EECDHM CC[C@H](NCc1ccc([N+](=O)[O-])c(OC)c1[O-])[C@@H](O)C(F)(F)F ZINC000278493259 463968234 /nfs/dbraw/zinc/96/82/34/463968234.db2.gz LVVRCSVMOXMYQT-QPUJVOFHSA-N -1 3 338.282 2.100 20 10 EECDHM COc1cc(Cl)cc(CN2CCCC[C@@H](S(C)(=O)=O)C2)c1[O-] ZINC000278610810 463973505 /nfs/dbraw/zinc/97/35/05/463973505.db2.gz GNXNSWMIUIPZMS-CYBMUJFWSA-N -1 3 347.864 2.453 20 10 EECDHM Cc1cc(Br)cc(CN2CCOC[C@@]23CCOC3)c1[O-] ZINC000195016052 463976502 /nfs/dbraw/zinc/97/65/02/463976502.db2.gz TWWGQBWOTOERON-HNNXBMFYSA-N -1 3 342.233 2.454 20 10 EECDHM COc1cc(Cl)cc(CN2CCC(C)(C)S(=O)(=O)CC2)c1[O-] ZINC000195200064 464016205 /nfs/dbraw/zinc/01/62/05/464016205.db2.gz WVUSAQGTEWCEFR-UHFFFAOYSA-N -1 3 347.864 2.453 20 10 EECDHM CC1CCN(C(=O)C2CCN(C(=O)c3cccc(O)c3[O-])CC2)CC1 ZINC000186979467 464085735 /nfs/dbraw/zinc/08/57/35/464085735.db2.gz FMTHQBYTBCFQCF-UHFFFAOYSA-N -1 3 346.427 2.209 20 10 EECDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2ccc(OC)nc2OC)c1 ZINC000290231325 464111916 /nfs/dbraw/zinc/11/19/16/464111916.db2.gz RSETVUDKYFGTQK-NSHDSACASA-N -1 3 346.383 2.442 20 10 EECDHM [O-]c1ccc(Br)cc1CN1CCO[C@]2(CCOC2)C1 ZINC000187532641 464139007 /nfs/dbraw/zinc/13/90/07/464139007.db2.gz RCKXNHQENGTMBY-CQSZACIVSA-N -1 3 328.206 2.146 20 10 EECDHM 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EECDHM COCC(COC)Oc1cccc2c1C(=O)c1cccc([O-])c1C2=O ZINC001229187142 1302662325 /nfs/dbraw/zinc/66/23/25/1302662325.db2.gz VEGLWHVYKDIALZ-UHFFFAOYSA-N -1 3 342.347 2.208 20 10 EECDHM O=C(c1n[nH]c2c1CN(Cc1cc(Cl)ccc1[O-])C2)N1CC=CC1 ZINC001277457100 1303226183 /nfs/dbraw/zinc/22/61/83/1303226183.db2.gz GVXDKNFYRRHFQW-UHFFFAOYSA-N -1 3 344.802 2.297 20 10 EECDHM COc1cc([O-])c(CN2CCN(c3ccccn3)C(=O)C2)cc1Cl ZINC001232271243 1304060725 /nfs/dbraw/zinc/06/07/25/1304060725.db2.gz SSRKRZHMPAIMRJ-UHFFFAOYSA-N -1 3 347.802 2.298 20 10 EECDHM O=C(NC1CCN(Cc2c([O-])ccc(F)c2F)CC1)c1cccnc1 ZINC001233336763 1304436798 /nfs/dbraw/zinc/43/67/98/1304436798.db2.gz ZCRNMLWLTBLUDN-UHFFFAOYSA-N -1 3 347.365 2.460 20 10 EECDHM O=C1NCC2(CCN(Cc3c([O-])ccc(Cl)c3Cl)CC2)N1 ZINC001237084827 1305792126 /nfs/dbraw/zinc/79/21/26/1305792126.db2.gz OBUBAPHOQSMZBJ-UHFFFAOYSA-N -1 3 330.215 2.346 20 10 EECDHM COc1cnc(N2CCN(Cc3ccc(Cl)cc3[O-])CC2)nc1 ZINC001140464074 1314892774 /nfs/dbraw/zinc/89/27/74/1314892774.db2.gz 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CC[C@@H]([NH2+]CCC[C@@H]1CCOC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590465687 1349341975 /nfs/dbraw/zinc/34/19/75/1349341975.db2.gz ICKSYQXIQXUFML-IUODEOHRSA-N -1 3 331.420 2.430 20 10 EECDHM Cc1cc(NC(=O)C=Cc2ccc(O)c(O)c2)cc(-c2nnn[n-]2)c1 ZINC001592018400 1349583906 /nfs/dbraw/zinc/58/39/06/1349583906.db2.gz UZQXRPIZQYKNTC-HWKANZROSA-N -1 3 337.339 2.238 20 10 EECDHM Cc1cc(NC(=O)C=Cc2ccc(O)c(O)c2)cc(-c2nn[n-]n2)c1 ZINC001592018400 1349583909 /nfs/dbraw/zinc/58/39/09/1349583909.db2.gz UZQXRPIZQYKNTC-HWKANZROSA-N -1 3 337.339 2.238 20 10 EECDHM CC[C@H]([NH2+]CCN1CCC[C@H]1C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604053055 1350840454 /nfs/dbraw/zinc/84/04/54/1350840454.db2.gz ATELGKYJGGVEHZ-DOMZBBRYSA-N -1 3 330.436 2.097 20 10 EECDHM C[C@@H]([NH2+]CC1(O)Cc2ccccc2C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001604338907 1350919133 /nfs/dbraw/zinc/91/91/33/1350919133.db2.gz VLBIQKBFOJRBEL-GFCCVEGCSA-N -1 3 327.380 2.271 20 10 EECDHM C[C@H]1CN(CC(C)(C)O)CCN1Cc1cc(Cl)c(F)cc1[O-] ZINC000816583364 784121601 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CC(=O)c1cc(Cl)cc(CN(C)[C@H](C)CN2CCOCC2)c1[O-] ZINC000279660119 464123123 /nfs/dbraw/zinc/12/31/23/464123123.db2.gz CTBDCGVTFOEETB-GFCCVEGCSA-N -1 3 340.851 2.401 20 10 EECDHM Cc1cc(Br)cc([C@@H](C)NCc2ncn(C)n2)c1[O-] ZINC000187416559 464126647 /nfs/dbraw/zinc/12/66/47/464126647.db2.gz YUKZZCRWMZQMPL-SECBINFHSA-N -1 3 325.210 2.442 20 10 EECDHM Cc1cccc(CN2CCN(C(=O)c3ccccc3[O-])CC2)c1O ZINC000179764466 464183424 /nfs/dbraw/zinc/18/34/24/464183424.db2.gz YFRISYFHTMLDCO-UHFFFAOYSA-N -1 3 326.396 2.364 20 10 EECDHM CCNC(=O)[C@@H](NCc1cc(Cl)cc(C(C)=O)c1[O-])C(C)C ZINC000293235333 464394781 /nfs/dbraw/zinc/39/47/81/464394781.db2.gz KWRONRFBLAQILT-AWEZNQCLSA-N -1 3 326.824 2.499 20 10 EECDHM C[C@H]1CN(C(=O)c2cccc(O)c2[O-])CCN1C(=O)OC(C)(C)C ZINC000275136809 464764173 /nfs/dbraw/zinc/76/41/73/464764173.db2.gz OMNAQUPUYBUHGF-NSHDSACASA-N -1 3 336.388 2.179 20 10 EECDHM CC[C@H](N[C@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(F)cc1[O-] ZINC000285992139 464766599 /nfs/dbraw/zinc/76/65/99/464766599.db2.gz 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COc1cc([O-])c(CN(C)C2CCS(=O)(=O)CC2)c(Cl)c1 ZINC001236801924 1305681174 /nfs/dbraw/zinc/68/11/74/1305681174.db2.gz FJYPNEWQOXXYMI-UHFFFAOYSA-N -1 3 333.837 2.063 20 10 EECDHM COc1cc([O-])c(CN2CC[C@H](F)[C@@H](O)C2)c(Br)c1 ZINC001237063412 1305783870 /nfs/dbraw/zinc/78/38/70/1305783870.db2.gz QCVREIQWASXXMI-AAEUAGOBSA-N -1 3 334.185 2.068 20 10 EECDHM CC(C)(O)CCN1CCN(Cc2cc(F)cc(Cl)c2[O-])CC1 ZINC001237804237 1306103088 /nfs/dbraw/zinc/10/30/88/1306103088.db2.gz ZIIGBDINFRIUNL-UHFFFAOYSA-N -1 3 330.831 2.463 20 10 EECDHM CN(CCCN(C)C(=O)c1cccc(O)c1[O-])C(=O)OC(C)(C)C ZINC000839873485 1315256876 /nfs/dbraw/zinc/25/68/76/1315256876.db2.gz VHPPTVGDHNSCKO-UHFFFAOYSA-N -1 3 338.404 2.427 20 10 EECDHM CCn1cncc1CN(CC(=O)OC)Cc1cc(Cl)ccc1[O-] ZINC000841841608 1315621189 /nfs/dbraw/zinc/62/11/89/1315621189.db2.gz ZKMHKQDNZVARQJ-UHFFFAOYSA-N -1 3 337.807 2.437 20 10 EECDHM CCCS(=O)(=O)Nc1ccc([O-])c(I)c1 ZINC001253692662 1317915263 /nfs/dbraw/zinc/91/52/63/1317915263.db2.gz MGJISUDGEKTUGE-UHFFFAOYSA-N -1 3 341.170 2.149 20 10 EECDHM CCn1nnc2c1[C@H](COC)CN(Cc1cc(Cl)ccc1[O-])C2 ZINC001203655739 1321933810 /nfs/dbraw/zinc/93/38/10/1321933810.db2.gz CACNGSKOKHVGOY-LBPRGKRZSA-N -1 3 336.823 2.403 20 10 EECDHM CN(C)c1ccc(CN(C)C(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC001609278943 1351919755 /nfs/dbraw/zinc/91/97/55/1351919755.db2.gz CGVJHNPCARLUFI-UHFFFAOYSA-N -1 3 336.399 2.205 20 10 EECDHM CN(C)c1ccc(CN(C)C(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC001609278943 1351919758 /nfs/dbraw/zinc/91/97/58/1351919758.db2.gz CGVJHNPCARLUFI-UHFFFAOYSA-N -1 3 336.399 2.205 20 10 EECDHM Cc1ccnc(N[C@H](C)Cc2ccc(O)c(O)c2)c1-c1nnn[n-]1 ZINC001609438779 1351976756 /nfs/dbraw/zinc/97/67/56/1351976756.db2.gz JHXCZWUXZQFYIR-SNVBAGLBSA-N -1 3 326.360 2.024 20 10 EECDHM Cc1ccnc(N[C@H](C)Cc2ccc(O)c(O)c2)c1-c1nn[n-]n1 ZINC001609438779 1351976758 /nfs/dbraw/zinc/97/67/58/1351976758.db2.gz JHXCZWUXZQFYIR-SNVBAGLBSA-N -1 3 326.360 2.024 20 10 EECDHM CC[C@H]([NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-])[C@@H]1CCCOC1 ZINC001590462989 1349339107 /nfs/dbraw/zinc/33/91/07/1349339107.db2.gz WKNZPILNIUYCJK-ZOWXZIJZSA-N -1 3 331.420 2.428 20 10 EECDHM Cc1cc(NC(=O)C=Cc2ccc(O)c(O)c2)cc(-c2nnn[n-]2)c1 ZINC001592018401 1349582903 /nfs/dbraw/zinc/58/29/03/1349582903.db2.gz UZQXRPIZQYKNTC-HYXAFXHYSA-N -1 3 337.339 2.238 20 10 EECDHM Cc1cc(NC(=O)C=Cc2ccc(O)c(O)c2)cc(-c2nn[n-]n2)c1 ZINC001592018401 1349582906 /nfs/dbraw/zinc/58/29/06/1349582906.db2.gz UZQXRPIZQYKNTC-HYXAFXHYSA-N -1 3 337.339 2.238 20 10 EECDHM Fc1cccc(NC(=S)NCc2ccc(-c3nnn[n-]3)cn2)c1F ZINC001592659276 1349702657 /nfs/dbraw/zinc/70/26/57/1349702657.db2.gz AVKSJYNLSDXRFU-UHFFFAOYSA-N -1 3 347.354 2.027 20 10 EECDHM Fc1cccc(NC(=S)NCc2ccc(-c3nn[n-]n3)cn2)c1F ZINC001592659276 1349702661 /nfs/dbraw/zinc/70/26/61/1349702661.db2.gz AVKSJYNLSDXRFU-UHFFFAOYSA-N -1 3 347.354 2.027 20 10 EECDHM C[C@H]([NH2+][C@@H]1CC(C)(C)CC[C@H]1O)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603676297 1350740200 /nfs/dbraw/zinc/74/02/00/1350740200.db2.gz CYTVEJIZALYXSW-ZLKJLUDKSA-N -1 3 331.420 2.163 20 10 EECDHM CCc1nnc(NCc2c(O)cccc2F)c(-c2nnn[n-]2)c1CC ZINC001604582188 1350964677 /nfs/dbraw/zinc/96/46/77/1350964677.db2.gz YTDPYEGIARMWTF-UHFFFAOYSA-N -1 3 343.366 2.238 20 10 EECDHM COC[C@@]1(CO)CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000832394504 1372435981 /nfs/dbraw/zinc/43/59/81/1372435981.db2.gz JFXWKMCXPVDQHQ-INIZCTEOSA-N -1 3 327.808 2.079 20 10 EECDHM O=S1(=O)CC[C@]2(C1)CCCN(Cc1cc(Cl)ccc1[O-])C2 ZINC000824976419 788384393 /nfs/dbraw/zinc/38/43/93/788384393.db2.gz AYYJETANEMFBRW-OAHLLOKOSA-N -1 3 329.849 2.446 20 10 EECDHM C[C@@H]1CCC[C@@H](CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000055488560 789155599 /nfs/dbraw/zinc/15/55/99/789155599.db2.gz HCOATJHGSOCXNO-VXGBXAGGSA-N -1 3 340.445 2.320 20 10 EECDHM CN(C)[C@@H](CNC(=O)c1c(F)ccc(O)c1[O-])c1ccc(F)cc1 ZINC000790068878 808364178 /nfs/dbraw/zinc/36/41/78/808364178.db2.gz HLDQZRHPPANXPS-ZDUSSCGKSA-N -1 3 336.338 2.409 20 10 EECDHM COc1cc(Br)cc(C[NH2+][C@H]2C[C@@H](C(=O)[O-])C2)c1[O-] ZINC000874047439 980168759 /nfs/dbraw/zinc/16/87/59/980168759.db2.gz ZOENFCWZPYMRSV-WKFQBHICSA-N -1 3 330.178 2.116 20 10 EECDHM C[C@H]([NH2+][C@H]1CCCC[C@@H]1N1CCOCC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593222219 994333010 /nfs/dbraw/zinc/33/30/10/994333010.db2.gz ILJHUCRAIHQVMR-JQFCIGGWSA-N -1 3 348.443 2.384 20 10 EECDHM C[C@H]([NH2+]C[C@@H](O)Cc1cccc(F)c1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593246178 994447128 /nfs/dbraw/zinc/44/71/28/994447128.db2.gz ICOLWCCCNVEVHM-NHYWBVRUSA-N -1 3 333.359 2.484 20 10 EECDHM C[C@@H]1C[C@@H](N2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)CCO1 ZINC000277485927 463918304 /nfs/dbraw/zinc/91/83/04/463918304.db2.gz UPPXJOKLHVANKS-MFKMUULPSA-N -1 3 338.791 2.377 20 10 EECDHM Cc1nc(CN2CCN(C(=O)c3ccc(C)c(O)c3[O-])CC2)cs1 ZINC000179412348 464132119 /nfs/dbraw/zinc/13/21/19/464132119.db2.gz ZRBCXKZYNAVJBU-UHFFFAOYSA-N -1 3 347.440 2.129 20 10 EECDHM COCCNC(=O)[C@H](CC(C)C)N[C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000187874288 464170016 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Cc1ccc(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c([O-])c1O ZINC000272755567 464688019 /nfs/dbraw/zinc/68/80/19/464688019.db2.gz PBOIJJGLUXRAHX-LLVKDONJSA-N -1 3 336.388 2.145 20 10 EECDHM COC[C@@]1(C(=O)OC)CCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000295091292 464702272 /nfs/dbraw/zinc/70/22/72/464702272.db2.gz RQYWVYIEKBFGQF-OAHLLOKOSA-N -1 3 331.771 2.196 20 10 EECDHM CCO[C@@H]1C[C@@H](NCc2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@@H]1OC ZINC000274852335 464756994 /nfs/dbraw/zinc/75/69/94/464756994.db2.gz BOQMVTYXAVRLOU-QKCSRTOESA-N -1 3 330.768 2.236 20 10 EECDHM CCCc1cc(=O)n2nc(N(C)Cc3ccccc3[O-])sc2n1 ZINC000276128223 464817880 /nfs/dbraw/zinc/81/78/80/464817880.db2.gz AVNWSVKSZMRVAJ-UHFFFAOYSA-N -1 3 330.413 2.446 20 10 EECDHM COc1cc(Br)cc(CN2CCn3cncc3C2)c1[O-] ZINC000368219231 466589129 /nfs/dbraw/zinc/58/91/29/466589129.db2.gz AQUGGLZHHUWAJU-UHFFFAOYSA-N -1 3 338.205 2.376 20 10 EECDHM COC(=O)[C@@H]1C[C@@H](OC)CCN1Cc1cc(Cl)cc(OC)c1[O-] ZINC000368621789 466689226 /nfs/dbraw/zinc/68/92/26/466689226.db2.gz KHGQALXUNRZFAL-STQMWFEESA-N -1 3 343.807 2.207 20 10 EECDHM COc1cc(Cl)cc(CN2CCOC[C@H]2[C@@H]2CCCO2)c1[O-] ZINC000377695782 467118890 /nfs/dbraw/zinc/11/88/90/467118890.db2.gz MTTKNUTXPKSKGS-KBPBESRZSA-N -1 3 327.808 2.434 20 10 EECDHM CC1(C)CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])[C@@H]1C1CC1 ZINC000291966527 529101666 /nfs/dbraw/zinc/10/16/66/529101666.db2.gz SIKAVGYAMSTBMI-CQSZACIVSA-N -1 3 338.429 2.024 20 10 EECDHM CCC(CC)[C@@H](CNC(=O)c1cc([O-])cs1)N1CCOCC1 ZINC000731867721 577130914 /nfs/dbraw/zinc/13/09/14/577130914.db2.gz RFPJWBIEBZIREG-CQSZACIVSA-N -1 3 326.462 2.321 20 10 EECDHM O=C(O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cc([O-])cs1 ZINC000732354961 577175006 /nfs/dbraw/zinc/17/50/06/577175006.db2.gz XQVUBIXGFZOVSK-LBPRGKRZSA-N -1 3 348.336 2.324 20 10 EECDHM CC(=O)c1cc(F)cc(CN(C)CC(=O)NCc2ccco2)c1[O-] ZINC000750816921 577743192 /nfs/dbraw/zinc/74/31/92/577743192.db2.gz CSNZARLRSROADO-UHFFFAOYSA-N -1 3 334.347 2.075 20 10 EECDHM C[C@H]1CCN(Cc2ccc(Br)cc2[O-])[C@H](C(N)=O)C1 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20 10 EECDHM O=C([C@@H]1CC12CN(Cc1c([O-])cccc1F)C2)N1CC(F)(C2CC2)C1 ZINC001277492971 1303666274 /nfs/dbraw/zinc/66/62/74/1303666274.db2.gz HDURJXHUCNWYSK-AWEZNQCLSA-N -1 3 348.393 2.314 20 10 EECDHM C[C@@H](C[NH+](C)C)Oc1cc([O-])cc2oc3cc([O-])c(O)cc3c(=O)c12 ZINC001234748293 1305018736 /nfs/dbraw/zinc/01/87/36/1305018736.db2.gz IICPKNGMWDZTFH-VIFPVBQESA-N -1 3 345.351 2.392 20 10 EECDHM Cc1cc(Br)c([O-])c(CN2CCC(NC(N)=O)CC2)c1 ZINC001236674083 1305632099 /nfs/dbraw/zinc/63/20/99/1305632099.db2.gz SQUBXUKLYXKKPM-UHFFFAOYSA-N -1 3 342.237 2.096 20 10 EECDHM COc1ccc(CN(C)C2CCS(=O)(=O)CC2)c([O-])c1Cl ZINC001236807892 1305683404 /nfs/dbraw/zinc/68/34/04/1305683404.db2.gz WAROKTDUMMPXLQ-UHFFFAOYSA-N -1 3 333.837 2.063 20 10 EECDHM CC(=O)N1CCC[C@]2(CN(Cc3c([O-])cccc3Cl)CCO2)C1 ZINC001140345624 1314874352 /nfs/dbraw/zinc/87/43/52/1314874352.db2.gz WZPOPOQMDHDBRM-KRWDZBQOSA-N -1 3 338.835 2.259 20 10 EECDHM O=S1(=O)CCN(Cc2cc(Cl)ccc2[O-])[C@H](C2CCC2)C1 ZINC000840955978 1315445072 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EECDHM Cc1cc(S(=O)(=O)[N-]Cc2ccc(N)cc2)c(F)cc1[N+](=O)[O-] ZINC001579641551 1344402434 /nfs/dbraw/zinc/40/24/34/1344402434.db2.gz XJQPHRFXIYMRIV-UHFFFAOYSA-N -1 3 339.348 2.103 20 10 EECDHM C[C@H](C[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-])N1CCCCC1 ZINC001589959153 1349080593 /nfs/dbraw/zinc/08/05/93/1349080593.db2.gz NQXLHSUVODZKAF-OLZOCXBDSA-N -1 3 330.436 2.097 20 10 EECDHM O=C([O-])[C@@H](NCc1ccc(N2CCOCC2)cc1)c1cccc(O)c1 ZINC001601674916 1350334909 /nfs/dbraw/zinc/33/49/09/1350334909.db2.gz NWUYMBJWZJOROS-SFHVURJKSA-N -1 3 342.395 2.144 20 10 EECDHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)C1=CC(=O)CS1 ZINC001603726938 1350751519 /nfs/dbraw/zinc/75/15/19/1350751519.db2.gz DUMROAOTYJTQFZ-VIFPVBQESA-N -1 3 329.385 2.467 20 10 EECDHM CN1CCN(Cc2c([O-])cccc2Br)C(C)(C)C1=O ZINC000862248614 1369526760 /nfs/dbraw/zinc/52/67/60/1369526760.db2.gz ODFRBXOUWBKEAS-UHFFFAOYSA-N -1 3 327.222 2.207 20 10 EECDHM [O-]c1cccc(Cl)c1CN1CCOC[C@@](O)(C(F)(F)F)C1 ZINC001140337887 1372564745 /nfs/dbraw/zinc/56/47/45/1372564745.db2.gz LMIYBQWABCDWDH-GFCCVEGCSA-N -1 3 325.714 2.171 20 10 EECDHM CCn1nnnc1-c1cccc(NC(=O)c2ccc(C)c(O)c2[O-])c1 ZINC000179510280 761358350 /nfs/dbraw/zinc/35/83/50/761358350.db2.gz PDFMAAJHLRUJST-UHFFFAOYSA-N -1 3 339.355 2.332 20 10 EECDHM CN(C)c1ccc(CN(C)C(=O)c2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000816822788 784290640 /nfs/dbraw/zinc/29/06/40/784290640.db2.gz WKZBSBLIFNPZCR-UHFFFAOYSA-N -1 3 326.400 2.398 20 10 EECDHM Cc1cnc2n1CCC21CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC001148214090 792247239 /nfs/dbraw/zinc/24/72/39/792247239.db2.gz OGCIVGPBVWVGKY-UHFFFAOYSA-N -1 3 327.384 2.180 20 10 EECDHM O=C(COC(=O)[C@H]1CCCN1C1CCCC1)c1ccc([O-])c(O)c1 ZINC000786880177 806939929 /nfs/dbraw/zinc/93/99/29/806939929.db2.gz KRGLKDCXVXYMKU-CQSZACIVSA-N -1 3 333.384 2.231 20 10 EECDHM Cc1cc2[nH]ncc2cc1[N-]S(=O)(=O)c1cccc2nonc21 ZINC000790645339 808861914 /nfs/dbraw/zinc/86/19/14/808861914.db2.gz DJHJUJYTKWKHTA-UHFFFAOYSA-N -1 3 329.341 2.208 20 10 EECDHM C[C@H]([NH2+]C[C@@H](O)COc1ccc(F)cc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593246253 994449153 /nfs/dbraw/zinc/44/91/53/994449153.db2.gz JDKRRVQMLSFOME-SMDDNHRTSA-N -1 3 349.358 2.320 20 10 EECDHM CO[N-]C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000063727321 462666289 /nfs/dbraw/zinc/66/62/89/462666289.db2.gz MNXFJMRFCBHJSQ-NTMALXAHSA-N -1 3 342.467 2.407 20 10 EECDHM CCN(CC)C(=O)CN(C)Cc1cc(Br)ccc1[O-] ZINC000155095452 462846194 /nfs/dbraw/zinc/84/61/94/462846194.db2.gz JXNORPGHDRJBKY-UHFFFAOYSA-N -1 3 329.238 2.455 20 10 EECDHM COCCN(Cc1cc(-c2ccccc2)ccc1[O-])[C@@H](C)C(N)=O ZINC000093137927 463010500 /nfs/dbraw/zinc/01/05/00/463010500.db2.gz GSIUBCVKRYEKBQ-AWEZNQCLSA-N -1 3 328.412 2.381 20 10 EECDHM CCC[C@H]1CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000137758702 463300468 /nfs/dbraw/zinc/30/04/68/463300468.db2.gz VUOGLGWVIJMCNH-LBPRGKRZSA-N -1 3 340.445 2.416 20 10 EECDHM CN(Cc1cc(Br)ccc1[O-])[C@@H]1CCCCNC1=O ZINC000123816833 463371269 /nfs/dbraw/zinc/37/12/69/463371269.db2.gz KMFDZWYBUDJMGU-GFCCVEGCSA-N -1 3 327.222 2.255 20 10 EECDHM Cc1ccc(C(=O)N[C@H]2CCN(c3ccccc3F)C2=O)c([O-])c1O ZINC000177685604 463764923 /nfs/dbraw/zinc/76/49/23/463764923.db2.gz GAWCACMCZLYXGL-ZDUSSCGKSA-N -1 3 344.342 2.081 20 10 EECDHM CN1CCC[C@@H]1CNC(=O)NCc1cccc(Br)c1[O-] ZINC000277602356 463921148 /nfs/dbraw/zinc/92/11/48/463921148.db2.gz VIZNZEBVROOLJC-LLVKDONJSA-N -1 3 342.237 2.048 20 10 EECDHM CC[C@@H]1CN(Cc2cc(F)cc(C(C)=O)c2[O-])C[C@H](C)S1(=O)=O ZINC000287606254 463942719 /nfs/dbraw/zinc/94/27/19/463942719.db2.gz YZRBKCHKXNQVCG-IINYFYTJSA-N -1 3 343.420 2.131 20 10 EECDHM CC(C)(C)OC(=O)N1C[C@H]2CN(C(=O)c3cccc(O)c3[O-])C[C@H]2C1 ZINC000280647295 464227193 /nfs/dbraw/zinc/22/71/93/464227193.db2.gz YUSQSWCCUOVYJK-TXEJJXNPSA-N -1 3 348.399 2.037 20 10 EECDHM CC(C)(C)OC(=O)N1CC2(C1)CN(Cc1ccccc1[O-])CCO2 ZINC000293512147 464409387 /nfs/dbraw/zinc/40/93/87/464409387.db2.gz AEEPWNHMRKNPOG-UHFFFAOYSA-N -1 3 334.416 2.214 20 10 EECDHM CC(C)C(C)(C)CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000189286673 464469934 /nfs/dbraw/zinc/46/99/34/464469934.db2.gz ACXNHTSDTYIPRO-UHFFFAOYSA-N -1 3 328.434 2.176 20 10 EECDHM [O-]c1ccccc1CN(Cc1ncnn1CCF)C[C@H]1CCCO1 ZINC000281763518 464577491 /nfs/dbraw/zinc/57/74/91/464577491.db2.gz YZGOUQPSUZVBPT-OAHLLOKOSA-N -1 3 334.395 2.134 20 10 EECDHM Cc1csc([C@@H]2COCCN2Cc2cc3c(cc2[O-])OCO3)n1 ZINC000190408665 464637990 /nfs/dbraw/zinc/63/79/90/464637990.db2.gz AEWYZEBRMOPKBL-LBPRGKRZSA-N -1 3 334.397 2.459 20 10 EECDHM CC[S@](=O)[C@H]1CCC[C@H](NC(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000182566544 464684823 /nfs/dbraw/zinc/68/48/23/464684823.db2.gz POWIIGLWXBSUME-IBILFNBTSA-N -1 3 325.430 2.216 20 10 EECDHM O=C(C[C@H]1COCCN1C(=O)c1cccc(O)c1[O-])c1ccccc1 ZINC000275101560 464763511 /nfs/dbraw/zinc/76/35/11/464763511.db2.gz IVZMVROMSNWWJI-AWEZNQCLSA-N -1 3 341.363 2.212 20 10 EECDHM CC(=O)c1cc(Cl)cc(CN2CCC3(CNC(=O)C3)CC2)c1[O-] ZINC000267627032 464938003 /nfs/dbraw/zinc/93/80/03/464938003.db2.gz FUSHEDRBRLPFNN-UHFFFAOYSA-N -1 3 336.819 2.350 20 10 EECDHM Cc1ccc(C2=NO[C@@H](CNC(=O)c3cccc(O)c3[O-])C2)cc1 ZINC000374477834 467056895 /nfs/dbraw/zinc/05/68/95/467056895.db2.gz HIKAWVPSNCJJEC-CYBMUJFWSA-N -1 3 326.352 2.329 20 10 EECDHM C[C@@H]1CC[C@@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])[C@H](C)C1 ZINC000094136998 534187341 /nfs/dbraw/zinc/18/73/41/534187341.db2.gz MLIREASGBSTCCQ-JTNHKYCSSA-N -1 3 340.445 2.318 20 10 EECDHM CC(C)[C@H]1C(=O)NCCN1Cc1cc(Br)ccc1[O-] ZINC000093054402 527757027 /nfs/dbraw/zinc/75/70/27/527757027.db2.gz CWILYXPOLQMDGO-ZDUSSCGKSA-N -1 3 327.222 2.111 20 10 EECDHM O=C(Cc1ccc(NC(=O)c2cc([O-])cs2)cc1)N1CCOCC1 ZINC000732271034 577162868 /nfs/dbraw/zinc/16/28/68/577162868.db2.gz NPFKJGVOGUTBAQ-UHFFFAOYSA-N -1 3 346.408 2.107 20 10 EECDHM O=C(NCCCCN1C(=O)c2ccccc2C1=O)c1cc([O-])cs1 ZINC000732295754 577167953 /nfs/dbraw/zinc/16/79/53/577167953.db2.gz GXERKWPHOKRFFR-UHFFFAOYSA-N -1 3 344.392 2.260 20 10 EECDHM Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1cc([O-])cs1 ZINC000732353020 577174588 /nfs/dbraw/zinc/17/45/88/577174588.db2.gz KIPSHMMVAMEADF-UHFFFAOYSA-N -1 3 336.325 2.466 20 10 EECDHM O=C(COC(=O)c1cc([O-])cs1)Nc1cc([N+](=O)[O-])ccc1F ZINC000732354220 577174704 /nfs/dbraw/zinc/17/47/04/577174704.db2.gz PIFXGJYXLMWJGN-UHFFFAOYSA-N -1 3 340.288 2.297 20 10 EECDHM [O-]c1c(F)cc(Cl)cc1CN1CCN(C[C@H]2CCCO2)CC1 ZINC000775647201 577441732 /nfs/dbraw/zinc/44/17/32/577441732.db2.gz RLAXHHMLLYJDAC-CQSZACIVSA-N -1 3 328.815 2.481 20 10 EECDHM COCCNC(=O)C1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000768235999 577552528 /nfs/dbraw/zinc/55/25/28/577552528.db2.gz GBTPXFFELYQDQK-UHFFFAOYSA-N -1 3 326.824 2.020 20 10 EECDHM C[C@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C(C)(C)C1 ZINC000769938084 577587441 /nfs/dbraw/zinc/58/74/41/577587441.db2.gz YRJLYWHWRLBJEF-SNVBAGLBSA-N -1 3 326.418 2.024 20 10 EECDHM COc1cc(Cl)cc(CN(C)CC(=O)NCc2ccco2)c1[O-] ZINC000761183428 577678598 /nfs/dbraw/zinc/67/85/98/577678598.db2.gz JHFWZSNWUJPUAX-UHFFFAOYSA-N -1 3 338.791 2.395 20 10 EECDHM Cc1ccc(C(=O)N2CCCC[C@@H]2COC(=O)NC2CC2)c([O-])c1O ZINC000753012465 577780020 /nfs/dbraw/zinc/78/00/20/577780020.db2.gz WFOHKBWGANGZHG-CYBMUJFWSA-N -1 3 348.399 2.290 20 10 EECDHM CCOc1ccc(CN[C@@H]2CS(=O)(=O)c3ccccc32)c([O-])c1 ZINC000754891898 577815865 /nfs/dbraw/zinc/81/58/65/577815865.db2.gz LHQUGWHDFJKTAM-OAHLLOKOSA-N -1 3 333.409 2.409 20 10 EECDHM C[C@H](NCc1ccc(-n2cncn2)nc1)c1cc(F)cc(F)c1[O-] ZINC000756433276 577844061 /nfs/dbraw/zinc/84/40/61/577844061.db2.gz WYLDISYAYKNTCM-JTQLQIEISA-N -1 3 331.326 2.497 20 10 EECDHM C[C@@H](NCc1nnnn1C1CC1)c1ccc(Br)cc1[O-] ZINC000756732701 577849469 /nfs/dbraw/zinc/84/94/69/577849469.db2.gz NIHJBMTUBGLAAT-MRVPVSSYSA-N -1 3 338.209 2.327 20 10 EECDHM Cc1nc(NCc2cc(F)c(N3CCOCC3)c(F)c2)cc(=O)[n-]1 ZINC000894151596 681790195 /nfs/dbraw/zinc/79/01/95/681790195.db2.gz RPPPMMFUJPJJIF-UHFFFAOYSA-N -1 3 336.342 2.218 20 10 EECDHM O=C(c1cccc(O)c1[O-])N1CCCC2(CN(Cc3ccc[nH]3)C2)C1 ZINC001269608205 1184430803 /nfs/dbraw/zinc/43/08/03/1184430803.db2.gz ZIVXEOCAYLFLBT-UHFFFAOYSA-N -1 3 341.411 2.164 20 10 EECDHM CN1CC[C@@]2(CCCN2Cc2cc(Br)ccc2[O-])C1=O ZINC001272628299 1190939344 /nfs/dbraw/zinc/93/93/44/1190939344.db2.gz GAKFAWAGNZZXAD-HNNXBMFYSA-N -1 3 339.233 2.351 20 10 EECDHM C[C@@H]1CN(Cc2ccc(Br)cc2[O-])CC[S@](=O)C1 ZINC000825698644 1198698851 /nfs/dbraw/zinc/69/88/51/1198698851.db2.gz QGVFWYKTDDSDHM-MGNBDDOMSA-N -1 3 332.263 2.355 20 10 EECDHM COc1cccc(O)c1CN1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000877775768 1200090087 /nfs/dbraw/zinc/09/00/87/1200090087.db2.gz PHQOCWYOSDIIAC-CQSZACIVSA-N -1 3 332.322 2.044 20 10 EECDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@@H]1CCO[C@@H]1C ZINC000878243295 1200347885 /nfs/dbraw/zinc/34/78/85/1200347885.db2.gz ZAWJUJUAFAXRPE-NEPJUHHUSA-N -1 3 327.808 2.446 20 10 EECDHM [O-]c1cc(F)cc(F)c1CN1C[C@H]2CC[C@@H](C1)N2CCn1ccnc1 ZINC001275306156 1205304599 /nfs/dbraw/zinc/30/45/99/1205304599.db2.gz BMCQASMJRFLLGS-GASCZTMLSA-N -1 3 348.397 2.216 20 10 EECDHM O=C(CCc1ccc[nH]1)N1C[C@H]2C[C@@H](C1)N2Cc1cc(F)ccc1[O-] ZINC001275905726 1205580122 /nfs/dbraw/zinc/58/01/22/1205580122.db2.gz KZPWZFHXDZCMGQ-CALCHBBNSA-N -1 3 343.402 2.277 20 10 EECDHM CCC[C@H]1C(=O)NCCN1Cc1cc(Br)ccc1[O-] ZINC000093771280 1214947448 /nfs/dbraw/zinc/94/74/48/1214947448.db2.gz RSFBZJPQGIHUSW-LBPRGKRZSA-N -1 3 327.222 2.255 20 10 EECDHM CC(C)CN1CC[C@@]2(CC[N@H+](Cc3cc(C(=O)[O-])ccc3[O-])C2)C1=O ZINC001273740142 1284521139 /nfs/dbraw/zinc/52/11/39/1284521139.db2.gz HHDAVZLBLOLPES-LJQANCHMSA-N -1 3 346.427 2.171 20 10 EECDHM CC(C)CN1CC[C@@]2(CC[N@@H+](Cc3cc(C(=O)[O-])ccc3[O-])C2)C1=O ZINC001273740142 1284521149 /nfs/dbraw/zinc/52/11/49/1284521149.db2.gz HHDAVZLBLOLPES-LJQANCHMSA-N -1 3 346.427 2.171 20 10 EECDHM CCCCN1CC[C@@]2(CC[N@H+](Cc3cc(C(=O)[O-])ccc3[O-])C2)C1=O ZINC001273740980 1284533209 /nfs/dbraw/zinc/53/32/09/1284533209.db2.gz YARXSBGPLRBRIE-LJQANCHMSA-N -1 3 346.427 2.315 20 10 EECDHM CCCCN1CC[C@@]2(CC[N@@H+](Cc3cc(C(=O)[O-])ccc3[O-])C2)C1=O ZINC001273740980 1284533216 /nfs/dbraw/zinc/53/32/16/1284533216.db2.gz YARXSBGPLRBRIE-LJQANCHMSA-N -1 3 346.427 2.315 20 10 EECDHM [O-]c1cc(I)ccc1CN(C1CC1)C1COC1 ZINC001232979697 1304314605 /nfs/dbraw/zinc/31/46/05/1304314605.db2.gz IIMYMVXFKSBHCA-UHFFFAOYSA-N -1 3 345.180 2.360 20 10 EECDHM CC(C)CC1(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000856192054 1293438569 /nfs/dbraw/zinc/43/85/69/1293438569.db2.gz RBWHJMNQPZXLDQ-UHFFFAOYSA-N -1 3 326.418 2.072 20 10 EECDHM [O-]c1cccc(Br)c1CN1CCO[C@@]2(CCOC2)C1 ZINC000862333397 1295796407 /nfs/dbraw/zinc/79/64/07/1295796407.db2.gz OCYGACFIUZXFIL-AWEZNQCLSA-N -1 3 328.206 2.146 20 10 EECDHM COc1cc(O[C@@H]2CC[N@H+](Cc3ccc(C(=O)[O-])cc3[O-])C2)ccn1 ZINC001231453334 1303802258 /nfs/dbraw/zinc/80/22/58/1303802258.db2.gz LLHHEPWSAFLIDE-OAHLLOKOSA-N -1 3 344.367 2.147 20 10 EECDHM COc1cc(O[C@@H]2CC[N@@H+](Cc3ccc(C(=O)[O-])cc3[O-])C2)ccn1 ZINC001231453334 1303802265 /nfs/dbraw/zinc/80/22/65/1303802265.db2.gz LLHHEPWSAFLIDE-OAHLLOKOSA-N -1 3 344.367 2.147 20 10 EECDHM C[C@@H]1C[C@@H](O)CCN1Cc1ccc(I)cc1[O-] ZINC001232977458 1304313568 /nfs/dbraw/zinc/31/35/68/1304313568.db2.gz BWGJBUIQRIWKDC-SKDRFNHKSA-N -1 3 347.196 2.342 20 10 EECDHM CN1CC2(C1)CCN(Cc1c([O-])cc(Br)cc1F)C2 ZINC001233029706 1304334391 /nfs/dbraw/zinc/33/43/91/1304334391.db2.gz HHCOEOZDABKMLY-UHFFFAOYSA-N -1 3 329.213 2.431 20 10 EECDHM COc1cc([O-])c(CN2C[C@H](F)C[C@@H](CO)C2)cc1Br ZINC001233134815 1304372267 /nfs/dbraw/zinc/37/22/67/1304372267.db2.gz FETFWVZLXMHGER-MWLCHTKSSA-N -1 3 348.212 2.316 20 10 EECDHM COc1cc([O-])c(CN2CCN(c3ncccn3)CC2)c(Cl)c1 ZINC001236802383 1305681726 /nfs/dbraw/zinc/68/17/26/1305681726.db2.gz JDWUOMIACDRWQH-UHFFFAOYSA-N -1 3 334.807 2.166 20 10 EECDHM COc1cc([O-])c(CN2CCn3cncc3C2)c(Br)c1 ZINC001237073921 1305788700 /nfs/dbraw/zinc/78/87/00/1305788700.db2.gz XKCCJPXWAZWGKW-UHFFFAOYSA-N -1 3 338.205 2.376 20 10 EECDHM COC(=O)CO[C@H]1CCN(Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001237087008 1305792343 /nfs/dbraw/zinc/79/23/43/1305792343.db2.gz RPKRACWIBAQISV-VIFPVBQESA-N -1 3 334.199 2.463 20 10 EECDHM CN(C)C(=O)NC1CCN(Cc2c([O-])ccc(F)c2Cl)CC1 ZINC001237125253 1305805772 /nfs/dbraw/zinc/80/57/72/1305805772.db2.gz BMNMKCFXTRUWHT-UHFFFAOYSA-N -1 3 329.803 2.420 20 10 EECDHM CO[C@@H]1CCN(Cc2cccc(I)c2[O-])C1 ZINC001237778489 1306084738 /nfs/dbraw/zinc/08/47/38/1306084738.db2.gz WPXHWRJTCSPCJP-SNVBAGLBSA-N -1 3 333.169 2.218 20 10 EECDHM CC1=NC2(CCN(Cc3cc(F)c(Cl)cc3[O-])CC2)C(=O)N1C ZINC001237940430 1306155422 /nfs/dbraw/zinc/15/54/22/1306155422.db2.gz KOVDNQOUWDBBGI-UHFFFAOYSA-N -1 3 339.798 2.410 20 10 EECDHM Cc1cc(=O)oc2c1ccc([O-])c2CN1CCN(CC2CC2)CC1 ZINC001139127069 1314708359 /nfs/dbraw/zinc/70/83/59/1314708359.db2.gz DKBBGLYDWKYFRD-UHFFFAOYSA-N -1 3 328.412 2.335 20 10 EECDHM CCC1(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCCC1 ZINC000834304329 1314818104 /nfs/dbraw/zinc/81/81/04/1314818104.db2.gz QMRKMGBSRRMBKY-UHFFFAOYSA-N -1 3 326.418 2.216 20 10 EECDHM CCOC[C@@H]1CN(Cc2ccc(Cl)cc2[O-])Cc2nnn(C)c21 ZINC001140465606 1314893195 /nfs/dbraw/zinc/89/31/95/1314893195.db2.gz QVYQAYXWENVFGW-LBPRGKRZSA-N -1 3 336.823 2.310 20 10 EECDHM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(F)cc2)ccc1O ZINC001251657468 1317483055 /nfs/dbraw/zinc/48/30/55/1317483055.db2.gz HGSVELPKRAZKLS-UHFFFAOYSA-N -1 3 325.317 2.119 20 10 EECDHM O=S(=O)(Nc1ccc([O-])c(Br)c1)C1CCOCC1 ZINC001259913756 1319735473 /nfs/dbraw/zinc/73/54/73/1319735473.db2.gz BNPPBGVDCVJDIT-UHFFFAOYSA-N -1 3 336.207 2.075 20 10 EECDHM C[C@@H]([NH2+]CC[S@](=O)CC(F)(F)F)c1cc(C(=O)[O-])ccc1[O-] ZINC001604341144 1350919726 /nfs/dbraw/zinc/91/97/26/1350919726.db2.gz NODLBFYMFWDJFC-PJLCYMMNSA-N -1 3 339.335 2.052 20 10 EECDHM C[C@@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])C(=O)NCC(F)(F)F ZINC001325356001 1333871345 /nfs/dbraw/zinc/87/13/45/1333871345.db2.gz HBBUHCMHOBPSQY-JGVFFNPUSA-N -1 3 335.282 2.018 20 10 EECDHM CC[C@@H]([NH2+]CCc1nccs1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590465419 1349341642 /nfs/dbraw/zinc/34/16/42/1349341642.db2.gz FFJDKPFGBBATMZ-GFCCVEGCSA-N -1 3 330.417 2.312 20 10 EECDHM CC[C@@H]([NH2+]C[C@@]1(OC)CCSC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604053740 1350840992 /nfs/dbraw/zinc/84/09/92/1350840992.db2.gz DSPWLOOPCLZQRF-CJNGLKHVSA-N -1 3 349.460 2.135 20 10 EECDHM CC[C@@H]([NH2+]CCC1(COC)CC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604054659 1350841072 /nfs/dbraw/zinc/84/10/72/1350841072.db2.gz ITJXLMNYVFJUSD-CQSZACIVSA-N -1 3 331.420 2.430 20 10 EECDHM Cc1cccc([C@@H](O)C[NH2+][C@H](C)c2cccc(-c3nn[n-]n3)c2[O-])c1 ZINC001605907953 1351251794 /nfs/dbraw/zinc/25/17/94/1351251794.db2.gz RYNRIUVHOUCOLD-WBMJQRKESA-N -1 3 339.399 2.265 20 10 EECDHM O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1[O-] ZINC000055522754 789161655 /nfs/dbraw/zinc/16/16/55/789161655.db2.gz OCRYUKNXQCJPIT-UHFFFAOYSA-N -1 3 330.359 2.298 20 10 EECDHM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000055639142 789221874 /nfs/dbraw/zinc/22/18/74/789221874.db2.gz MALVZIZYLGPOFG-UHFFFAOYSA-N -1 3 340.426 2.249 20 10 EECDHM O=C([O-])c1cnn2c1[nH]c(CN(Cc1ccccc1)C1CC1)cc2=O ZINC000846234702 790097929 /nfs/dbraw/zinc/09/79/29/790097929.db2.gz WERXJTKURKFDNB-UHFFFAOYSA-N -1 3 338.367 2.298 20 10 EECDHM COC(=O)c1nn(C)c2ccc(NC(=O)c3cccc(O)c3[O-])cc12 ZINC001148218482 792252630 /nfs/dbraw/zinc/25/26/30/792252630.db2.gz BTVJDNULNZRBFC-UHFFFAOYSA-N -1 3 341.323 2.023 20 10 EECDHM COC[C@@H]1CN(Cc2cc(Br)c(OC)cc2[O-])CCO1 ZINC001233142366 792782250 /nfs/dbraw/zinc/78/22/50/792782250.db2.gz RIYPFXZSMYEDCQ-NSHDSACASA-N -1 3 346.221 2.011 20 10 EECDHM C[C@@H]([NH2+]C[C@H](CO)CC1CCOCC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593248640 994472698 /nfs/dbraw/zinc/47/26/98/994472698.db2.gz VENUKRKPLGYSPK-TZMCWYRMSA-N -1 3 337.416 2.166 20 10 EECDHM COc1cc(Cl)cc(C[NH2+][C@@H](C[C@H]2CCCOC2)C(=O)[O-])c1[O-] ZINC001599421045 997595290 /nfs/dbraw/zinc/59/52/90/997595290.db2.gz YNCVKPNNRPROPE-MFKMUULPSA-N -1 3 343.807 2.414 20 10 EECDHM CCCOc1ccc(CN(CC)[C@@H]2CCS(=O)(=O)C2)c([O-])c1 ZINC000160574377 463351922 /nfs/dbraw/zinc/35/19/22/463351922.db2.gz MYTTYCJRMIHUOI-CQSZACIVSA-N -1 3 327.446 2.190 20 10 EECDHM CCS(=O)(=O)N(C)C1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000124241465 463400862 /nfs/dbraw/zinc/40/08/62/463400862.db2.gz GYYWNICWCANJIF-UHFFFAOYSA-N -1 3 346.880 2.292 20 10 EECDHM COc1cccc([C@H](CNC(=O)c2ccc(C)c(O)c2[O-])N(C)C)c1 ZINC000177659971 463759745 /nfs/dbraw/zinc/75/97/45/463759745.db2.gz BQSBCJQVZNTYDB-INIZCTEOSA-N -1 3 344.411 2.448 20 10 EECDHM Cc1ccc(C(=O)N2CCC(N3CCCCC3=O)CC2)c([O-])c1O ZINC000272554998 464657944 /nfs/dbraw/zinc/65/79/44/464657944.db2.gz BKBBRYFATNOXNC-UHFFFAOYSA-N -1 3 332.400 2.023 20 10 EECDHM COCCOc1ccc(CNC(=O)c2ccc(C)c(O)c2[O-])cc1 ZINC000272826155 464690216 /nfs/dbraw/zinc/69/02/16/464690216.db2.gz PGDLFDUUQBERDQ-UHFFFAOYSA-N -1 3 331.368 2.361 20 10 EECDHM [O-]c1cc(OCc2ccccc2)ccc1CN1CCO[C@@H](CO)C1 ZINC000273356899 464711465 /nfs/dbraw/zinc/71/14/65/464711465.db2.gz CUICSPRJFDILON-GOSISDBHSA-N -1 3 329.396 2.164 20 10 EECDHM C[C@@H](O)[C@](C)(CNC(=O)c1cccc(O)c1[O-])Cc1ccccc1 ZINC000192039265 533864451 /nfs/dbraw/zinc/86/44/51/533864451.db2.gz JTJHNUBVMSCWLA-YJYMSZOUSA-N -1 3 329.396 2.457 20 10 EECDHM O=C(OCCCN1C(=O)c2ccccc2C1=O)c1cc([O-])cs1 ZINC000731912944 577133634 /nfs/dbraw/zinc/13/36/34/577133634.db2.gz ZVCBEYCWIQHUFE-UHFFFAOYSA-N -1 3 331.349 2.297 20 10 EECDHM COc1c([O-])c([C@H]2NC(=O)c3ccccc3N2C)ccc1[N+](=O)[O-] ZINC000772179544 577256213 /nfs/dbraw/zinc/25/62/13/577256213.db2.gz UWSCTXSWONBNKR-HNNXBMFYSA-N -1 3 329.312 2.187 20 10 EECDHM CC(C)OCCOC[C@@H](O)CN(C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775661199 577442075 /nfs/dbraw/zinc/44/20/75/577442075.db2.gz KMVJNJOPUFIJPO-AWEZNQCLSA-N -1 3 349.830 2.419 20 10 EECDHM [O-]c1cc2c(cc1CN1CCN(Cc3ccccc3)CC1)[C@@H](O)CO2 ZINC000768438346 577555527 /nfs/dbraw/zinc/55/55/27/577555527.db2.gz RLLQHMIMHKTVAH-IBGZPJMESA-N -1 3 340.423 2.136 20 10 EECDHM [O-]c1cc2c(cc1CN1CCOC[C@H]1c1ccccc1)[C@@H](O)CO2 ZINC000768466736 577556566 /nfs/dbraw/zinc/55/65/66/577556566.db2.gz VRVGRRFTSOPMHQ-WMZOPIPTSA-N -1 3 327.380 2.392 20 10 EECDHM COc1cccc([O-])c1CN1CCN(CC(F)(F)C(F)F)CC1 ZINC000769422562 577577606 /nfs/dbraw/zinc/57/76/06/577577606.db2.gz JSQFMBSRTATJDM-UHFFFAOYSA-N -1 3 336.329 2.419 20 10 EECDHM CON(C)C(=O)c1ccc(NC(=O)c2ccc(C)c(O)c2[O-])cc1 ZINC000770482803 577597245 /nfs/dbraw/zinc/59/72/45/577597245.db2.gz DQPQXTNWFJMYQA-UHFFFAOYSA-N -1 3 330.340 2.292 20 10 EECDHM CC(C)NC(=O)CN[C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756365582 577842752 /nfs/dbraw/zinc/84/27/52/577842752.db2.gz XXGDNDUCXOQEQG-QMMMGPOBSA-N -1 3 333.201 2.469 20 10 EECDHM C[C@@H](NCCS(=O)(=O)NC(C)(C)C)c1cc(Cl)ccc1[O-] ZINC000756482901 577844890 /nfs/dbraw/zinc/84/48/90/577844890.db2.gz KPFQCPRRWCKTDB-SNVBAGLBSA-N -1 3 334.869 2.414 20 10 EECDHM Cc1cc(N(C)C)ccc1CNC(=O)c1sccc1-c1nnn[n-]1 ZINC000737269670 578247299 /nfs/dbraw/zinc/24/72/99/578247299.db2.gz FSEFSEKMUSFXJZ-UHFFFAOYSA-N -1 3 342.428 2.233 20 10 EECDHM Cc1cc(N(C)C)ccc1CNC(=O)c1sccc1-c1nn[n-]n1 ZINC000737269670 578247300 /nfs/dbraw/zinc/24/73/00/578247300.db2.gz FSEFSEKMUSFXJZ-UHFFFAOYSA-N -1 3 342.428 2.233 20 10 EECDHM COC(=O)c1cc2ccccc2c(C[N@@H+]2C[C@@H](C)[C@H](C(=O)[O-])C2)c1[O-] ZINC000831354275 601818227 /nfs/dbraw/zinc/81/82/27/601818227.db2.gz XOVPPFFZJRCXRQ-IAQYHMDHSA-N -1 3 343.379 2.485 20 10 EECDHM COC(=O)c1cc2ccccc2c(C[N@H+]2C[C@@H](C)[C@H](C(=O)[O-])C2)c1[O-] ZINC000831354275 601818228 /nfs/dbraw/zinc/81/82/28/601818228.db2.gz XOVPPFFZJRCXRQ-IAQYHMDHSA-N -1 3 343.379 2.485 20 10 EECDHM CC(C)CNC(=O)[C@@H]1CC12CCN(C(=O)c1cccc(O)c1[O-])CC2 ZINC001269685327 1184510121 /nfs/dbraw/zinc/51/01/21/1184510121.db2.gz BBQJUWWNOMSVMS-AWEZNQCLSA-N -1 3 346.427 2.112 20 10 EECDHM CC(=O)[C@@H](C)N1C[C@@]2(CC1=O)CCCCN2Cc1c([O-])cccc1F ZINC001273265656 1197889979 /nfs/dbraw/zinc/88/99/79/1197889979.db2.gz IVQAIPMIFFXSNC-YJYMSZOUSA-N -1 3 348.418 2.466 20 10 EECDHM CC(=O)[C@H](C)N1C[C@@]2(CC1=O)CCCCN2Cc1cccc(F)c1[O-] ZINC001273304562 1198005174 /nfs/dbraw/zinc/00/51/74/1198005174.db2.gz NXKFNUQACYTEOB-DJJJIMSYSA-N -1 3 348.418 2.466 20 10 EECDHM CC(=O)[C@H](C)N1CC[C@]2(CCCN2Cc2cccc(F)c2[O-])C1=O ZINC001273305079 1198007727 /nfs/dbraw/zinc/00/77/27/1198007727.db2.gz ZTWADHSEIJODFG-KPZWWZAWSA-N -1 3 334.391 2.076 20 10 EECDHM COC(=O)Cc1cccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)c1 ZINC000811690544 1200247543 /nfs/dbraw/zinc/24/75/43/1200247543.db2.gz BYXPHNUPZJQYJN-UHFFFAOYSA-N -1 3 335.381 2.217 20 10 EECDHM O=c1cccc(CN2CC3(C2)CN(Cc2c([O-])cccc2Cl)C3)[nH]1 ZINC001275216716 1205283271 /nfs/dbraw/zinc/28/32/71/1205283271.db2.gz BRFCMQKWQIWDFD-UHFFFAOYSA-N -1 3 345.830 2.464 20 10 EECDHM CC(C)C(CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(C)C ZINC000192635569 1210580075 /nfs/dbraw/zinc/58/00/75/1210580075.db2.gz BLVCEUUVHCHUHP-UHFFFAOYSA-N -1 3 342.461 2.422 20 10 EECDHM COc1ccc(N)cc1S(=O)(=O)[N-]c1ccc(O)cc1Cl ZINC001216429468 1297165508 /nfs/dbraw/zinc/16/55/08/1297165508.db2.gz UGDCFWZEUIYOEH-UHFFFAOYSA-N -1 3 328.777 2.437 20 10 EECDHM O=C(c1ccccc1)c1ccc([O-])c(O)c1OC[C@H]1COC(=O)O1 ZINC001227938830 1302015584 /nfs/dbraw/zinc/01/55/84/1302015584.db2.gz YPYJAHNHJKLROM-NSHDSACASA-N -1 3 330.292 2.243 20 10 EECDHM O=C(Nc1cn[nH]c1)[C@H]1CC12CN(Cc1cc(Cl)ccc1[O-])C2 ZINC001277457503 1303230278 /nfs/dbraw/zinc/23/02/78/1303230278.db2.gz IMONMSBBPGYGSD-CYBMUJFWSA-N -1 3 332.791 2.229 20 10 EECDHM CC[C@@H]1[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])CCC[C@]12CCC(=O)N2 ZINC001231451417 1303800940 /nfs/dbraw/zinc/80/09/40/1303800940.db2.gz YWSOKVNFACQENB-YJBOKZPZSA-N -1 3 332.400 2.114 20 10 EECDHM CC[C@@H]1[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])CCC[C@]12CCC(=O)N2 ZINC001231451417 1303800947 /nfs/dbraw/zinc/80/09/47/1303800947.db2.gz YWSOKVNFACQENB-YJBOKZPZSA-N -1 3 332.400 2.114 20 10 EECDHM O=C([O-])c1ccc(C[NH+]2CCC(N3CC(F)(F)C3)CC2)c([O-])c1 ZINC001231452179 1303801782 /nfs/dbraw/zinc/80/17/82/1303801782.db2.gz CVRWRNOZGXIGNC-UHFFFAOYSA-N -1 3 326.343 2.006 20 10 EECDHM [O-]c1cc(O)c(CN2CCN(Cc3cccnc3)CC2)cc1Cl ZINC001232260391 1304057247 /nfs/dbraw/zinc/05/72/47/1304057247.db2.gz PFNDBHQTDABSDI-UHFFFAOYSA-N -1 3 333.819 2.464 20 10 EECDHM [O-]c1cc(I)ccc1CN1CC[C@@]12CCOC2 ZINC001232977810 1304313089 /nfs/dbraw/zinc/31/30/89/1304313089.db2.gz NEPTZXIUTZAAHR-ZDUSSCGKSA-N -1 3 345.180 2.362 20 10 EECDHM O=c1c2cc(O)c(O)cc2oc2cc([O-])cc(O[C@@H]3CCOC3)c12 ZINC001234747826 1305019061 /nfs/dbraw/zinc/01/90/61/1305019061.db2.gz XEJBWWQZDZOFGW-SECBINFHSA-N -1 3 330.292 2.231 20 10 EECDHM COC[C@H]1CCN1Cc1cccc(I)c1[O-] ZINC001237785398 1306092240 /nfs/dbraw/zinc/09/22/40/1306092240.db2.gz FPDNCBMIMDAGFD-SNVBAGLBSA-N -1 3 333.169 2.218 20 10 EECDHM CC(=O)N(C)C1CN(Cc2cc(C)c(Br)cc2[O-])C1 ZINC001250129035 1317217220 /nfs/dbraw/zinc/21/72/20/1317217220.db2.gz VDVYZPLGUURZEF-UHFFFAOYSA-N -1 3 327.222 2.126 20 10 EECDHM COc1ccc(N2CCN(C(=O)c3ccc(N)cc3[O-])CC2)cc1F ZINC000831147035 1314576130 /nfs/dbraw/zinc/57/61/30/1314576130.db2.gz QXHIMMIMRHGPOE-UHFFFAOYSA-N -1 3 345.374 2.085 20 10 EECDHM Cc1cc(=O)oc2c1ccc([O-])c2CN1CCC(F)(F)[C@@H](CO)C1 ZINC001139126199 1314707788 /nfs/dbraw/zinc/70/77/88/1314707788.db2.gz ADAYYWOFKRXSRT-LLVKDONJSA-N -1 3 339.338 2.257 20 10 EECDHM O=C1c2ccccc2C(=O)c2cc([N-]S(=O)(=O)C3CC3)ccc21 ZINC001259269478 1319504639 /nfs/dbraw/zinc/50/46/39/1319504639.db2.gz CLAXMNFMTKEXLD-UHFFFAOYSA-N -1 3 327.361 2.366 20 10 EECDHM COC(=O)[C@@H]1COCCC12CN(Cc1cc(Cl)ccc1[O-])C2 ZINC001203663712 1321935413 /nfs/dbraw/zinc/93/54/13/1321935413.db2.gz FAPIWXHUXUVEFX-ZDUSSCGKSA-N -1 3 325.792 2.057 20 10 EECDHM CCOc1ccc(O)c(CN[C@@H](C(=O)[O-])c2ccc(OC)c(O)c2)c1 ZINC001610043557 1352148924 /nfs/dbraw/zinc/14/89/24/1352148924.db2.gz URQWVTVDXMSEOW-QGZVFWFLSA-N -1 3 347.367 2.421 20 10 EECDHM O=C([O-])c1cccc2c1CN(Cc1cc3c(cc1O)OCO3)CC2 ZINC001610850932 1352285757 /nfs/dbraw/zinc/28/57/57/1352285757.db2.gz XBFTVEDACNCIBF-UHFFFAOYSA-N -1 3 327.336 2.377 20 10 EECDHM CN(C)c1ccc(CNC(=O)c2csc(-c3nnn[n-]3)c2)cc1F ZINC001578997764 1344328154 /nfs/dbraw/zinc/32/81/54/1344328154.db2.gz FSOQNIASKRMKTD-UHFFFAOYSA-N -1 3 346.391 2.063 20 10 EECDHM C[C@@H](NCc1nnc(C2CC2)s1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589977398 1349089669 /nfs/dbraw/zinc/08/96/69/1349089669.db2.gz XMUWKLADFIWGLW-MRVPVSSYSA-N -1 3 343.416 2.152 20 10 EECDHM CC[C@@H](COCC1CC1)[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590446352 1349328941 /nfs/dbraw/zinc/32/89/41/1349328941.db2.gz ARZLMMRDSMQCIL-AAEUAGOBSA-N -1 3 331.420 2.428 20 10 EECDHM C[C@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001604326115 1350916428 /nfs/dbraw/zinc/91/64/28/1350916428.db2.gz GLJSGGMGZFINQX-GXTWGEPZSA-N -1 3 344.415 2.144 20 10 EECDHM CS(=O)(=O)C1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000388804279 1370270937 /nfs/dbraw/zinc/27/09/37/1370270937.db2.gz ULPKRCDTUNBHDI-UHFFFAOYSA-N -1 3 348.262 2.164 20 10 EECDHM CCN(CCS(C)(=O)=O)Cc1c([O-])cccc1Br ZINC000707142933 786117459 /nfs/dbraw/zinc/11/74/59/786117459.db2.gz OZDJNSCLHQVRPA-UHFFFAOYSA-N -1 3 336.251 2.021 20 10 EECDHM O=C(Nc1ncnc2[nH]cc(Br)c21)c1cccc(O)c1[O-] ZINC001148212113 792245674 /nfs/dbraw/zinc/24/56/74/792245674.db2.gz MSSLKLFCVIYQBQ-UHFFFAOYSA-N -1 3 349.144 2.384 20 10 EECDHM COC(=O)[C@@](C)(Cc1ccccc1)NC(=O)c1cccc(O)c1[O-] ZINC001148224925 792260273 /nfs/dbraw/zinc/26/02/73/792260273.db2.gz ZSAKMRCXBHEWGM-GOSISDBHSA-N -1 3 329.352 2.002 20 10 EECDHM O=C(Nc1ccc(-n2ccccc2=O)cc1)c1cc(O)c([O-])c(O)c1 ZINC001148586707 792573322 /nfs/dbraw/zinc/57/33/22/792573322.db2.gz UYWVGXFECOMIEQ-UHFFFAOYSA-N -1 3 338.319 2.207 20 10 EECDHM NC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1cccc(Br)c1[O-] ZINC000787423332 807110062 /nfs/dbraw/zinc/11/00/62/807110062.db2.gz KBTHXNROJJUHIZ-CDMKHQONSA-N -1 3 339.233 2.241 20 10 EECDHM CCOC(=O)[C@H](NCc1cc(Cl)ccc1[O-])[C@H]1CCCOC1 ZINC000789580576 808071867 /nfs/dbraw/zinc/07/18/67/808071867.db2.gz MPKGPGIDDJRBEH-XHDPSFHLSA-N -1 3 327.808 2.494 20 10 EECDHM CCOc1ccc(C[NH+]2CCC(O)(C3(C(=O)[O-])CCC3)CC2)c([O-])c1 ZINC001597101991 986724905 /nfs/dbraw/zinc/72/49/05/986724905.db2.gz LLGVMDYQGQECQK-UHFFFAOYSA-N -1 3 349.427 2.373 20 10 EECDHM CCc1nn(C)c(OC)c1CN[C@@H](C)c1cc(C(=O)[O-])ccc1O ZINC001597717428 988986061 /nfs/dbraw/zinc/98/60/61/988986061.db2.gz CSLALICAUHKIPF-JTQLQIEISA-N -1 3 333.388 2.246 20 10 EECDHM COc1ccc2ccc(O)c(CN3C[C@@H](C)O[C@H](C(=O)[O-])C3)c2c1 ZINC001599636305 994293411 /nfs/dbraw/zinc/29/34/11/994293411.db2.gz NFDDNVIENCVOHC-DIFFPNOSSA-N -1 3 331.368 2.228 20 10 EECDHM COc1ccc2ccc([O-])c(C[N@@H+]3C[C@@H](C)O[C@H](C(=O)[O-])C3)c2c1 ZINC001599636305 994293425 /nfs/dbraw/zinc/29/34/25/994293425.db2.gz NFDDNVIENCVOHC-DIFFPNOSSA-N -1 3 331.368 2.228 20 10 EECDHM COc1ccc2ccc([O-])c(C[N@H+]3C[C@@H](C)O[C@H](C(=O)[O-])C3)c2c1 ZINC001599636305 994293439 /nfs/dbraw/zinc/29/34/39/994293439.db2.gz NFDDNVIENCVOHC-DIFFPNOSSA-N -1 3 331.368 2.228 20 10 EECDHM C[C@H]([NH2+][C@H]1CCCN2CCSC[C@@H]12)c1cc(C(=O)[O-])ccc1[O-] ZINC001593219075 994295561 /nfs/dbraw/zinc/29/55/61/994295561.db2.gz MBEWVUCWMPPZIM-CQDKDKBSSA-N -1 3 336.457 2.321 20 10 EECDHM C[C@@H](NC1CN(C(=O)OC(C)(C)C)C1)c1cc(C(=O)[O-])ccc1O ZINC001593231457 994375487 /nfs/dbraw/zinc/37/54/87/994375487.db2.gz KKXUZRZSBFBIPS-SNVBAGLBSA-N -1 3 336.388 2.360 20 10 EECDHM [O-]c1ccc(Br)cc1CN1CC[C@H](N2CCOCC2)C1 ZINC000134137834 463008459 /nfs/dbraw/zinc/00/84/59/463008459.db2.gz UQCXRAFHCDJDFB-AWEZNQCLSA-N -1 3 341.249 2.061 20 10 EECDHM O=C(CN(Cc1ccccc1[O-])C[C@H]1CCCO1)Nc1nccs1 ZINC000070976167 463398546 /nfs/dbraw/zinc/39/85/46/463398546.db2.gz NJVNZCXLUIXYKQ-CQSZACIVSA-N -1 3 347.440 2.468 20 10 EECDHM O=C1CCCN1[C@H]1CCN(Cc2cc(Br)ccc2[O-])C1 ZINC000276852266 463781495 /nfs/dbraw/zinc/78/14/95/463781495.db2.gz VBGBVDHKPAFNJC-ZDUSSCGKSA-N -1 3 339.233 2.351 20 10 EECDHM C[C@H](NCC(=O)N1CCOCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000186235389 463957966 /nfs/dbraw/zinc/95/79/66/463957966.db2.gz YVOPQMFCJCUNBK-VIFPVBQESA-N -1 3 333.215 2.208 20 10 EECDHM O=S1(=O)CCCN1[C@@H]1CCCN(Cc2c([O-])cccc2Cl)C1 ZINC000278987223 464019551 /nfs/dbraw/zinc/01/95/51/464019551.db2.gz ACPXAVDWJLGOGB-GFCCVEGCSA-N -1 3 344.864 2.046 20 10 EECDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2ccc(NC(C)=O)nc2)c1 ZINC000279207838 464063929 /nfs/dbraw/zinc/06/39/29/464063929.db2.gz XWTBVUKCGMNXLB-LLVKDONJSA-N -1 3 343.383 2.383 20 10 EECDHM O=C(NC1CC1)[C@H]1CCCN1Cc1cc(Br)ccc1[O-] ZINC000179485795 464143816 /nfs/dbraw/zinc/14/38/16/464143816.db2.gz XBYXLBUGCJQUGV-CYBMUJFWSA-N -1 3 339.233 2.398 20 10 EECDHM Cc1ccc(C(=O)NCCCCN2C[C@H](C)O[C@@H](C)C2)c([O-])c1O ZINC000179540151 464153473 /nfs/dbraw/zinc/15/34/73/464153473.db2.gz UIAWQNGMJDBPGY-KBPBESRZSA-N -1 3 336.432 2.025 20 10 EECDHM NC(=O)CCC1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000271162888 464286141 /nfs/dbraw/zinc/28/61/41/464286141.db2.gz BLPFQHVQDAEYMW-UHFFFAOYSA-N -1 3 341.795 2.431 20 10 EECDHM CCOC(=O)[C@@H](F)C1CN(Cc2cc(Br)ccc2[O-])C1 ZINC000293861717 464423098 /nfs/dbraw/zinc/42/30/98/464423098.db2.gz IIBPROJDSWPGFH-ZDUSSCGKSA-N -1 3 346.196 2.488 20 10 EECDHM Cc1ccc(C(=O)N2CCC[C@@H]2CC(=O)c2cnn(C)c2)c([O-])c1O ZINC000182848736 464742135 /nfs/dbraw/zinc/74/21/35/464742135.db2.gz VMMQOSCTHHOFBL-CYBMUJFWSA-N -1 3 343.383 2.017 20 10 EECDHM CN(C)C(=O)CN(C)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000182955387 464764593 /nfs/dbraw/zinc/76/45/93/464764593.db2.gz YJKZDGWNMKKTIC-UHFFFAOYSA-N -1 3 328.412 2.491 20 10 EECDHM Cc1ccc(C(=O)N2CCN(CC(F)(F)F)[C@H](C)C2)c([O-])c1O ZINC000182953491 464764742 /nfs/dbraw/zinc/76/47/42/464764742.db2.gz FLFKRGAMUOMQKC-SNVBAGLBSA-N -1 3 332.322 2.115 20 10 EECDHM CC(=O)CCC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000367079953 466115758 /nfs/dbraw/zinc/11/57/58/466115758.db2.gz XUSGWOQLIAWYGL-HNNXBMFYSA-N -1 3 338.835 2.495 20 10 EECDHM CCCOc1ccc(CN(CC)[C@H](C)CS(C)(=O)=O)c([O-])c1 ZINC000093391092 528661263 /nfs/dbraw/zinc/66/12/63/528661263.db2.gz NPPJHRJGBRXEJC-CYBMUJFWSA-N -1 3 329.462 2.436 20 10 EECDHM COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc([O-])cs1 ZINC000731868008 577130918 /nfs/dbraw/zinc/13/09/18/577130918.db2.gz HSIMFFHFHVYSKV-CQSZACIVSA-N -1 3 344.392 2.449 20 10 EECDHM CN(CC(=O)Nc1cc(F)cc(F)c1)C(=O)c1cc([O-])cs1 ZINC000732284415 577166343 /nfs/dbraw/zinc/16/63/43/577166343.db2.gz PPQVQXRSJKGDRV-UHFFFAOYSA-N -1 3 326.324 2.443 20 10 EECDHM C[C@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(C)(C)C ZINC000734549167 577306719 /nfs/dbraw/zinc/30/67/19/577306719.db2.gz MEIGJFUWKWDONS-SNVBAGLBSA-N -1 3 328.434 2.176 20 10 EECDHM COc1c([O-])c(CN2CCCC[C@H]2C2OCCO2)ccc1[N+](=O)[O-] ZINC000774876990 577421807 /nfs/dbraw/zinc/42/18/07/577421807.db2.gz UCZHVAZVTAGJGU-ZDUSSCGKSA-N -1 3 338.360 2.036 20 10 EECDHM CN(Cc1nnc2n1CCC2)Cc1cc(Br)ccc1[O-] ZINC000768224075 577552377 /nfs/dbraw/zinc/55/23/77/577552377.db2.gz QLHAYWFVUUKBJE-UHFFFAOYSA-N -1 3 337.221 2.324 20 10 EECDHM Cc1ccc(C(=O)N2CCN(Cc3cccs3)CC2)c([O-])c1O ZINC000751530779 577754969 /nfs/dbraw/zinc/75/49/69/577754969.db2.gz SSRYSDKEXIWGCK-UHFFFAOYSA-N -1 3 332.425 2.426 20 10 EECDHM Cc1ccc(C(=O)N2CCC(C(=O)N(C)C(C)C)CC2)c([O-])c1O ZINC000751534345 577755074 /nfs/dbraw/zinc/75/50/74/577755074.db2.gz VUFHQYWHSIRHAH-UHFFFAOYSA-N -1 3 334.416 2.125 20 10 EECDHM CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)c1cc([O-])cs1 ZINC000752644992 577774137 /nfs/dbraw/zinc/77/41/37/577774137.db2.gz AISUHSGAYCVIOX-LLVKDONJSA-N -1 3 339.438 2.436 20 10 EECDHM CN(Cc1ccc(OCc2ccccc2)cc1[O-])[C@H]1CCNC1=O ZINC000753551330 577789820 /nfs/dbraw/zinc/78/98/20/577789820.db2.gz ZZVQXXDWGUQUAN-KRWDZBQOSA-N -1 3 326.396 2.292 20 10 EECDHM CO[C@@H]1CN(Cc2cc(C)cc(Br)c2[O-])C[C@@H]1OC ZINC000754154381 577801277 /nfs/dbraw/zinc/80/12/77/577801277.db2.gz NKCPJOXRVPXHPU-BETUJISGSA-N -1 3 330.222 2.309 20 10 EECDHM CCc1nsc(N2CCCN(C(=O)c3cc([O-])cs3)CC2)n1 ZINC000743820435 577890179 /nfs/dbraw/zinc/89/01/79/577890179.db2.gz CZILAINZHVAJAG-UHFFFAOYSA-N -1 3 338.458 2.220 20 10 EECDHM Cn1nc(C(C)(C)C)cc1NC(=O)COC(=O)c1cc([O-])cs1 ZINC000745003174 577906619 /nfs/dbraw/zinc/90/66/19/577906619.db2.gz ZCVONEOEZUAPGF-UHFFFAOYSA-N -1 3 337.401 2.280 20 10 EECDHM CCOC(=O)[C@@H]1CN(Cc2c([O-])ccc3ccc(OC)cc32)CCO1 ZINC000741244087 578115309 /nfs/dbraw/zinc/11/53/09/578115309.db2.gz ZSVVBGFOZNIBKV-SFHVURJKSA-N -1 3 345.395 2.318 20 10 EECDHM Cc1cc(C(=O)N[C@@H]2C[C@@H]2C)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000737233385 578244864 /nfs/dbraw/zinc/24/48/64/578244864.db2.gz CCYKDDYPRJWGRY-MGPLVRAMSA-N -1 3 336.399 2.412 20 10 EECDHM Cc1cc(C(=O)N[C@@H]2C[C@@H]2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737233385 578244865 /nfs/dbraw/zinc/24/48/65/578244865.db2.gz CCYKDDYPRJWGRY-MGPLVRAMSA-N -1 3 336.399 2.412 20 10 EECDHM O=C([O-])/C=C/c1ccc(N2CC[C@H](N3CC=CC3)C2)c([N+](=O)[O-])c1 ZINC000833196395 600819440 /nfs/dbraw/zinc/81/94/40/600819440.db2.gz SHSGAIIFTJJADQ-YVZNUBBCSA-N -1 3 329.356 2.143 20 10 EECDHM CC(=O)c1cc(F)cc(CN2CC(=O)NC[C@@H]2c2ccccc2)c1[O-] ZINC000933327126 676592916 /nfs/dbraw/zinc/59/29/16/676592916.db2.gz QMKRRMMOZBGZEB-QGZVFWFLSA-N -1 3 342.370 2.407 20 10 EECDHM COC[C@@]1(CO)CCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000894929963 683412321 /nfs/dbraw/zinc/41/23/21/683412321.db2.gz QXPICTYVNUAJFC-AWEZNQCLSA-N -1 3 348.212 2.125 20 10 EECDHM CON(C)C(=O)C1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000812779962 1200910425 /nfs/dbraw/zinc/91/04/25/1200910425.db2.gz NMZPDHUGYOZQSB-UHFFFAOYSA-N -1 3 330.787 2.417 20 10 EECDHM CC[C@@H](C)N1CC[C@@]2(CC[N@H+](Cc3ccc(C(=O)[O-])cc3[O-])C2)C1=O ZINC001273707490 1283767687 /nfs/dbraw/zinc/76/76/87/1283767687.db2.gz QVWJAZJXTLYLMV-BFUOFWGJSA-N -1 3 346.427 2.313 20 10 EECDHM CC[C@@H](C)N1CC[C@@]2(CC[N@@H+](Cc3ccc(C(=O)[O-])cc3[O-])C2)C1=O ZINC001273707490 1283767697 /nfs/dbraw/zinc/76/76/97/1283767697.db2.gz QVWJAZJXTLYLMV-BFUOFWGJSA-N -1 3 346.427 2.313 20 10 EECDHM O=S(=O)(Cc1cccnc1)Nc1ccc([O-])c(Br)c1 ZINC001197457091 1284641426 /nfs/dbraw/zinc/64/14/26/1284641426.db2.gz DMKGCIAEUNCTIP-UHFFFAOYSA-N -1 3 343.202 2.492 20 10 EECDHM CCC[C@@H]1C(=O)NCCN1Cc1c([O-])cccc1Br ZINC000862250273 1295770633 /nfs/dbraw/zinc/77/06/33/1295770633.db2.gz MDMLRRDJZGKLSY-GFCCVEGCSA-N -1 3 327.222 2.255 20 10 EECDHM COC(=O)C(C)(C)N1CCN(Cc2cc(Cl)c(C)cc2[O-])CC1 ZINC000825562400 1295991392 /nfs/dbraw/zinc/99/13/92/1295991392.db2.gz LDLPESHHBSDYKJ-UHFFFAOYSA-N -1 3 340.851 2.423 20 10 EECDHM CC1(C)CN(C2CN(Cc3cc(Cl)c([O-])cc3O)C2)CCO1 ZINC001232262762 1304056770 /nfs/dbraw/zinc/05/67/70/1304056770.db2.gz OXFCHYNXWIATEZ-UHFFFAOYSA-N -1 3 326.824 2.046 20 10 EECDHM COc1cc([O-])c(CN2CCOC3(CCOCC3)C2)cc1Cl ZINC001232268420 1304059782 /nfs/dbraw/zinc/05/97/82/1304059782.db2.gz NNOLXPQAGCYHNC-UHFFFAOYSA-N -1 3 327.808 2.436 20 10 EECDHM COc1cc([O-])c(CN2C[C@H](CO)C[C@H](F)C2)cc1Br ZINC001233134814 1304372841 /nfs/dbraw/zinc/37/28/41/1304372841.db2.gz FETFWVZLXMHGER-KOLCDFICSA-N -1 3 348.212 2.316 20 10 EECDHM CS(=O)(=O)[C@H]1CCCN(Cc2ccc(C(F)(F)F)cc2[O-])C1 ZINC001233455060 1304469486 /nfs/dbraw/zinc/46/94/86/1304469486.db2.gz UQTWRJBXNMFYSV-LBPRGKRZSA-N -1 3 337.363 2.420 20 10 EECDHM CCOC(=O)CN(C)Cc1c([O-])cc(OC)cc1Br ZINC001237066145 1305783836 /nfs/dbraw/zinc/78/38/36/1305783836.db2.gz SUXWMYJYOQXSEP-UHFFFAOYSA-N -1 3 332.194 2.158 20 10 EECDHM Cc1cc([O-])c(CN2CC(=O)N3CCC[C@@H]3C2)cc1Br ZINC001237678527 1306040448 /nfs/dbraw/zinc/04/04/48/1306040448.db2.gz AAONVGVHBJLIIY-GFCCVEGCSA-N -1 3 339.233 2.270 20 10 EECDHM O=S1(=O)CC[C@H](N(Cc2c([O-])ccc3ccncc32)C2CC2)C1 ZINC000836023156 1314968040 /nfs/dbraw/zinc/96/80/40/1314968040.db2.gz VTZGFHUNJYUQJU-AWEZNQCLSA-N -1 3 332.425 2.092 20 10 EECDHM COC[C@@H]1COCCN1Cc1cc(C)c(Br)cc1[O-] ZINC001250133681 1317217747 /nfs/dbraw/zinc/21/77/47/1317217747.db2.gz PIDDQRZEQOJHKV-GFCCVEGCSA-N -1 3 330.222 2.310 20 10 EECDHM C[C@@H]([NH2+]Cc1cccc(N(C)C)c1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603670480 1350738780 /nfs/dbraw/zinc/73/87/80/1350738780.db2.gz HRVHNOKMRDAODI-GFCCVEGCSA-N -1 3 338.415 2.489 20 10 EECDHM O=C1[C@H](Sc2nccs2)CCN1c1ccc(-c2nnn[n-]2)cc1 ZINC001609586631 1352028246 /nfs/dbraw/zinc/02/82/46/1352028246.db2.gz OPSUIVKTIZIFBV-LLVKDONJSA-N -1 3 344.425 2.221 20 10 EECDHM O=C1[C@H](Sc2nccs2)CCN1c1ccc(-c2nn[n-]n2)cc1 ZINC001609586631 1352028249 /nfs/dbraw/zinc/02/82/49/1352028249.db2.gz OPSUIVKTIZIFBV-LLVKDONJSA-N -1 3 344.425 2.221 20 10 EECDHM Cc1nsc(N[C@@H](C)Cc2ccc(O)c(O)c2)c1-c1nnn[n-]1 ZINC001592482686 1349636820 /nfs/dbraw/zinc/63/68/20/1349636820.db2.gz JAJBCKJLYIIDOK-ZETCQYMHSA-N -1 3 332.389 2.086 20 10 EECDHM C[C@H]([NH2+]CCCNc1ccccn1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603661930 1350736886 /nfs/dbraw/zinc/73/68/86/1350736886.db2.gz FBWJJJCKAZNCDO-LBPRGKRZSA-N -1 3 339.403 2.120 20 10 EECDHM CN(C)c1ccc(CNC(=O)c2sccc2-c2nnn[n-]2)cc1F ZINC001604704524 1350988668 /nfs/dbraw/zinc/98/86/68/1350988668.db2.gz PQYKNHHCUYBADK-UHFFFAOYSA-N -1 3 346.391 2.063 20 10 EECDHM CN(C)c1ccc(CNC(=O)c2sccc2-c2nn[n-]n2)cc1F ZINC001604704524 1350988670 /nfs/dbraw/zinc/98/86/70/1350988670.db2.gz PQYKNHHCUYBADK-UHFFFAOYSA-N -1 3 346.391 2.063 20 10 EECDHM COc1cc(Cl)cc(C[NH2+][C@H](Cc2cncs2)C(=O)[O-])c1[O-] ZINC001607167234 1351441730 /nfs/dbraw/zinc/44/17/30/1351441730.db2.gz OOAZCCJAFLPBFT-LLVKDONJSA-N -1 3 342.804 2.296 20 10 EECDHM CN(Cc1nnc2n1CCC2)Cc1c([O-])cccc1Br ZINC000862215096 1369525027 /nfs/dbraw/zinc/52/50/27/1369525027.db2.gz HVCZQFDLMUDSSP-UHFFFAOYSA-N -1 3 337.221 2.324 20 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FJJDDCZKSAYTRL-UHFFFAOYSA-N -1 3 349.774 2.052 20 10 EECDHM CC(C)(C)OC(=O)N(CCNC(=O)c1cccc(O)c1[O-])C1CC1 ZINC000790630937 808837543 /nfs/dbraw/zinc/83/75/43/808837543.db2.gz XFKBBZMKAAGROV-UHFFFAOYSA-N -1 3 336.388 2.227 20 10 EECDHM CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)c2cccc(O)c2[O-])C1 ZINC000790716715 808882654 /nfs/dbraw/zinc/88/26/54/808882654.db2.gz IFVXNNZGSITFRY-NSHDSACASA-N -1 3 336.388 2.227 20 10 EECDHM CN(C)c1ccc([C@@H](CNC(=O)C2(CC(=O)[O-])CCC2)N(C)C)cc1 ZINC001604083251 972478672 /nfs/dbraw/zinc/47/86/72/972478672.db2.gz HHFVFLFMASITHW-MRXNPFEDSA-N -1 3 347.459 2.117 20 10 EECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H]2C2CCC2)c1 ZINC000094105856 533420354 /nfs/dbraw/zinc/42/03/54/533420354.db2.gz SAEWLNYLZFPVOX-CQSZACIVSA-N -1 3 338.429 2.168 20 10 EECDHM Cc1cc([O-])c(CN2CC[C@H](S(C)(=O)=O)C2)cc1Br ZINC001237678714 782084126 /nfs/dbraw/zinc/08/41/26/782084126.db2.gz LITYOHIGWUETDB-NSHDSACASA-N -1 3 348.262 2.082 20 10 EECDHM CC[C@H](C)CN(CC)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000131126623 462794372 /nfs/dbraw/zinc/79/43/72/462794372.db2.gz BGIPIRYREJEBOP-NSHDSACASA-N -1 3 328.434 2.272 20 10 EECDHM CCC1(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCCC1 ZINC000134310514 463024383 /nfs/dbraw/zinc/02/43/83/463024383.db2.gz VZNVFDJYNXVWEP-UHFFFAOYSA-N -1 3 340.445 2.464 20 10 EECDHM CC(=O)c1cc(Cl)cc(CN(C)CCNC(=O)C(C)C)c1[O-] ZINC000157543114 463141841 /nfs/dbraw/zinc/14/18/41/463141841.db2.gz GKNQFXNTPCRNDR-UHFFFAOYSA-N -1 3 326.824 2.452 20 10 EECDHM COc1cc(Cl)cc(CN2CCCC[C@H](S(C)(=O)=O)C2)c1[O-] ZINC000278610820 463972732 /nfs/dbraw/zinc/97/27/32/463972732.db2.gz GNXNSWMIUIPZMS-ZDUSSCGKSA-N -1 3 347.864 2.453 20 10 EECDHM O=C(NC1CCN(C(=O)c2cccc(O)c2[O-])CC1)c1ccccc1 ZINC000186824039 464069695 /nfs/dbraw/zinc/06/96/95/464069695.db2.gz MHZYXZMTSDLVOJ-UHFFFAOYSA-N -1 3 340.379 2.132 20 10 EECDHM CCCOc1ccc(CN2CCN(CC(F)(F)F)C(=O)C2)c([O-])c1 ZINC000289659045 464089318 /nfs/dbraw/zinc/08/93/18/464089318.db2.gz NDFWNVXFLRHKKX-UHFFFAOYSA-N -1 3 346.349 2.388 20 10 EECDHM Cc1ccc(C(=O)Nc2ccc(CN3CCOCC3)cc2)c([O-])c1O ZINC000179393310 464127638 /nfs/dbraw/zinc/12/76/38/464127638.db2.gz SGOLHIBRIZULHS-UHFFFAOYSA-N -1 3 342.395 2.491 20 10 EECDHM CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)c2cccc(O)c2[O-])C1 ZINC000188283874 464244154 /nfs/dbraw/zinc/24/41/54/464244154.db2.gz ZHDJXXZMISCUBN-CHWSQXEVSA-N -1 3 334.416 2.255 20 10 EECDHM CCOc1ccc(CN2CCn3c(nnc3C(F)(F)F)C2)c([O-])c1 ZINC000769441002 577577982 /nfs/dbraw/zinc/57/79/82/577577982.db2.gz DWGKWEMHNATEIR-UHFFFAOYSA-N -1 3 342.321 2.417 20 10 EECDHM O=C(c1csc(=O)[n-]1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000769719483 577583042 /nfs/dbraw/zinc/58/30/42/577583042.db2.gz FTJRQZJBJBXQJS-GFCCVEGCSA-N -1 3 334.397 2.376 20 10 EECDHM Cc1ccc(C(=O)N(C)CCCNC(=O)OC(C)(C)C)c([O-])c1O ZINC000770493735 577597453 /nfs/dbraw/zinc/59/74/53/577597453.db2.gz IGUOFXRCJWJLNB-UHFFFAOYSA-N -1 3 338.404 2.393 20 10 EECDHM Nc1ccc(N(C(=O)C(=O)[N-]c2cnns2)C2CCCCC2)cc1 ZINC000760301816 577660398 /nfs/dbraw/zinc/66/03/98/577660398.db2.gz KAJIEPVVKHRWHW-UHFFFAOYSA-N -1 3 345.428 2.425 20 10 EECDHM CN(Cc1ccc(S(C)(=O)=O)cc1)C(=O)c1cc([O-])cs1 ZINC000740929242 578109312 /nfs/dbraw/zinc/10/93/12/578109312.db2.gz XTCABELTSUTPIF-UHFFFAOYSA-N -1 3 325.411 2.129 20 10 EECDHM O=C1N=C(N2CCCCC2)SC1=Cc1ccc(-c2nnn[n-]2)s1 ZINC000823541902 606390044 /nfs/dbraw/zinc/39/00/44/606390044.db2.gz ULBROBKTXVOZHK-DHZHZOJOSA-N -1 3 346.441 2.384 20 10 EECDHM CCN(C[C@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(OC)cc1 ZINC000821170232 606922850 /nfs/dbraw/zinc/92/28/50/606922850.db2.gz OKRSGGUNIGLXDT-KRWDZBQOSA-N -1 3 339.399 2.435 20 10 EECDHM CCN(C[C@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(OC)cc1 ZINC000821170232 606922852 /nfs/dbraw/zinc/92/28/52/606922852.db2.gz OKRSGGUNIGLXDT-KRWDZBQOSA-N -1 3 339.399 2.435 20 10 EECDHM COCCCN1CC[C@@]2(CCCN2Cc2c([O-])cccc2F)C1=O ZINC001273265312 1197887581 /nfs/dbraw/zinc/88/75/81/1197887581.db2.gz FANAYLWCNLWVPR-SFHVURJKSA-N -1 3 336.407 2.135 20 10 EECDHM CC(=O)[C@H](C)N1C[C@]2(CC1=O)CCCCN2Cc1c([O-])cccc1F ZINC001273265654 1197890019 /nfs/dbraw/zinc/89/00/19/1197890019.db2.gz IVQAIPMIFFXSNC-ORAYPTAESA-N -1 3 348.418 2.466 20 10 EECDHM Cc1cc(Br)c([O-])c(CN2CCSC[C@H]2CO)c1 ZINC000877780503 1200098045 /nfs/dbraw/zinc/09/80/45/1200098045.db2.gz SRSFCMPXTQAEBK-LLVKDONJSA-N -1 3 332.263 2.373 20 10 EECDHM Cc1cc(CN2C[C@H]3CC[C@@H](C2)N3Cc2c([O-])cccc2F)n(C)n1 ZINC001276360015 1213986258 /nfs/dbraw/zinc/98/62/58/1213986258.db2.gz OQNMAGLOYYHDNW-GASCZTMLSA-N -1 3 344.434 2.422 20 10 EECDHM O=C(N[C@@H]1CCN(C(=O)Nc2ccccc2)C1)c1cccc(O)c1[O-] ZINC000801589278 1235870982 /nfs/dbraw/zinc/87/09/82/1235870982.db2.gz NAMBQGVHDBTKHJ-CYBMUJFWSA-N -1 3 341.367 2.134 20 10 EECDHM Cn1nc(C2CC2)cc1S(=O)(=O)[N-]c1ccc(O)cc1Cl ZINC000901936297 1236671958 /nfs/dbraw/zinc/67/19/58/1236671958.db2.gz JKTOKYQYJUMWFJ-UHFFFAOYSA-N -1 3 327.793 2.457 20 10 EECDHM COC(=O)N1CCN(Cc2cc(C)c(Br)cc2[O-])CC1 ZINC001250120308 1278581143 /nfs/dbraw/zinc/58/11/43/1278581143.db2.gz AXTZKISPPYEJJU-UHFFFAOYSA-N -1 3 343.221 2.347 20 10 EECDHM O=C(NC1CC1)[C@H]1CCCN1Cc1cccc(Br)c1[O-] ZINC000121482648 1284752580 /nfs/dbraw/zinc/75/25/80/1284752580.db2.gz KOWVQHZXINWMJW-CYBMUJFWSA-N -1 3 339.233 2.398 20 10 EECDHM COC(=O)[C@]1(C)COCCN1Cc1c([O-])ccc2ccc(OC)cc21 ZINC001234568983 1304972988 /nfs/dbraw/zinc/97/29/88/1304972988.db2.gz IGEPBVLAFZOOKS-IBGZPJMESA-N -1 3 345.395 2.318 20 10 EECDHM O=c1cc2c(n[nH]1)CCN(Cc1ccc(Br)cc1[O-])C2 ZINC000825548332 1292137448 /nfs/dbraw/zinc/13/74/48/1292137448.db2.gz FEJUHLDXXJZNJS-UHFFFAOYSA-N -1 3 336.189 2.209 20 10 EECDHM C[C@@H]1CCN(Cc2ccc(C(=O)[O-])cc2O)C[C@@]1(O)C(F)(F)F ZINC001231446145 1303798916 /nfs/dbraw/zinc/79/89/16/1303798916.db2.gz DWFARWFHJLINAX-OTYXRUKQSA-N -1 3 333.306 2.226 20 10 EECDHM COC[C@H]1COCCC12CC[NH+](Cc1ccc(C(=O)[O-])cc1[O-])CC2 ZINC001231451636 1303801252 /nfs/dbraw/zinc/80/12/52/1303801252.db2.gz NXIWDGWRYPAEKA-INIZCTEOSA-N -1 3 349.427 2.356 20 10 EECDHM Cc1cccc(N2CCN(Cc3cc(C(=O)[O-])ccc3O)CC2)n1 ZINC001231559673 1303845285 /nfs/dbraw/zinc/84/52/85/1303845285.db2.gz IBQAYXRMMIVVNJ-UHFFFAOYSA-N -1 3 327.384 2.116 20 10 EECDHM COc1ccc(N2CCN(Cc3cc(C(=O)[O-])ccc3O)CC2)cc1 ZINC001231561098 1303846346 /nfs/dbraw/zinc/84/63/46/1303846346.db2.gz RDMRZURFAJPICK-UHFFFAOYSA-N -1 3 342.395 2.421 20 10 EECDHM COC[C@@]12CCCO[C@H]1CC[N@H+](Cc1cc(C(=O)[O-])ccc1[O-])C2 ZINC001231564588 1303848790 /nfs/dbraw/zinc/84/87/90/1303848790.db2.gz XHAMLSPSFUUYMS-WMZOPIPTSA-N -1 3 335.400 2.108 20 10 EECDHM COC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1cc(C(=O)[O-])ccc1[O-])C2 ZINC001231564588 1303848798 /nfs/dbraw/zinc/84/87/98/1303848798.db2.gz XHAMLSPSFUUYMS-WMZOPIPTSA-N -1 3 335.400 2.108 20 10 EECDHM O=C(N1CCCC1)C12CC(C1)CN2Cc1cc(Cl)c([O-])cc1O ZINC001232259768 1304056851 /nfs/dbraw/zinc/05/68/51/1304056851.db2.gz JAJOSXGIOYGHEZ-UHFFFAOYSA-N -1 3 336.819 2.338 20 10 EECDHM CCOC(=O)[C@H]1CN(Cc2cc(Cl)c([O-])cc2O)CCS1 ZINC001232263949 1304058067 /nfs/dbraw/zinc/05/80/67/1304058067.db2.gz XHEKNMYTGFZMSL-CYBMUJFWSA-N -1 3 331.821 2.232 20 10 EECDHM COC(=O)[C@@H]1CN(Cc2cccc(C(F)(F)F)c2[O-])CCCO1 ZINC001233419327 1304461752 /nfs/dbraw/zinc/46/17/52/1304461752.db2.gz UBWYGRPPIPPFAD-LBPRGKRZSA-N -1 3 333.306 2.175 20 10 EECDHM COc1ccc(CN2CC[C@@H](Oc3ncccn3)C2)c([O-])c1Cl ZINC001236817147 1305688070 /nfs/dbraw/zinc/68/80/70/1305688070.db2.gz DNDFQTMAMRNWEX-GFCCVEGCSA-N -1 3 335.791 2.498 20 10 EECDHM CO[C@H](C)C1CN(Cc2cccc(I)c2[O-])C1 ZINC001237790340 1306093706 /nfs/dbraw/zinc/09/37/06/1306093706.db2.gz ZUYPJBXJNONJJN-SECBINFHSA-N -1 3 347.196 2.464 20 10 EECDHM CCOC(=O)c1cn2c(n1)CN(Cc1cc(Cl)ccc1[O-])CC2 ZINC001203658449 1321934419 /nfs/dbraw/zinc/93/44/19/1321934419.db2.gz VSRFRRAVHXZZHQ-UHFFFAOYSA-N -1 3 335.791 2.435 20 10 EECDHM Fc1cc(-c2nnn[n-]2)cnc1NCCCSc1nccs1 ZINC001609488958 1351996432 /nfs/dbraw/zinc/99/64/32/1351996432.db2.gz RNJBEBODOWQALX-UHFFFAOYSA-N -1 3 337.409 2.452 20 10 EECDHM Fc1cc(-c2nn[n-]n2)cnc1NCCCSc1nccs1 ZINC001609488958 1351996436 /nfs/dbraw/zinc/99/64/36/1351996436.db2.gz RNJBEBODOWQALX-UHFFFAOYSA-N -1 3 337.409 2.452 20 10 EECDHM CNC(=O)c1cccc(CC[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])c1 ZINC001610143981 1352173064 /nfs/dbraw/zinc/17/30/64/1352173064.db2.gz LGKAGZXRGSFIRD-GFCCVEGCSA-N -1 3 342.395 2.343 20 10 EECDHM CC[C@@H]([NH2+]CCOc1cccnc1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590471192 1349346315 /nfs/dbraw/zinc/34/63/15/1349346315.db2.gz YQMDQRAEUSYDPU-OAHLLOKOSA-N -1 3 340.387 2.087 20 10 EECDHM C[C@H](C[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-])C(=O)OC(C)(C)C ZINC001603551725 1350718646 /nfs/dbraw/zinc/71/86/46/1350718646.db2.gz DFYOAOFYCIJLEM-GHMZBOCLSA-N -1 3 347.419 2.201 20 10 EECDHM O=C1CN(Cc2c([O-])cccc2Br)CN1CC1CC1 ZINC000862351879 1369532000 /nfs/dbraw/zinc/53/20/00/1369532000.db2.gz UPWHJBORJSVFFE-UHFFFAOYSA-N -1 3 325.206 2.166 20 10 EECDHM COC(=O)CN(CCOCC1CC1)Cc1cc(Cl)ccc1[O-] ZINC000119566162 1369573819 /nfs/dbraw/zinc/57/38/19/1369573819.db2.gz GGGWARDQZLCOTF-UHFFFAOYSA-N -1 3 327.808 2.447 20 10 EECDHM O=C(c1cc(O)c([O-])c(O)c1)N(Cc1cc[nH]n1)Cc1ccccc1 ZINC001148587072 792573365 /nfs/dbraw/zinc/57/33/65/792573365.db2.gz CGRIJKNNQQDXRA-UHFFFAOYSA-N -1 3 339.351 2.369 20 10 EECDHM CCN(C)C(=O)OC[C@@H]1CCCCN1C(=O)c1cccc(O)c1[O-] ZINC000805293236 811216707 /nfs/dbraw/zinc/21/67/07/811216707.db2.gz MEFXXDOICCELKQ-LBPRGKRZSA-N -1 3 336.388 2.181 20 10 EECDHM O=C(NCc1ccccc1O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000806717145 811970970 /nfs/dbraw/zinc/97/09/70/811970970.db2.gz AVFSTNMDYDZSGT-UHFFFAOYSA-N -1 3 330.290 2.442 20 10 EECDHM C[C@H](CN1CCOCC1)C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000807836577 812363184 /nfs/dbraw/zinc/36/31/84/812363184.db2.gz GFRFZAKHXOPWRO-SNVBAGLBSA-N -1 3 347.242 2.284 20 10 EECDHM C[C@@H](CN1CCOCC1)C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000807836576 812363305 /nfs/dbraw/zinc/36/33/05/812363305.db2.gz GFRFZAKHXOPWRO-JTQLQIEISA-N -1 3 347.242 2.284 20 10 EECDHM COc1cc(Cl)cc(C[NH2+]CC2(C(=O)[O-])CCOCC2)c1[O-] ZINC001326189378 957317009 /nfs/dbraw/zinc/31/70/09/957317009.db2.gz XVPYVVNKRKHKBZ-UHFFFAOYSA-N -1 3 329.780 2.025 20 10 EECDHM O=C([O-])[C@H](NCc1ccc2c(c1)CCO2)c1ccc2c(c1)CCO2 ZINC000901531077 980359775 /nfs/dbraw/zinc/35/97/75/980359775.db2.gz SVWKGCOSHMWSDO-GOSISDBHSA-N -1 3 325.364 2.472 20 10 EECDHM C[C@H]([NH2+]C1CCN(c2cccnn2)CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593234077 994395798 /nfs/dbraw/zinc/39/57/98/994395798.db2.gz VGLGZAXPARLZGB-LBPRGKRZSA-N -1 3 342.399 2.200 20 10 EECDHM C[C@@H]1[C@H](C)S(=O)(=O)CCN1Cc1cc(Br)ccc1[O-] ZINC000093559176 237045162 /nfs/dbraw/zinc/04/51/62/237045162.db2.gz RRWDYPSFFPWXKW-ZJUUUORDSA-N -1 3 348.262 2.162 20 10 EECDHM O=C(NCc1nc(-c2cccc(F)c2)no1)c1cccc(O)c1[O-] ZINC000364828255 238229361 /nfs/dbraw/zinc/22/93/61/238229361.db2.gz DESWCFKBBHBXSV-UHFFFAOYSA-N -1 3 329.287 2.217 20 10 EECDHM C[C@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C[C@H](C)C1 ZINC000119345945 462891827 /nfs/dbraw/zinc/89/18/27/462891827.db2.gz LVOKOPIZXALFBJ-NWDGAFQWSA-N -1 3 340.445 2.272 20 10 EECDHM CCN(C1CCN(Cc2c([O-])cccc2Cl)CC1)S(C)(=O)=O ZINC000124219628 463399671 /nfs/dbraw/zinc/39/96/71/463399671.db2.gz FHRXBFBKMNXKDX-UHFFFAOYSA-N -1 3 346.880 2.292 20 10 EECDHM COc1c([O-])c(CN2CCC(n3ccnc3)CC2)ccc1[N+](=O)[O-] ZINC000278245128 463959542 /nfs/dbraw/zinc/95/95/42/463959542.db2.gz OOLNANCYTAABCG-UHFFFAOYSA-N -1 3 332.360 2.343 20 10 EECDHM CC(C)CO[C@@H](C)c1noc(CN(C)C(=O)c2cccc(O)c2[O-])n1 ZINC000279085372 464036819 /nfs/dbraw/zinc/03/68/19/464036819.db2.gz FNHIQNWZFOESOX-NSHDSACASA-N -1 3 349.387 2.487 20 10 EECDHM O=C(NCc1cc(F)ccc1N1CCOCC1)c1cccc(O)c1[O-] ZINC000279250205 464078711 /nfs/dbraw/zinc/07/87/11/464078711.db2.gz IAMHLEORAXNSJT-UHFFFAOYSA-N -1 3 346.358 2.004 20 10 EECDHM CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000187048743 464093169 /nfs/dbraw/zinc/09/31/69/464093169.db2.gz GCQHFNXDJAYHTD-QWHCGFSZSA-N -1 3 334.416 2.255 20 10 EECDHM [O-]c1ccc(Br)cc1CN1CCC[C@H](OCCO)C1 ZINC000179569898 464159041 /nfs/dbraw/zinc/15/90/41/464159041.db2.gz AXEWWBRDPHBRPR-ZDUSSCGKSA-N -1 3 330.222 2.128 20 10 EECDHM COCCOCCOCCN(C)Cc1cc(Cl)c(F)cc1[O-] ZINC000294566520 464539203 /nfs/dbraw/zinc/53/92/03/464539203.db2.gz GDUGRRRLGVMEIG-UHFFFAOYSA-N -1 3 335.803 2.296 20 10 EECDHM CCCOc1ccc(CN2CCN(c3ncc(F)cn3)CC2)c([O-])c1 ZINC000273727861 464724575 /nfs/dbraw/zinc/72/45/75/464724575.db2.gz JOANTJNBFVYEAC-UHFFFAOYSA-N -1 3 346.406 2.432 20 10 EECDHM Cc1cc(Br)cc([C@H](C)NCc2nncn2C)c1[O-] ZINC000275401315 464772978 /nfs/dbraw/zinc/77/29/78/464772978.db2.gz ZVSZQXUCUBSHSH-VIFPVBQESA-N -1 3 325.210 2.442 20 10 EECDHM COc1ccc(N2CCC(Nc3nc4nncc-4c(O)[n-]3)CC2)cc1 ZINC000302348459 466134066 /nfs/dbraw/zinc/13/40/66/466134066.db2.gz XXISKYUCZWGVGZ-UHFFFAOYSA-N -1 3 340.387 2.148 20 10 EECDHM Cc1nnc2n1CCN(Cc1cc(Br)cc(C)c1[O-])C2 ZINC000374995502 466762996 /nfs/dbraw/zinc/76/29/96/466762996.db2.gz DANZCBVXVPXBII-UHFFFAOYSA-N -1 3 337.221 2.379 20 10 EECDHM CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1[O-] ZINC000375008212 466765529 /nfs/dbraw/zinc/76/55/29/466765529.db2.gz LBRRZRSKRZAXSZ-ZBFHGGJFSA-N -1 3 334.416 2.212 20 10 EECDHM C[C@H](OC(=O)c1cc([O-])cs1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000731910893 577133063 /nfs/dbraw/zinc/13/30/63/577133063.db2.gz VTCIQRICAFIZKP-QMMMGPOBSA-N -1 3 335.337 2.366 20 10 EECDHM COc1ccc(CN(C)C(=O)COC(=O)c2cc([O-])cs2)cc1 ZINC000732353459 577174811 /nfs/dbraw/zinc/17/48/11/577174811.db2.gz PUCDJZIKAOETEC-UHFFFAOYSA-N -1 3 335.381 2.278 20 10 EECDHM COC(=O)c1cc(CN(C)Cc2cc3c(cc2[O-])OC[C@@H]3O)oc1C ZINC000768443051 577555792 /nfs/dbraw/zinc/55/57/92/577555792.db2.gz YBZYTDJDHZXXNY-INIZCTEOSA-N -1 3 347.367 2.138 20 10 EECDHM CN(Cc1ccc([S@@](C)=O)cc1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768464393 577556461 /nfs/dbraw/zinc/55/64/61/577556461.db2.gz QMMZFDYZTCCJNI-BXKMTCNYSA-N -1 3 347.436 2.187 20 10 EECDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@H]1CCCOC1 ZINC000768541784 577558176 /nfs/dbraw/zinc/55/81/76/577558176.db2.gz LGHQJZTYTIIIPK-GFCCVEGCSA-N -1 3 327.808 2.447 20 10 EECDHM CCNC(=O)[C@@H](C)N[C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756355303 577842666 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C[C@H](Cc1ccc(O)c(O)c1)Nc1cccc(F)c1-c1nn[n-]n1 ZINC000824458720 609417951 /nfs/dbraw/zinc/41/79/51/609417951.db2.gz XXRJRXPNFAZAMG-SECBINFHSA-N -1 3 329.335 2.460 20 10 EECDHM O=S(=O)([N-]c1ccc(O)cc1F)c1cncc(Br)c1 ZINC000085203913 676233905 /nfs/dbraw/zinc/23/39/05/676233905.db2.gz CLRXQBBZFBOQCW-UHFFFAOYSA-N -1 3 347.165 2.490 20 10 EECDHM CCN(Cc1cccc(Br)c1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000160565670 676342702 /nfs/dbraw/zinc/34/27/02/676342702.db2.gz MDPRNOPVWDAINL-NSHDSACASA-N -1 3 348.262 2.164 20 10 EECDHM NS(=O)(=O)c1ccc2c(c1)CCN2Cc1c([O-])cccc1Cl ZINC000127257537 686993169 /nfs/dbraw/zinc/99/31/69/686993169.db2.gz NIEDPZCZYYFUQU-UHFFFAOYSA-N -1 3 338.816 2.256 20 10 EECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N(CC(F)F)C2CCC2)c1 ZINC000925257753 688346414 /nfs/dbraw/zinc/34/64/14/688346414.db2.gz LOVTWUIEJXOKAZ-UHFFFAOYSA-N -1 3 348.371 2.024 20 10 EECDHM [O-]c1cc(F)cc(F)c1CN1CC[C@H]2[C@@H]1CCN2Cc1cn[nH]c1 ZINC001275306171 1205304510 /nfs/dbraw/zinc/30/45/10/1205304510.db2.gz 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CCC(CC)(C[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-])C(=O)OC ZINC001590428256 1349320482 /nfs/dbraw/zinc/32/04/82/1349320482.db2.gz QMWPQPOAPAHICV-NSHDSACASA-N -1 3 347.419 2.202 20 10 EECDHM CC[C@H]([NH2+]C[C@H]1CCN1C(C)(C)C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590466695 1349341354 /nfs/dbraw/zinc/34/13/54/1349341354.db2.gz MABPXDWBVZEMBV-DOMZBBRYSA-N -1 3 344.463 2.486 20 10 EECDHM C[C@H]([NH2+]CC1(O)Cc2ccccc2C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001604339095 1350918968 /nfs/dbraw/zinc/91/89/68/1350918968.db2.gz VLBIQKBFOJRBEL-LBPRGKRZSA-N -1 3 327.380 2.271 20 10 EECDHM CCc1cnc(CC[NH2+][C@H](C)c2cccc(-c3nn[n-]n3)c2[O-])s1 ZINC001604537711 1350957263 /nfs/dbraw/zinc/95/72/63/1350957263.db2.gz VAWWMRVZNCQNHY-SNVBAGLBSA-N -1 3 344.444 2.485 20 10 EECDHM Cc1c([C@@H](C)[NH2+][C@H](C)c2cccc(-c3nn[n-]n3)c2[O-])cnn1C ZINC001605483506 1351168660 /nfs/dbraw/zinc/16/86/60/1351168660.db2.gz FAPAJKUJLURBIX-NXEZZACHSA-N -1 3 327.392 2.026 20 10 EECDHM O=C(NCc1cc(Cl)ccc1O)c1cc(-c2nnn[n-]2)cs1 ZINC001606816540 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ZDDBIJCNZQCWDM-UHFFFAOYSA-N -1 3 335.371 2.374 20 10 EECDHM O=C(C=Cc1ccc(O)c(O)c1)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000822928403 607452033 /nfs/dbraw/zinc/45/20/33/607452033.db2.gz HUEUKFQSCSZLMC-XBXARRHUSA-N -1 3 338.323 2.035 20 10 EECDHM O=C(C=Cc1ccc(O)c(O)c1)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000822928403 607452034 /nfs/dbraw/zinc/45/20/34/607452034.db2.gz HUEUKFQSCSZLMC-XBXARRHUSA-N -1 3 338.323 2.035 20 10 EECDHM CCN(Cc1cc(Br)cc(F)c1[O-])[C@H]1CCNC1=O ZINC000894661779 683020753 /nfs/dbraw/zinc/02/07/53/683020753.db2.gz FPCOCVQYOYDVSA-NSHDSACASA-N -1 3 331.185 2.004 20 10 EECDHM Cc1ccc(C)n1-c1ccsc1C(=O)NCCCc1c[n-][nH]c1=O ZINC000898730698 693433876 /nfs/dbraw/zinc/43/38/76/693433876.db2.gz BKYGMTYOAYJMCI-CYBMUJFWSA-N -1 3 344.440 2.397 20 10 EECDHM O=C1CC[C@@H]2[C@@H](CCN2Cc2c([O-])cccc2F)N1CC(F)F ZINC001273266483 1197890900 /nfs/dbraw/zinc/89/09/00/1197890900.db2.gz ZOMLEJJQMUJPKB-CHWSQXEVSA-N -1 3 328.334 2.362 20 10 EECDHM C[C@@H]1CCS(=O)(=O)CCN1Cc1ccc(Br)cc1[O-] ZINC000825698190 1198701634 /nfs/dbraw/zinc/70/16/34/1198701634.db2.gz NDVAECBJGKTIOX-SNVBAGLBSA-N -1 3 348.262 2.164 20 10 EECDHM CCOc1ccc(O)c(CN2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)c1 ZINC000877775831 1200092579 /nfs/dbraw/zinc/09/25/79/1200092579.db2.gz RFJFYSWKRIMXSN-HNNXBMFYSA-N -1 3 346.349 2.434 20 10 EECDHM CN(C)c1ccc(CN2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)cc1 ZINC000877776099 1200092667 /nfs/dbraw/zinc/09/26/67/1200092667.db2.gz YBRDNGBAOQALSI-HNNXBMFYSA-N -1 3 329.366 2.396 20 10 EECDHM O=C([N-]CC1C[NH+](Cc2cc(Cl)c(F)cc2[O-])C1)C(F)(F)F ZINC000877776290 1200093699 /nfs/dbraw/zinc/09/36/99/1200093699.db2.gz DVHSGHDYRUYUEC-UHFFFAOYSA-N -1 3 340.704 2.295 20 10 EECDHM CN(CC(=O)N1CCCC1)Cc1cccc(Br)c1[O-] ZINC000132703147 1202119213 /nfs/dbraw/zinc/11/92/13/1202119213.db2.gz SVFVWJISKHVTFC-UHFFFAOYSA-N -1 3 327.222 2.209 20 10 EECDHM [O-]c1ccc(Br)cc1CN1CCN([C@@H]2CCOC2)CC1 ZINC000827120734 1250171026 /nfs/dbraw/zinc/17/10/26/1250171026.db2.gz VGGAKFDTKJKDSX-CQSZACIVSA-N -1 3 341.249 2.061 20 10 EECDHM CCCCN1CC[C@@]2(CC[N@H+](Cc3ccc(C(=O)[O-])cc3[O-])C2)C1=O ZINC001273706172 1283724967 /nfs/dbraw/zinc/72/49/67/1283724967.db2.gz CHEQMPWWFBQJJX-LJQANCHMSA-N -1 3 346.427 2.315 20 10 EECDHM CCCCN1CC[C@@]2(CC[N@@H+](Cc3ccc(C(=O)[O-])cc3[O-])C2)C1=O ZINC001273706172 1283724977 /nfs/dbraw/zinc/72/49/77/1283724977.db2.gz CHEQMPWWFBQJJX-LJQANCHMSA-N -1 3 346.427 2.315 20 10 EECDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1ncc(F)cn1 ZINC001197213860 1284502080 /nfs/dbraw/zinc/50/20/80/1284502080.db2.gz JXNQRHUTXLXLPX-UHFFFAOYSA-N -1 3 332.722 2.453 20 10 EECDHM COc1cc([O-])c(CN2Cc3cnn(C)c3C2)cc1Br ZINC001233140271 1304373134 /nfs/dbraw/zinc/37/31/34/1304373134.db2.gz CBLJYCHZQFPZML-UHFFFAOYSA-N -1 3 338.205 2.413 20 10 EECDHM COC(=O)[C@@H]1CN(Cc2cc(Cl)c(C(C)(C)C)cc2[O-])CCN1 ZINC001235443366 1305233044 /nfs/dbraw/zinc/23/30/44/1305233044.db2.gz OBEQKBHIDQBPDL-AWEZNQCLSA-N -1 3 340.851 2.290 20 10 EECDHM CS(=O)(=O)n1cc2c(n1)CN(Cc1cc3ccccc3cc1[O-])C2 ZINC001236834937 1305692682 /nfs/dbraw/zinc/69/26/82/1305692682.db2.gz FCOWNSROAQZQDF-UHFFFAOYSA-N -1 3 343.408 2.065 20 10 EECDHM CC(=O)N(C)C1CN(Cc2cc(Br)c(C)cc2[O-])C1 ZINC001237678037 1306043162 /nfs/dbraw/zinc/04/31/62/1306043162.db2.gz HUHLDWCVPRFNIP-UHFFFAOYSA-N -1 3 327.222 2.126 20 10 EECDHM O=C1CC2(CCN(Cc3cc(F)cc(Cl)c3[O-])CC2)CC(=O)N1 ZINC001237806054 1306104254 /nfs/dbraw/zinc/10/42/54/1306104254.db2.gz QNVKTAXEAPOSBR-UHFFFAOYSA-N -1 3 340.782 2.204 20 10 EECDHM COC[C@H]1c2nnn(CC3CC3)c2CCN1Cc1cc(F)ccc1[O-] ZINC001140063247 1314806826 /nfs/dbraw/zinc/80/68/26/1314806826.db2.gz OJYNDTKASSLQDN-INIZCTEOSA-N -1 3 346.406 2.279 20 10 EECDHM COC(=O)[C@@H]1COCCC12CN(Cc1c([O-])cccc1Cl)C2 ZINC001140341677 1314871013 /nfs/dbraw/zinc/87/10/13/1314871013.db2.gz BMPCNJLBPKIXHM-LBPRGKRZSA-N -1 3 325.792 2.057 20 10 EECDHM CC(=O)N1CCC2(CC1)CN(Cc1ccc(Cl)cc1[O-])CCO2 ZINC001140466324 1314892627 /nfs/dbraw/zinc/89/26/27/1314892627.db2.gz BIOBKDPDNRYQMI-UHFFFAOYSA-N -1 3 338.835 2.259 20 10 EECDHM O=C(c1ccco1)N1C[C@H]2CN(Cc3c([O-])cc(F)cc3F)C[C@H]2C1 ZINC001140581567 1314909188 /nfs/dbraw/zinc/90/91/88/1314909188.db2.gz ZEPDWQQJGKVXDG-TXEJJXNPSA-N -1 3 348.349 2.467 20 10 EECDHM Cc1cc(CN2CC(N3CC(F)C3)C2)c([O-])cc1Br ZINC001250120266 1317215912 /nfs/dbraw/zinc/21/59/12/1317215912.db2.gz AEDZHUCYNNTPCG-UHFFFAOYSA-N -1 3 329.213 2.301 20 10 EECDHM COC(=O)[C@@H]1C[C@H](F)CN1Cc1cc(Br)ccc1[O-] ZINC001203635975 1321929404 /nfs/dbraw/zinc/92/94/04/1321929404.db2.gz LNAJTUOUYZBQQT-QWRGUYRKSA-N -1 3 332.169 2.240 20 10 EECDHM CCOC(=O)[C@H]1CCN(Cc2cc(Cl)ccc2[O-])CCC1=O ZINC001203657741 1321934412 /nfs/dbraw/zinc/93/44/12/1321934412.db2.gz MWYPXDWNORYMLB-ZDUSSCGKSA-N -1 3 325.792 2.390 20 10 EECDHM COc1ccc(O)c([C@@H](C)NC(=O)CCc2c(C)nc[n-]c2=O)c1 ZINC001318319894 1332509001 /nfs/dbraw/zinc/50/90/01/1332509001.db2.gz ANUATKKCKWMZQE-LLVKDONJSA-N -1 3 331.372 2.015 20 10 EECDHM COc1ccc(O)c([C@H](C)NC(=O)CCc2c(C)nc[n-]c2=O)c1 ZINC001318319896 1332509068 /nfs/dbraw/zinc/50/90/68/1332509068.db2.gz ANUATKKCKWMZQE-NSHDSACASA-N -1 3 331.372 2.015 20 10 EECDHM C[C@H](NC(=O)NCc1ccccc1O)c1ccc(-c2nnn[n-]2)cc1 ZINC001609120794 1351850861 /nfs/dbraw/zinc/85/08/61/1351850861.db2.gz UMDUPMUBPHXZEZ-NSHDSACASA-N -1 3 338.371 2.133 20 10 EECDHM C[C@H](NC(=O)NCc1ccccc1O)c1ccc(-c2nn[n-]n2)cc1 ZINC001609120794 1351850865 /nfs/dbraw/zinc/85/08/65/1351850865.db2.gz UMDUPMUBPHXZEZ-NSHDSACASA-N -1 3 338.371 2.133 20 10 EECDHM COc1cc(Br)cc(C[N@H+](C)C(C)(C)C(=O)[O-])c1[O-] ZINC001610279641 1352198752 /nfs/dbraw/zinc/19/87/52/1352198752.db2.gz JOIWVWWGODMMIS-UHFFFAOYSA-N -1 3 332.194 2.458 20 10 EECDHM COc1cc(Br)cc(C[N@@H+](C)C(C)(C)C(=O)[O-])c1[O-] ZINC001610279641 1352198753 /nfs/dbraw/zinc/19/87/53/1352198753.db2.gz JOIWVWWGODMMIS-UHFFFAOYSA-N -1 3 332.194 2.458 20 10 EECDHM CC(C)C[C@@H](CCO)C[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589551607 1349003597 /nfs/dbraw/zinc/00/35/97/1349003597.db2.gz ATICVAGSBWASFG-CHWSQXEVSA-N -1 3 333.436 2.268 20 10 EECDHM CC(C)[C@@H](O)C1(C[NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2[O-])CC1 ZINC001589978986 1349090787 /nfs/dbraw/zinc/09/07/87/1349090787.db2.gz UDGQTATZSWDIAZ-XHDPSFHLSA-N -1 3 331.420 2.020 20 10 EECDHM C[C@@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001604326117 1350915807 /nfs/dbraw/zinc/91/58/07/1350915807.db2.gz GLJSGGMGZFINQX-OCCSQVGLSA-N -1 3 344.415 2.144 20 10 EECDHM COc1ccc([C@@H](NCc2cccc(OC)c2O)C(=O)[O-])c(OC)c1 ZINC001607235251 1351455746 /nfs/dbraw/zinc/45/57/46/1351455746.db2.gz UCCSNUVFDPGOFH-MRXNPFEDSA-N -1 3 347.367 2.334 20 10 EECDHM [O-]c1c(I)cccc1CN1CCCC[C@@H]1CO ZINC001237787520 782808254 /nfs/dbraw/zinc/80/82/54/782808254.db2.gz TVMXLHLKDLFBJN-LLVKDONJSA-N -1 3 347.196 2.344 20 10 EECDHM CN(Cc1cc(F)cc(F)c1[O-])[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000894054258 780471452 /nfs/dbraw/zinc/47/14/52/780471452.db2.gz KIXOJYOJFCGBMI-KGLIPLIRSA-N -1 3 333.400 2.458 20 10 EECDHM C[C@@H](C(=O)N(CC(=O)[O-])Cc1ccccc1O)N1CCCCCC1 ZINC000911489095 787484913 /nfs/dbraw/zinc/48/49/13/787484913.db2.gz PERTYFMESMDMQU-AWEZNQCLSA-N -1 3 334.416 2.070 20 10 EECDHM CCOC(=O)[C@H]1CN(Cc2cc(Cl)c(F)cc2[O-])CC12COC2 ZINC000824489188 788188611 /nfs/dbraw/zinc/18/86/11/788188611.db2.gz FCAAGYWKTVQTFP-LLVKDONJSA-N -1 3 343.782 2.196 20 10 EECDHM O=C1[N-]C(=O)C(=CNCc2ccc(N3CC=CC3)cc2)c2ccccc21 ZINC000150834854 788288533 /nfs/dbraw/zinc/28/85/33/788288533.db2.gz AOJLFGIVZIBFMP-XMHGGMMESA-N -1 3 345.402 2.464 20 10 EECDHM COC(=O)[C@H]1CN(Cc2c3c(ccc2[O-])oc2c3CCCC2)CCO1 ZINC000103134634 803660299 /nfs/dbraw/zinc/66/02/99/803660299.db2.gz GJZOVGPUBLDILM-QGZVFWFLSA-N -1 3 345.395 2.391 20 10 EECDHM CCOC(=O)N1CCC[C@H]([C@H](C)NC(=O)c2cccc(O)c2[O-])C1 ZINC000790944639 808998289 /nfs/dbraw/zinc/99/82/89/808998289.db2.gz CNLXATWNAKAQFW-RYUDHWBXSA-N -1 3 336.388 2.085 20 10 EECDHM CCOC(=O)N1CCC([C@@H](C)NC(=O)c2cccc(O)c2[O-])CC1 ZINC000790942751 808998343 /nfs/dbraw/zinc/99/83/43/808998343.db2.gz CJHLXJVIWLSLEC-LLVKDONJSA-N -1 3 336.388 2.085 20 10 EECDHM O=C(NC1CC1)N[C@@H]1CCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792175080 809638749 /nfs/dbraw/zinc/63/87/49/809638749.db2.gz MVGVZIHCLDZUIX-SNVBAGLBSA-N -1 3 327.787 2.221 20 10 EECDHM O=C(Nc1ccc(F)c(N2CCCNC2=O)c1)c1cccc(O)c1[O-] ZINC000807820372 812343780 /nfs/dbraw/zinc/34/37/80/812343780.db2.gz ULZHDTVWJJTBGD-UHFFFAOYSA-N -1 3 345.330 2.409 20 10 EECDHM CCOc1ccc(C[N@@H+]2CCC[C@@](O)(C3(C(=O)[O-])CCC3)C2)c([O-])c1 ZINC001597102379 986730243 /nfs/dbraw/zinc/73/02/43/986730243.db2.gz YSIFPDZDBHCXMR-IBGZPJMESA-N -1 3 349.427 2.373 20 10 EECDHM CCOc1ccc(C[N@H+]2CCC[C@@](O)(C3(C(=O)[O-])CCC3)C2)c([O-])c1 ZINC001597102379 986730250 /nfs/dbraw/zinc/73/02/50/986730250.db2.gz YSIFPDZDBHCXMR-IBGZPJMESA-N -1 3 349.427 2.373 20 10 EECDHM C[C@H]([NH2+][C@@H]1CCCN2CCSC[C@H]12)c1cc(C(=O)[O-])ccc1[O-] ZINC001593219077 994295637 /nfs/dbraw/zinc/29/56/37/994295637.db2.gz MBEWVUCWMPPZIM-NILFDRSVSA-N -1 3 336.457 2.321 20 10 EECDHM C[C@H]([NH2+]C[C@@H]1CC2(CO1)CCOCC2)c1cc(C(=O)[O-])ccc1[O-] ZINC001593252554 994507697 /nfs/dbraw/zinc/50/76/97/994507697.db2.gz SQJLWHYKIWYJRE-JSGCOSHPSA-N -1 3 335.400 2.327 20 10 EECDHM CC1(C)CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])[C@H]1C1CC1 ZINC000291966524 278320628 /nfs/dbraw/zinc/32/06/28/278320628.db2.gz SIKAVGYAMSTBMI-AWEZNQCLSA-N -1 3 338.429 2.024 20 10 EECDHM COc1c([O-])c(CNc2cnn(CC(F)F)c2)ccc1[N+](=O)[O-] ZINC000278611580 463972287 /nfs/dbraw/zinc/97/22/87/463972287.db2.gz DSCRGUQEMGHBEF-UHFFFAOYSA-N -1 3 328.275 2.383 20 10 EECDHM Cc1ccc(C(=O)N2CCC[C@](O)(C(F)(F)F)CC2)c([O-])c1O ZINC000287858632 464022314 /nfs/dbraw/zinc/02/23/14/464022314.db2.gz MSTRDCAFBBGMHD-CQSZACIVSA-N -1 3 333.306 2.326 20 10 EECDHM O=C(CC1CCCCC1)N1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000187058332 464094801 /nfs/dbraw/zinc/09/48/01/464094801.db2.gz RBZUDMAHDSMYNN-UHFFFAOYSA-N -1 3 346.427 2.353 20 10 EECDHM O=C(N[C@@H](CN1CCCC1=O)c1ccccc1)c1cccc(O)c1[O-] ZINC000188280941 464242620 /nfs/dbraw/zinc/24/26/20/464242620.db2.gz MYBJYSHSBOPSEQ-HNNXBMFYSA-N -1 3 340.379 2.191 20 10 EECDHM CC[S@@](=O)[C@@H]1CCC[C@H](NC(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000182566489 464685342 /nfs/dbraw/zinc/68/53/42/464685342.db2.gz POWIIGLWXBSUME-DRONIGIMSA-N -1 3 325.430 2.216 20 10 EECDHM Cc1ccc(C(=O)N[C@H](C)c2ccc3c(c2)CC(=O)N3C)c([O-])c1O ZINC000272884162 464693478 /nfs/dbraw/zinc/69/34/78/464693478.db2.gz YGNLKPREWKBYNX-LLVKDONJSA-N -1 3 340.379 2.416 20 10 EECDHM CN(C)C(=O)O[C@@H]1CCN(Cc2cc(Br)ccc2[O-])C1 ZINC000295092605 464701645 /nfs/dbraw/zinc/70/16/45/464701645.db2.gz JLBJEQNOUXZOPE-GFCCVEGCSA-N -1 3 343.221 2.427 20 10 EECDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2nnc3n2CCCCC3)c1 ZINC000273435825 464715774 /nfs/dbraw/zinc/71/57/74/464715774.db2.gz XAHKHDIWLKBUSV-LBPRGKRZSA-N -1 3 344.415 2.348 20 10 EECDHM COC(=O)C[C@](C)(NC(=O)c1ccc(C)c(O)c1[O-])c1ccncc1 ZINC000274973642 464761006 /nfs/dbraw/zinc/76/10/06/464761006.db2.gz AQDIYEGMJPWBPF-SFHVURJKSA-N -1 3 344.367 2.010 20 10 EECDHM CCOC(=O)N[C@H]1CCCN(Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000177257162 464970988 /nfs/dbraw/zinc/97/09/88/464970988.db2.gz KEAOESDQHCPOIF-AWEZNQCLSA-N -1 3 338.379 2.444 20 10 EECDHM CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3ccc(O)cc3)ccc21 ZINC000363263669 466317490 /nfs/dbraw/zinc/31/74/90/466317490.db2.gz ZYQXGBPMYPRFOW-UHFFFAOYSA-N -1 3 346.408 2.492 20 10 EECDHM [O-]c1c(F)cc(Cl)cc1CN1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000775676183 577442568 /nfs/dbraw/zinc/44/25/68/577442568.db2.gz NVYVIFVXAZKPKZ-LSDHHAIUSA-N -1 3 328.815 2.216 20 10 EECDHM CCn1cc(S(=O)(=O)[N-]CCCSc2nccs2)nc1C ZINC000767255701 577533207 /nfs/dbraw/zinc/53/32/07/577533207.db2.gz RZDKDTYWTKZNOK-UHFFFAOYSA-N -1 3 346.503 2.129 20 10 EECDHM CC1(C)CC[C@@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000768890953 577565165 /nfs/dbraw/zinc/56/51/65/577565165.db2.gz VFPICIPMRIMJML-LLVKDONJSA-N -1 3 326.418 2.072 20 10 EECDHM CC(=O)c1cc(F)cc(CN(C)CC(=O)NCc2ccccc2)c1[O-] ZINC000750820841 577743169 /nfs/dbraw/zinc/74/31/69/577743169.db2.gz FXLUTHCDGLTNQA-UHFFFAOYSA-N -1 3 344.386 2.482 20 10 EECDHM CCNC(=O)[C@H](C)N[C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000756355687 577842648 /nfs/dbraw/zinc/84/26/48/577842648.db2.gz QTSPTRFMGONMTN-SFYZADRCSA-N -1 3 333.201 2.469 20 10 EECDHM O=C(c1cc([O-])cs1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000743454088 577885641 /nfs/dbraw/zinc/88/56/41/577885641.db2.gz SCOXOZMUMNMUMI-VIFPVBQESA-N -1 3 334.357 2.084 20 10 EECDHM CCN(C(=O)C=Cc1cncc(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367527 607799719 /nfs/dbraw/zinc/79/97/19/607799719.db2.gz RVMZANOFVFIJOF-FPYGCLRLSA-N -1 3 338.346 2.467 20 10 EECDHM CCN(C(=O)C=Cc1cncc(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367527 607799720 /nfs/dbraw/zinc/79/97/20/607799720.db2.gz RVMZANOFVFIJOF-FPYGCLRLSA-N -1 3 338.346 2.467 20 10 EECDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccccc2O)c(Cl)c1 ZINC000319335552 684779934 /nfs/dbraw/zinc/77/99/34/684779934.db2.gz SFNOOWLOUFQDGD-UHFFFAOYSA-N -1 3 342.760 2.432 20 10 EECDHM Cn1c(CCCNC(=O)c2cccc(O)c2[O-])nc2ccccc21 ZINC000185669837 1193270651 /nfs/dbraw/zinc/27/06/51/1193270651.db2.gz OZGROEHROBHWJG-UHFFFAOYSA-N -1 3 325.368 2.347 20 10 EECDHM [O-]c1c(Br)cccc1CN1CCC2(CC1)OCCO2 ZINC000126110806 1199724184 /nfs/dbraw/zinc/72/41/84/1199724184.db2.gz APGGESZGXQUBAX-UHFFFAOYSA-N -1 3 328.206 2.494 20 10 EECDHM O=C(NC[C@H]1CCCN(CC(F)(F)F)C1)c1cccc(O)c1[O-] ZINC000854652488 1292907407 /nfs/dbraw/zinc/90/74/07/1292907407.db2.gz DIXLTEDITRZDOR-SNVBAGLBSA-N -1 3 332.322 2.102 20 10 EECDHM CC[C@@H]1[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])CCC[C@]12CCC(=O)N2C ZINC001231449010 1303799873 /nfs/dbraw/zinc/79/98/73/1303799873.db2.gz CVRHUMYWKFERBL-LPHOPBHVSA-N -1 3 346.427 2.456 20 10 EECDHM CC[C@@H]1[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])CCC[C@]12CCC(=O)N2C ZINC001231449010 1303799875 /nfs/dbraw/zinc/79/98/75/1303799875.db2.gz CVRHUMYWKFERBL-LPHOPBHVSA-N -1 3 346.427 2.456 20 10 EECDHM CCc1nnc(C2CC[NH+](Cc3ccc(C(=O)[O-])cc3[O-])CC2)o1 ZINC001231453281 1303802221 /nfs/dbraw/zinc/80/22/21/1303802221.db2.gz FQWSEAABFQOAFA-UHFFFAOYSA-N -1 3 331.372 2.415 20 10 EECDHM COCCN1CCN(Cc2cc(C)cc(Br)c2[O-])CC1 ZINC000781895441 1303891624 /nfs/dbraw/zinc/89/16/24/1303891624.db2.gz SBXUIWGZHUEDHK-UHFFFAOYSA-N -1 3 343.265 2.227 20 10 EECDHM CN(C)C(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2[O-])CC1 ZINC001233451258 1304469052 /nfs/dbraw/zinc/46/90/52/1304469052.db2.gz DGPYUHZUXFMTCS-UHFFFAOYSA-N -1 3 331.338 2.210 20 10 EECDHM COc1ccc(CN2CCc3ncnc(OC)c3CC2)c([O-])c1Cl ZINC001236802662 1305681702 /nfs/dbraw/zinc/68/17/02/1305681702.db2.gz BQMBVTOXGSZPPY-UHFFFAOYSA-N -1 3 349.818 2.454 20 10 EECDHM [O-]c1ccc(F)cc1CN1CCc2nnc(N3CCCC3)cc2C1 ZINC000828101304 1314446438 /nfs/dbraw/zinc/44/64/38/1314446438.db2.gz WKMMFXXZNZVTFC-UHFFFAOYSA-N -1 3 328.391 2.480 20 10 EECDHM CCn1ccnc1CN1CC2(C1)CN(Cc1cccc(F)c1[O-])C2 ZINC001276537423 1323998906 /nfs/dbraw/zinc/99/89/06/1323998906.db2.gz GWXDCXBBGJPAMZ-UHFFFAOYSA-N -1 3 330.407 2.066 20 10 EECDHM C[C@@H]([NH2+]CCCN1C[C@@H](C)O[C@@H](C)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609872273 1352107959 /nfs/dbraw/zinc/10/79/59/1352107959.db2.gz ABRFEVYPNZZQKH-HZSPNIEDSA-N -1 3 336.432 2.240 20 10 EECDHM C[C@H]([NH2+]CCOCC1CCCC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589961492 1349082031 /nfs/dbraw/zinc/08/20/31/1349082031.db2.gz BYCCGRVFQAUIKI-LBPRGKRZSA-N -1 3 331.420 2.430 20 10 EECDHM COc1ccc(O)c([C@H](C)Nc2ccc(-c3nnn[n-]3)c(C)n2)c1 ZINC001591619177 1349516785 /nfs/dbraw/zinc/51/67/85/1349516785.db2.gz SPJJMZLHWDDVMO-JTQLQIEISA-N -1 3 326.360 2.457 20 10 EECDHM COc1ccc(O)c([C@H](C)Nc2ccc(-c3nn[n-]n3)c(C)n2)c1 ZINC001591619177 1349516796 /nfs/dbraw/zinc/51/67/96/1349516796.db2.gz SPJJMZLHWDDVMO-JTQLQIEISA-N -1 3 326.360 2.457 20 10 EECDHM Cc1ccc([C@@H](O)C[NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2[O-])cc1 ZINC001592196282 1349604085 /nfs/dbraw/zinc/60/40/85/1349604085.db2.gz LMVPDPBRSQQNQH-LRDDRELGSA-N -1 3 339.399 2.265 20 10 EECDHM Cc1nc(NCc2cc(O)ccc2O)c(Cl)cc1-c1nnn[n-]1 ZINC001592395212 1349627042 /nfs/dbraw/zinc/62/70/42/1349627042.db2.gz AYTOLSBRNMUHCT-UHFFFAOYSA-N -1 3 332.751 2.247 20 10 EECDHM Cc1nc(NCc2cc(O)ccc2O)c(Cl)cc1-c1nn[n-]n1 ZINC001592395212 1349627043 /nfs/dbraw/zinc/62/70/43/1349627043.db2.gz AYTOLSBRNMUHCT-UHFFFAOYSA-N -1 3 332.751 2.247 20 10 EECDHM O=C1N=C(N2CCCCC2)SC1=Cc1ccc(-c2nnn[n-]2)cc1 ZINC001593400922 1349797387 /nfs/dbraw/zinc/79/73/87/1349797387.db2.gz APMRWCKSEFAHDX-JLHYYAGUSA-N -1 3 340.412 2.323 20 10 EECDHM O=C1N=C(N2CCCCC2)SC1=Cc1ccc(-c2nn[n-]n2)cc1 ZINC001593400922 1349797391 /nfs/dbraw/zinc/79/73/91/1349797391.db2.gz APMRWCKSEFAHDX-JLHYYAGUSA-N -1 3 340.412 2.323 20 10 EECDHM c1sc(CNCc2ccc(N3CCCC3)cc2)nc1-c1nnn[n-]1 ZINC001593558779 1349848227 /nfs/dbraw/zinc/84/82/27/1349848227.db2.gz HCZJPYWFBCRAFU-UHFFFAOYSA-N -1 3 341.444 2.213 20 10 EECDHM c1sc(CNCc2ccc(N3CCCC3)cc2)nc1-c1nn[n-]n1 ZINC001593558779 1349848238 /nfs/dbraw/zinc/84/82/38/1349848238.db2.gz HCZJPYWFBCRAFU-UHFFFAOYSA-N -1 3 341.444 2.213 20 10 EECDHM C[C@@H]([NH2+]C[C@H]1Cc2ccccc2O1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603655869 1350734858 /nfs/dbraw/zinc/73/48/58/1350734858.db2.gz CFNFYLDHXFXBOB-DGCLKSJQSA-N -1 3 337.383 2.227 20 10 EECDHM CCN(Cc1cccc(I)c1[O-])C1COC1 ZINC001237780427 782778330 /nfs/dbraw/zinc/77/83/30/782778330.db2.gz OGTPHJOWRIUYAQ-UHFFFAOYSA-N -1 3 333.169 2.218 20 10 EECDHM Cc1cc([O-])c(CN2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1Cl ZINC000824521442 788200439 /nfs/dbraw/zinc/20/04/39/788200439.db2.gz FQDYYHOIJNAPAA-INIZCTEOSA-N -1 3 338.835 2.177 20 10 EECDHM O=C1CN(Cc2ccc(Br)cc2[O-])[C@H]2CCCC[C@H]2N1 ZINC000824645803 788254640 /nfs/dbraw/zinc/25/46/40/788254640.db2.gz PXRHMOCPHNLGJF-OLZOCXBDSA-N -1 3 339.233 2.398 20 10 EECDHM O=C(c1cccc(O)c1[O-])N1CC[C@H](N2CCCC2)C(F)(F)C1 ZINC001148218997 792253867 /nfs/dbraw/zinc/25/38/67/792253867.db2.gz QNQPQUSMZMSJFJ-ZDUSSCGKSA-N -1 3 326.343 2.043 20 10 EECDHM COc1cccc2c1SC[C@@H](NC(=O)c1cc(O)c([O-])c(O)c1)C2 ZINC001148591051 792575889 /nfs/dbraw/zinc/57/58/89/792575889.db2.gz SDQBWJNOBCVZKA-NSHDSACASA-N -1 3 347.392 2.259 20 10 EECDHM Cc1cc(S(=O)(=O)[N-]c2cccc(N3CCOCC3)c2)ccc1N ZINC001176017033 798317657 /nfs/dbraw/zinc/31/76/57/798317657.db2.gz BCOUVHBCYWIZDC-UHFFFAOYSA-N -1 3 347.440 2.215 20 10 EECDHM O=C(NCc1cccc(N2CCCC2=O)c1)c1cccc(O)c1[O-] ZINC000186934032 803356082 /nfs/dbraw/zinc/35/60/82/803356082.db2.gz MGFAIWQVEUNPOA-UHFFFAOYSA-N -1 3 326.352 2.155 20 10 EECDHM C[C@H]([NH2+]C[C@H](O)COc1ccc(C(=O)[O-])cc1)c1ccccc1[O-] ZINC001599902372 984862703 /nfs/dbraw/zinc/86/27/03/984862703.db2.gz ZWVZKJOOJVUPRY-JSGCOSHPSA-N -1 3 331.368 2.181 20 10 EECDHM C[C@H]1CN(C(=O)/C=C\c2cncc([O-])c2)c2ccccc2N(C)C1=O ZINC000492443304 290663237 /nfs/dbraw/zinc/66/32/37/290663237.db2.gz PNXDCTQKCOUFDR-WSROAFLRSA-N -1 3 337.379 2.446 20 10 EECDHM O=[N+]([O-])c1cccnc1N1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000296021269 465053297 /nfs/dbraw/zinc/05/32/97/465053297.db2.gz NGZTYSCIJKCRPN-UHFFFAOYSA-N -1 3 332.335 2.157 20 10 EECDHM CC(=O)N(C)C1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000092538316 462961211 /nfs/dbraw/zinc/96/12/11/462961211.db2.gz RIQIVLUMGKFRAY-UHFFFAOYSA-N -1 3 341.795 2.397 20 10 EECDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1ccn[nH]1 ZINC000158024971 463197068 /nfs/dbraw/zinc/19/70/68/463197068.db2.gz KLYKOCDJMXUURJ-CYBMUJFWSA-N -1 3 334.807 2.163 20 10 EECDHM CCCOc1ccc(CN2CCN(C(=O)[C@H]3CCCO3)CC2)c([O-])c1 ZINC000161018037 463391568 /nfs/dbraw/zinc/39/15/68/463391568.db2.gz LCAZXOZUOARMGM-GOSISDBHSA-N -1 3 348.443 2.004 20 10 EECDHM COc1ccc(CN(Cc2ccccc2[O-])C[C@H]2CCCO2)nn1 ZINC000283167728 463788253 /nfs/dbraw/zinc/78/82/53/463788253.db2.gz PHZKARHYFSXGOS-MRXNPFEDSA-N -1 3 329.400 2.372 20 10 EECDHM Cc1ccc(C(=O)N[C@H]2CCCN(C3CCCCC3)C2=O)c([O-])c1O ZINC000277027224 463848086 /nfs/dbraw/zinc/84/80/86/463848086.db2.gz DHPOOOPEALSDSG-HNNXBMFYSA-N -1 3 346.427 2.460 20 10 EECDHM CC(=O)c1cc(Cl)cc(CN(C)CC2(O)CCOCC2)c1[O-] ZINC000186983458 464087895 /nfs/dbraw/zinc/08/78/95/464087895.db2.gz STPIERQJKHKOTK-UHFFFAOYSA-N -1 3 327.808 2.222 20 10 EECDHM COCCNC(=O)[C@H](CC(C)C)N[C@H](C)c1ccc(F)c(F)c1[O-] ZINC000187874318 464170005 /nfs/dbraw/zinc/17/00/05/464170005.db2.gz CBPMAOMAWJOIMY-RISCZKNCSA-N -1 3 344.402 2.498 20 10 EECDHM C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1cc(F)ccc1[O-] ZINC000180000267 464221852 /nfs/dbraw/zinc/22/18/52/464221852.db2.gz VZAOZQDMDPVLPJ-NSHDSACASA-N -1 3 338.404 2.372 20 10 EECDHM CC[C@H]1C(=O)NCCN1Cc1cc(Br)cc(C)c1[O-] ZINC000180036708 464228775 /nfs/dbraw/zinc/22/87/75/464228775.db2.gz XDYFEHAEPLPRAT-LBPRGKRZSA-N -1 3 327.222 2.174 20 10 EECDHM CCCN(Cc1nnc(S(C)(=O)=O)s1)Cc1ccccc1[O-] ZINC000284854517 464366546 /nfs/dbraw/zinc/36/65/46/464366546.db2.gz CXKNVABZCRAMPE-UHFFFAOYSA-N -1 3 341.458 2.059 20 10 EECDHM CC1(C)CCC[C@H]1CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000294159241 464435031 /nfs/dbraw/zinc/43/50/31/464435031.db2.gz MYRLKJWMHDUVCR-NSHDSACASA-N -1 3 340.445 2.320 20 10 EECDHM Cc1ccc(C(=O)NCCc2ccc3c(c2)OCCO3)c([O-])c1O ZINC000272694831 464684274 /nfs/dbraw/zinc/68/42/74/464684274.db2.gz WWYDLDXXWNWOFP-UHFFFAOYSA-N -1 3 329.352 2.150 20 10 EECDHM Cc1ccc(C(=O)N2CCN(CCc3cccs3)CC2)c([O-])c1O ZINC000272884139 464692886 /nfs/dbraw/zinc/69/28/86/464692886.db2.gz YFAJGQFTOPAZRU-UHFFFAOYSA-N -1 3 346.452 2.468 20 10 EECDHM COC[C@]1(C(=O)OC)CCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000295091288 464701902 /nfs/dbraw/zinc/70/19/02/464701902.db2.gz RQYWVYIEKBFGQF-HNNXBMFYSA-N -1 3 331.771 2.196 20 10 EECDHM C[C@H]1CN(Cc2c([O-])ccc3ccccc32)CCN1S(C)(=O)=O ZINC000182961771 464766077 /nfs/dbraw/zinc/76/60/77/464766077.db2.gz PTMQJMUMHGXTSR-ZDUSSCGKSA-N -1 3 334.441 2.011 20 10 EECDHM Cc1cccc(N(CCC(N)=O)C(=O)/C=C\c2cncc([O-])c2)c1 ZINC000254952366 465020282 /nfs/dbraw/zinc/02/02/82/465020282.db2.gz KVUPFFSCZSBDIZ-WAYWQWQTSA-N -1 3 325.368 2.017 20 10 EECDHM COC(=O)N1CCC([C@H](C)NC(=O)c2ccc(C)c(O)c2[O-])CC1 ZINC000777390978 577477872 /nfs/dbraw/zinc/47/78/72/577477872.db2.gz HDHOPCNQHHUWLD-NSHDSACASA-N -1 3 336.388 2.003 20 10 EECDHM [O-]c1ccc(Br)cc1CN1CCC(OCCO)CC1 ZINC000769536753 577580185 /nfs/dbraw/zinc/58/01/85/577580185.db2.gz DYDUTESAHCXDEW-UHFFFAOYSA-N -1 3 330.222 2.128 20 10 EECDHM CCCN(CC(=O)OC(C)(C)C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000758279588 577620770 /nfs/dbraw/zinc/62/07/70/577620770.db2.gz SKZCWCQMVHPOTF-OAHLLOKOSA-N -1 3 337.416 2.372 20 10 EECDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1Cc1ccncc1 ZINC000760922367 577672077 /nfs/dbraw/zinc/67/20/77/577672077.db2.gz ZYMZCSALZLFMBG-UHFFFAOYSA-N -1 3 331.759 2.405 20 10 EECDHM O=C(c1cc([O-])cs1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000743454087 577885654 /nfs/dbraw/zinc/88/56/54/577885654.db2.gz SCOXOZMUMNMUMI-SECBINFHSA-N -1 3 334.357 2.084 20 10 EECDHM Fc1cc(-c2nnn[n-]2)ccc1CNCc1ccc2c(c1)CCO2 ZINC000737639014 578268141 /nfs/dbraw/zinc/26/81/41/578268141.db2.gz MKRYDKYMVXSHFX-UHFFFAOYSA-N -1 3 325.347 2.231 20 10 EECDHM Fc1cc(-c2nn[n-]n2)ccc1CNCc1ccc2c(c1)CCO2 ZINC000737639014 578268142 /nfs/dbraw/zinc/26/81/42/578268142.db2.gz MKRYDKYMVXSHFX-UHFFFAOYSA-N -1 3 325.347 2.231 20 10 EECDHM CCN1C(=O)C(=Cc2ccc(-c3nnn[n-]3)cc2F)SC1=S ZINC000821239675 607453729 /nfs/dbraw/zinc/45/37/29/607453729.db2.gz BXYKVRPGRYZCDS-POHAHGRESA-N -1 3 335.389 2.227 20 10 EECDHM CCN1C(=O)C(=Cc2ccc(-c3nn[n-]n3)cc2F)SC1=S ZINC000821239675 607453731 /nfs/dbraw/zinc/45/37/31/607453731.db2.gz BXYKVRPGRYZCDS-POHAHGRESA-N -1 3 335.389 2.227 20 10 EECDHM COc1cccc(C[N-]S(=O)(=O)c2ccc(F)c(F)c2F)c1O ZINC000161114222 676920808 /nfs/dbraw/zinc/92/08/08/676920808.db2.gz XHSZDCLPFBSATJ-UHFFFAOYSA-N -1 3 347.314 2.297 20 10 EECDHM CC(=O)c1cc(F)cc(CN2CCO[C@@H](c3ccnn3C)C2)c1[O-] ZINC000933535148 1207783635 /nfs/dbraw/zinc/78/36/35/1207783635.db2.gz SETCRLSJVBCWGJ-MRXNPFEDSA-N -1 3 333.363 2.041 20 10 EECDHM CC(C)(C)C(=O)NC[C@@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000193066868 1210711837 /nfs/dbraw/zinc/71/18/37/1210711837.db2.gz GTXUMPRZZNIKEZ-LBPRGKRZSA-N -1 3 334.416 2.112 20 10 EECDHM COc1ccc(O)c([C@@H](C)NC(=O)c2cc(F)cc3n[n-]nc32)c1 ZINC000800518666 1234252709 /nfs/dbraw/zinc/25/27/09/1234252709.db2.gz HCMASRXDDJCKJN-MRVPVSSYSA-N -1 3 330.319 2.302 20 10 EECDHM CCCN(Cc1ccccc1O)C(=O)c1ccc2c(c1)C(=O)[N-]C2=O 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EECDHM COCC(=O)NC1CCN(Cc2cccc(C(F)(F)F)c2[O-])CC1 ZINC001233417967 1304461512 /nfs/dbraw/zinc/46/15/12/1304461512.db2.gz OLIVRRKACJAEQF-UHFFFAOYSA-N -1 3 346.349 2.138 20 10 EECDHM COc1ccc(CN2CCN(C[C@H]3CCCO3)CC2)c([O-])c1Cl ZINC001236812818 1305687807 /nfs/dbraw/zinc/68/78/07/1305687807.db2.gz HWIDEMCRFLZMLC-CQSZACIVSA-N -1 3 340.851 2.351 20 10 EECDHM COCC(=O)NC1CCN(Cc2c([O-])ccc(Cl)c2Cl)CC1 ZINC001237080813 1305789269 /nfs/dbraw/zinc/78/92/69/1305789269.db2.gz FUXHFFXJLXLNQW-UHFFFAOYSA-N -1 3 347.242 2.426 20 10 EECDHM [O-]c1c(F)cccc1CN1C[C@@H](OCc2cccnc2)[C@H]2COC[C@H]21 ZINC001138125503 1314549837 /nfs/dbraw/zinc/54/98/37/1314549837.db2.gz QRLNGQUBOBZLOU-CGTJXYLNSA-N -1 3 344.386 2.342 20 10 EECDHM CCOC[C@H]1CN(Cc2cc(F)ccc2[O-])Cc2nnn(CC)c21 ZINC001140053968 1314805673 /nfs/dbraw/zinc/80/56/73/1314805673.db2.gz HBCQPKWEHRUYNB-CYBMUJFWSA-N -1 3 334.395 2.279 20 10 EECDHM O=C1[C@@H](NCc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@H]2CCCCN12 ZINC000835073527 1314897193 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Cc1cccc(C(=O)NCC[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])c1 ZINC001600511775 1350069894 /nfs/dbraw/zinc/06/98/94/1350069894.db2.gz AJEXLBXWRUTOQI-CYBMUJFWSA-N -1 3 342.395 2.479 20 10 EECDHM O=C([O-])c1ccc2c(c1)CN(Cc1cc3c(cc1O)OC[C@@H]3O)CC2 ZINC001602421676 1350515561 /nfs/dbraw/zinc/51/55/61/1350515561.db2.gz JVKJNWCZIUHPJN-KRWDZBQOSA-N -1 3 341.363 2.075 20 10 EECDHM C[C@H]([NH2+]CC[C@@H]1CCO[C@H](C)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603845479 1350781391 /nfs/dbraw/zinc/78/13/91/1350781391.db2.gz DIWPEPPISVBZDI-FRRDWIJNSA-N -1 3 331.420 2.428 20 10 EECDHM C[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)O1)c1cc(C(=O)[O-])ccc1[O-] ZINC001604337454 1350918989 /nfs/dbraw/zinc/91/89/89/1350918989.db2.gz NKMVABGEBSERBH-GXTWGEPZSA-N -1 3 335.400 2.469 20 10 EECDHM CN(Cc1ccccc1O)c1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001604819003 1351015049 /nfs/dbraw/zinc/01/50/49/1351015049.db2.gz RQTMPIOQCNWBKK-UHFFFAOYSA-N -1 3 326.316 2.117 20 10 EECDHM CN(Cc1ccccc1O)c1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001604819003 1351015053 /nfs/dbraw/zinc/01/50/53/1351015053.db2.gz RQTMPIOQCNWBKK-UHFFFAOYSA-N -1 3 326.316 2.117 20 10 EECDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1NCc1ccccc1O ZINC001607077040 1351407195 /nfs/dbraw/zinc/40/71/95/1351407195.db2.gz GINXRDNHBZGBQY-UHFFFAOYSA-N -1 3 330.279 2.232 20 10 EECDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1NCc1ccccc1O ZINC001607077040 1351407196 /nfs/dbraw/zinc/40/71/96/1351407196.db2.gz GINXRDNHBZGBQY-UHFFFAOYSA-N -1 3 330.279 2.232 20 10 EECDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)c(F)cc1N1Cc2cccc(O)c2C1 ZINC001607077819 1351408078 /nfs/dbraw/zinc/40/80/78/1351408078.db2.gz SLODBNPXTDWWGU-UHFFFAOYSA-N -1 3 342.290 2.140 20 10 EECDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)c(F)cc1N1Cc2cccc(O)c2C1 ZINC001607077819 1351408080 /nfs/dbraw/zinc/40/80/80/1351408080.db2.gz SLODBNPXTDWWGU-UHFFFAOYSA-N -1 3 342.290 2.140 20 10 EECDHM CC(=O)c1cc(Cl)cc(CN2CC[C@H](N3CCOC3=O)C2)c1[O-] ZINC000852434425 1369271229 /nfs/dbraw/zinc/27/12/29/1369271229.db2.gz YZMILGZWMGXLGA-ZDUSSCGKSA-N -1 3 338.791 2.275 20 10 EECDHM Cc1ccc(C(=O)Nc2cnn(CC(=O)OC(C)(C)C)c2)c([O-])c1O ZINC000843922294 788741454 /nfs/dbraw/zinc/74/14/54/788741454.db2.gz FIWKIOHDZSNDFB-UHFFFAOYSA-N -1 3 347.371 2.197 20 10 EECDHM CS(=O)(=O)c1cc(F)c(NC(=O)c2cccc(O)c2[O-])cc1F ZINC001148220139 792254135 /nfs/dbraw/zinc/25/41/35/792254135.db2.gz SLGIXRWPWLUTPZ-UHFFFAOYSA-N -1 3 343.307 2.032 20 10 EECDHM O=C(N[C@H]1Cc2ccc(Cl)cc2NC1=O)c1cccc(O)c1[O-] ZINC001148224372 792260530 /nfs/dbraw/zinc/26/05/30/792260530.db2.gz IUHCPVOJJWDVFJ-LBPRGKRZSA-N -1 3 332.743 2.044 20 10 EECDHM C[C@H](Nc1cccc(C(=O)NCCC(N)=O)c1)c1ccc(F)cc1[O-] ZINC000186444327 795520406 /nfs/dbraw/zinc/52/04/06/795520406.db2.gz LDLPSSMDYIZYKV-NSHDSACASA-N -1 3 345.374 2.310 20 10 EECDHM Cc1cc(N2CCOCC2)ccc1NC(=O)c1cccc(O)c1[O-] ZINC000186907454 803095666 /nfs/dbraw/zinc/09/56/66/803095666.db2.gz KJOGFFXGEGGYDO-UHFFFAOYSA-N -1 3 328.368 2.495 20 10 EECDHM COC(=O)[C@@H]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@H]1C ZINC000787421452 807109147 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Cc1cnccc1OC1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000278734866 463977947 /nfs/dbraw/zinc/97/79/47/463977947.db2.gz SOAAPFPNRZEPKY-UHFFFAOYSA-N -1 3 328.368 2.485 20 10 EECDHM COc1c([O-])c(CNCc2ccc3c(c2)OCCO3)ccc1[N+](=O)[O-] ZINC000278860297 464000234 /nfs/dbraw/zinc/00/02/34/464000234.db2.gz LVVNKVVTIATRIG-UHFFFAOYSA-N -1 3 346.339 2.370 20 10 EECDHM COc1cc(OC)cc(OCCCNC(=O)c2cccc(O)c2[O-])c1 ZINC000279245122 464076528 /nfs/dbraw/zinc/07/65/28/464076528.db2.gz HIXVCEIIAORFRE-UHFFFAOYSA-N -1 3 347.367 2.314 20 10 EECDHM Cc1ccc(C(=O)N2CCC[C@@H](Cc3nccn3C)C2)c([O-])c1O ZINC000179547278 464154978 /nfs/dbraw/zinc/15/49/78/464154978.db2.gz DAAJHTVENLFYBZ-ZDUSSCGKSA-N -1 3 329.400 2.235 20 10 EECDHM C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(Cc3ccccc3[O-])CC2)C1 ZINC000179554308 464156399 /nfs/dbraw/zinc/15/63/99/464156399.db2.gz LIZVYNZSZHLYPV-IRXDYDNUSA-N -1 3 345.487 2.014 20 10 EECDHM COCCn1cc(CN(Cc2ccccc2[O-])C[C@H]2CCCO2)cn1 ZINC000270988472 464273324 /nfs/dbraw/zinc/27/33/24/464273324.db2.gz GZMIBPBNONWZGX-GOSISDBHSA-N -1 3 345.443 2.416 20 10 EECDHM CC(C)[C@@H]1CCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000271326679 464292117 /nfs/dbraw/zinc/29/21/17/464292117.db2.gz ZDVYAXGEUPTSLJ-ZDUSSCGKSA-N -1 3 326.418 2.024 20 10 EECDHM CC[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccncc1 ZINC000271345953 464292302 /nfs/dbraw/zinc/29/23/02/464292302.db2.gz GSIBLRMDJZVMGF-CQSZACIVSA-N -1 3 349.412 2.040 20 10 EECDHM C[C@H]1CN(C(=O)C(C)(C)C)C[C@H](C)N1C(=O)c1cccc(O)c1[O-] ZINC000293756708 464419912 /nfs/dbraw/zinc/41/99/12/464419912.db2.gz TVYBKBFDVKLRCO-RYUDHWBXSA-N -1 3 334.416 2.205 20 10 EECDHM Cc1nc(C)c(S(=O)(=O)[N-]Cc2ccc(N(C)C)cc2)s1 ZINC000175729585 464611427 /nfs/dbraw/zinc/61/14/27/464611427.db2.gz AYFYHQORABUYCL-UHFFFAOYSA-N -1 3 325.459 2.304 20 10 EECDHM COc1cc(Cl)cc(CN2CC[C@@H](NC(=O)NC3CC3)C2)c1[O-] ZINC000273719947 464724616 /nfs/dbraw/zinc/72/46/16/464724616.db2.gz HZENEJKNDLYMBP-CYBMUJFWSA-N -1 3 339.823 2.090 20 10 EECDHM Cc1ccc(C(=O)N2CCC[C@H](N3CCCCC3=O)C2)c([O-])c1O 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EECDHM O=C(NC[C@@]1(O)CCC[C@H](C(F)(F)F)C1)c1cccc(O)c1[O-] ZINC000187796165 1208541945 /nfs/dbraw/zinc/54/19/45/1208541945.db2.gz PUQOHQBYOVHCHM-LKFCYVNXSA-N -1 3 333.306 2.311 20 10 EECDHM O=C(Nc1cc(-c2cccs2)nn1CCO)c1cccc(O)c1[O-] ZINC000193009772 1210687992 /nfs/dbraw/zinc/68/79/92/1210687992.db2.gz OOZSOLUQQILQMI-UHFFFAOYSA-N -1 3 345.380 2.267 20 10 EECDHM Cn1ccc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])cc1=O ZINC001189647270 1280436396 /nfs/dbraw/zinc/43/63/96/1280436396.db2.gz DPPYQRUIIBEKND-UHFFFAOYSA-N -1 3 343.770 2.223 20 10 EECDHM CON(C)C(=O)c1ccc(-c2noc(-c3cccc(O)c3[O-])n2)cc1 ZINC001215145965 1296736883 /nfs/dbraw/zinc/73/68/83/1296736883.db2.gz UYHZRHAGJRWDFA-UHFFFAOYSA-N -1 3 341.323 2.448 20 10 EECDHM CC[C@@H](Oc1cccc2c1C(=O)c1cccc([O-])c1C2=O)C(=O)OC ZINC001229191831 1302662126 /nfs/dbraw/zinc/66/21/26/1302662126.db2.gz DUAVABIZGATSGM-CYBMUJFWSA-N -1 3 340.331 2.498 20 10 EECDHM O=C([O-])c1ccc(CN2CCc3cc4c(cc3C2)OCO4)c(O)c1 ZINC001231446967 1303798853 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ZINC000436570540 694370665 /nfs/dbraw/zinc/37/06/65/694370665.db2.gz ADTTXRAKGPZQGT-UHFFFAOYSA-N -1 3 342.351 2.226 20 10 EECDHM CON(C)C(=O)[C@H](CCSC)N[C@@H](C)c1c([O-])cccc1F ZINC000886551205 1202521644 /nfs/dbraw/zinc/52/16/44/1202521644.db2.gz DLWSJRUXHLKEBP-JQWIXIFHSA-N -1 3 330.425 2.323 20 10 EECDHM O=c1cccc(CN2CC3(C2)CN(Cc2ccc(Cl)cc2[O-])C3)[nH]1 ZINC001275272567 1205296014 /nfs/dbraw/zinc/29/60/14/1205296014.db2.gz VNAWWKWSVSXLHZ-UHFFFAOYSA-N -1 3 345.830 2.464 20 10 EECDHM COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000803652445 1241146702 /nfs/dbraw/zinc/14/67/02/1241146702.db2.gz HMYPJSYNQRGYPH-IUODEOHRSA-N -1 3 343.379 2.248 20 10 EECDHM O=C1CC[C@H]2CN(Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])CC[C@H]2N1 ZINC000827141777 1250252877 /nfs/dbraw/zinc/25/28/77/1250252877.db2.gz XCQZEYHGDFLDHF-JOYOIKCWSA-N -1 3 339.779 2.054 20 10 EECDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1ccnc(CO)c1 ZINC001196247532 1283958715 /nfs/dbraw/zinc/95/87/15/1283958715.db2.gz PERSONXKXKSRCM-UHFFFAOYSA-N -1 3 343.770 2.411 20 10 EECDHM [O-]c1ccc(-c2nc(-c3ccccn3)no2)cc1CN1CCOCC1 ZINC001217056635 1297353904 /nfs/dbraw/zinc/35/39/04/1297353904.db2.gz NHMNPZUOUWCQMC-UHFFFAOYSA-N -1 3 338.367 2.336 20 10 EECDHM COC[C@@H]1c2nnn(C)c2CCN1Cc1ccc2ccccc2c1[O-] ZINC001231878411 1303935992 /nfs/dbraw/zinc/93/59/92/1303935992.db2.gz JQVAUKOGEAGDSC-QGZVFWFLSA-N -1 3 338.411 2.420 20 10 EECDHM O=C1NCC2(CCN(Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])CC2)O1 ZINC000783721729 1304337673 /nfs/dbraw/zinc/33/76/73/1304337673.db2.gz LNFGIYSOJKRLNV-UHFFFAOYSA-N -1 3 341.751 2.028 20 10 EECDHM [O-]c1ccc(F)c(F)c1CN1CCN(Cc2ccccc2)[C@H](CO)C1 ZINC001233332123 1304435449 /nfs/dbraw/zinc/43/54/49/1304435449.db2.gz ZMLMGEPTEWEFKJ-HNNXBMFYSA-N -1 3 348.393 2.349 20 10 EECDHM C[C@@H]1CN(Cc2cccc(I)c2[O-])CC[C@@H]1O ZINC001237778483 1306088281 /nfs/dbraw/zinc/08/82/81/1306088281.db2.gz WLHLIYZHVRYAKP-SKDRFNHKSA-N -1 3 347.196 2.200 20 10 EECDHM CC(=O)[C@@H]1CCN(Cc2cccc(I)c2[O-])C1 ZINC001237781898 1306089263 /nfs/dbraw/zinc/08/92/63/1306089263.db2.gz BJOAFZBKOZZNBS-SNVBAGLBSA-N -1 3 345.180 2.408 20 10 EECDHM CN(C)C(=O)[C@H]1CC12CN(Cc1c([O-])cccc1Br)C2 ZINC001278279567 1308955165 /nfs/dbraw/zinc/95/51/65/1308955165.db2.gz YKJJOYNCCXJMLN-LLVKDONJSA-N -1 3 339.233 2.065 20 10 EECDHM Cc1ccoc1C(=O)NCCC[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001610537299 1352241125 /nfs/dbraw/zinc/24/11/25/1352241125.db2.gz LSNNAKHOTBSTTN-GFCCVEGCSA-N -1 3 346.383 2.463 20 10 EECDHM CC[C@H]([NH2+]C[C@H]1CCC[C@H]1OC)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604053101 1350840359 /nfs/dbraw/zinc/84/03/59/1350840359.db2.gz BKSCLFCIEQETNZ-BYCMXARLSA-N -1 3 331.420 2.428 20 10 EECDHM Cc1ncsc1C=CC(=O)N(C)c1ccccc1-c1nnn[n-]1 ZINC001606103638 1351271495 /nfs/dbraw/zinc/27/14/95/1351271495.db2.gz PAWYKNVJPZSBFP-BQYQJAHWSA-N -1 3 326.385 2.308 20 10 EECDHM Cc1ncsc1C=CC(=O)N(C)c1ccccc1-c1nn[n-]n1 ZINC001606103638 1351271496 /nfs/dbraw/zinc/27/14/96/1351271496.db2.gz PAWYKNVJPZSBFP-BQYQJAHWSA-N -1 3 326.385 2.308 20 10 EECDHM COc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H](C)c1ccccc1O ZINC001591482667 1403918459 /nfs/dbraw/zinc/91/84/59/1403918459.db2.gz SKNSXZVWCJNWFE-JTQLQIEISA-N -1 3 339.355 2.072 20 10 EECDHM COc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H](C)c1ccccc1O ZINC001591482667 1403918461 /nfs/dbraw/zinc/91/84/61/1403918461.db2.gz SKNSXZVWCJNWFE-JTQLQIEISA-N -1 3 339.355 2.072 20 10 EECDHM O=C(NCCCCNOCc1ccccc1)c1cccc(O)c1[O-] ZINC000308388462 1409807938 /nfs/dbraw/zinc/80/79/38/1409807938.db2.gz UHEBDRJXTXWORM-UHFFFAOYSA-N -1 3 330.384 2.329 20 10 EECDHM O=C(NCCc1cnc2cc[nH]cc1-2)c1cc(=O)n(-c2ccccc2)[n-]1 ZINC001147893093 792011970 /nfs/dbraw/zinc/01/19/70/792011970.db2.gz JVWDCYWEWXBXOB-UHFFFAOYSA-N -1 3 347.378 2.015 20 10 EECDHM O=C(NCCc1c[nH]c2ccncc12)c1cc(=O)n(-c2ccccc2)[n-]1 ZINC001147893093 792011987 /nfs/dbraw/zinc/01/19/87/792011987.db2.gz JVWDCYWEWXBXOB-UHFFFAOYSA-N -1 3 347.378 2.015 20 10 EECDHM O=C(Nc1ccccc1CN1CCCC1=O)c1cccc(O)c1[O-] ZINC001148218670 792252325 /nfs/dbraw/zinc/25/23/25/792252325.db2.gz GCJDAKKTKJEJKQ-UHFFFAOYSA-N -1 3 326.352 2.473 20 10 EECDHM COc1nc(NC(=O)c2cc(O)c([O-])c(O)c2)cc2cccnc21 ZINC001148582127 792567455 /nfs/dbraw/zinc/56/74/55/792567455.db2.gz XWIPGWRADVGSRO-UHFFFAOYSA-N -1 3 327.296 2.008 20 10 EECDHM O=C(NCc1cccc(-c2c[nH]cn2)c1)c1cc(O)c([O-])c(O)c1 ZINC001148590804 792575323 /nfs/dbraw/zinc/57/53/23/792575323.db2.gz QKGOAYNAKQPEGK-UHFFFAOYSA-N -1 3 325.324 2.124 20 10 EECDHM COC(=O)[C@H]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@H]1C ZINC000787421454 807108599 /nfs/dbraw/zinc/10/85/99/807108599.db2.gz RCAMGUYXWPBPIA-KWQFWETISA-N -1 3 328.752 2.337 20 10 EECDHM CC(C)(C(=O)NCc1ccccc1O)c1ccc(-c2nnn[n-]2)cc1 ZINC001573782946 949136563 /nfs/dbraw/zinc/13/65/63/949136563.db2.gz OGIOAEWUZMAWTM-UHFFFAOYSA-N -1 3 337.383 2.166 20 10 EECDHM CC(C)(C(=O)NCc1ccccc1O)c1ccc(-c2nn[n-]n2)cc1 ZINC001573782946 949136572 /nfs/dbraw/zinc/13/65/72/949136572.db2.gz OGIOAEWUZMAWTM-UHFFFAOYSA-N -1 3 337.383 2.166 20 10 EECDHM O=C([O-])[C@@H](NCc1ccc2c(c1)CCO2)c1ccc2c(c1)CCO2 ZINC000901531079 980359830 /nfs/dbraw/zinc/35/98/30/980359830.db2.gz SVWKGCOSHMWSDO-SFHVURJKSA-N -1 3 325.364 2.472 20 10 EECDHM CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])[C@]12CCCO2 ZINC001596832884 985466188 /nfs/dbraw/zinc/46/61/88/985466188.db2.gz JOFYESZGFMFFDK-YJXLDUANSA-N -1 3 335.400 2.468 20 10 EECDHM CC(C)C(=O)N1CCC([NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])CC1 ZINC001590931698 990944298 /nfs/dbraw/zinc/94/42/98/990944298.db2.gz PHVDTNRATWIOKZ-GFCCVEGCSA-N -1 3 334.416 2.388 20 10 EECDHM CN(C)c1ccc([C@H](CNCc2ncc(C(=O)[O-])s2)N(C)C)cc1 ZINC001598313731 991292167 /nfs/dbraw/zinc/29/21/67/991292167.db2.gz WUTBRBKZANKSBE-AWEZNQCLSA-N -1 3 348.472 2.300 20 10 EECDHM O=C1CN(Cc2cc(Br)ccc2[O-])[C@H]2CCCC[C@@H]2N1 ZINC000092676438 237043901 /nfs/dbraw/zinc/04/39/01/237043901.db2.gz ZWBVECIJTNULRA-STQMWFEESA-N -1 3 339.233 2.398 20 10 EECDHM C[C@H]1CCC[C@H](N(C)C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000093939783 237054142 /nfs/dbraw/zinc/05/41/42/237054142.db2.gz IZHCNBRJSBQKEY-AAEUAGOBSA-N -1 3 340.445 2.414 20 10 EECDHM C[C@@H]1CN(Cc2cc(Br)ccc2[O-])CCS(=O)(=O)C1 ZINC000192068633 237290577 /nfs/dbraw/zinc/29/05/77/237290577.db2.gz XFOGFVOYHJRRJB-SNVBAGLBSA-N -1 3 348.262 2.021 20 10 EECDHM O=C(N[C@@H]1CCCN(Cc2ccccc2)C1=O)c1cccc(O)c1[O-] ZINC000193149749 237372245 /nfs/dbraw/zinc/37/22/45/237372245.db2.gz FFFHQMXVWHJLND-OAHLLOKOSA-N -1 3 340.379 2.019 20 10 EECDHM CCN(Cc1cc(Br)ccc1[O-])[C@@H]1CCN(C)C1=O ZINC000076118444 462811055 /nfs/dbraw/zinc/81/10/55/462811055.db2.gz LYALUDVQMIDIGX-GFCCVEGCSA-N -1 3 327.222 2.207 20 10 EECDHM O=C(CN(Cc1ccccc1[O-])C[C@H]1CCCO1)NCC(F)(F)F ZINC000070976351 463399161 /nfs/dbraw/zinc/39/91/61/463399161.db2.gz HZHGHUJLVCQAMY-CYBMUJFWSA-N -1 3 346.349 2.052 20 10 EECDHM COC[C@@H](C)CN1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277865966 463933787 /nfs/dbraw/zinc/93/37/87/463933787.db2.gz OFHHSDQLHGWRIN-JTQLQIEISA-N -1 3 326.780 2.092 20 10 EECDHM CC[C@H]1CN(Cc2cc(F)cc(C(C)=O)c2[O-])C[C@@H](C)S1(=O)=O ZINC000287606257 463942726 /nfs/dbraw/zinc/94/27/26/463942726.db2.gz YZRBKCHKXNQVCG-YGRLFVJLSA-N -1 3 343.420 2.131 20 10 EECDHM COc1ccc(CNCc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1O ZINC000278565230 463971404 /nfs/dbraw/zinc/97/14/04/463971404.db2.gz BTZFKVHICLAGOH-UHFFFAOYSA-N -1 3 334.328 2.313 20 10 EECDHM CN(C(=O)c1cccc(O)c1[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000279064841 464031792 /nfs/dbraw/zinc/03/17/92/464031792.db2.gz CIPSSFFXAWZDTK-NSHDSACASA-N -1 3 336.388 2.179 20 10 EECDHM COc1c([O-])c(CN2CCCN(CC(F)F)CC2)ccc1[N+](=O)[O-] ZINC000290658072 464128332 /nfs/dbraw/zinc/12/83/32/464128332.db2.gz ZLNMPBIOXHVGSZ-UHFFFAOYSA-N -1 3 345.346 2.082 20 10 EECDHM Cc1cc(Br)cc(CN2CCCN(C(N)=O)CC2)c1[O-] ZINC000179944130 464212477 /nfs/dbraw/zinc/21/24/77/464212477.db2.gz MXSYJCNVCVTIIZ-UHFFFAOYSA-N -1 3 342.237 2.050 20 10 EECDHM CN1CCN(c2ccc(CNCc3c([O-])cccc3Cl)cn2)CC1 ZINC000264977614 464505922 /nfs/dbraw/zinc/50/59/22/464505922.db2.gz SQEITVMRVDSXTH-UHFFFAOYSA-N -1 3 346.862 2.482 20 10 EECDHM Cc1cc(Br)cc(CN2CC[C@@H](S(C)(=O)=O)C2)c1[O-] ZINC000282815025 464959749 /nfs/dbraw/zinc/95/97/49/464959749.db2.gz SXNZUUSYYZGYIP-GFCCVEGCSA-N -1 3 348.262 2.082 20 10 EECDHM COc1cc(Cl)cc(CN2CCN(c3cnccn3)CC2)c1[O-] ZINC000184680097 465017587 /nfs/dbraw/zinc/01/75/87/465017587.db2.gz JDYPTSPFYHUSRO-UHFFFAOYSA-N -1 3 334.807 2.166 20 10 EECDHM COc1cc(F)c(S(=O)(=O)[N-]Cc2ccccc2O)cc1OC ZINC000751149360 576497301 /nfs/dbraw/zinc/49/73/01/576497301.db2.gz TVWLFWJEVJLBDN-UHFFFAOYSA-N -1 3 341.360 2.027 20 10 EECDHM C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)c1cc([O-])cs1 ZINC000731909873 577132626 /nfs/dbraw/zinc/13/26/26/577132626.db2.gz LTMMXVCPLMUPMR-ONGXEEELSA-N -1 3 340.401 2.015 20 10 EECDHM O=C(OCCCS(=O)(=O)c1ccccc1)c1cc([O-])cs1 ZINC000732353746 577174815 /nfs/dbraw/zinc/17/48/15/577174815.db2.gz UGNHPEKPJVOBSJ-UHFFFAOYSA-N -1 3 326.395 2.475 20 10 EECDHM COc1ccc([O-])c(C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])c1 ZINC000775015519 577426478 /nfs/dbraw/zinc/42/64/78/577426478.db2.gz GXSRQSZNIATILK-UHFFFAOYSA-N -1 3 334.328 2.313 20 10 EECDHM [O-]c1c(F)cc(Cl)cc1CN1CC[C@@H](CN2CCOCC2)C1 ZINC000775717369 577443650 /nfs/dbraw/zinc/44/36/50/577443650.db2.gz DJIASMPTHCSCAJ-LBPRGKRZSA-N -1 3 328.815 2.339 20 10 EECDHM CCOc1ccc(CN2CCN(Cc3cc(C)on3)CC2)c([O-])c1 ZINC000768202944 577552038 /nfs/dbraw/zinc/55/20/38/577552038.db2.gz DFNULBARJDZNOS-UHFFFAOYSA-N -1 3 331.416 2.405 20 10 EECDHM Cn1cccc1C(=O)N1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000768221051 577552335 /nfs/dbraw/zinc/55/23/35/577552335.db2.gz XZUXXHPTUBONEH-UHFFFAOYSA-N -1 3 333.819 2.342 20 10 EECDHM O=S(=O)([N-]Cc1ccccc1O)c1ccc(C(F)(F)F)cn1 ZINC000751149203 577748584 /nfs/dbraw/zinc/74/85/84/577748584.db2.gz NQSVRBWTYTXQQR-UHFFFAOYSA-N -1 3 332.303 2.285 20 10 EECDHM COc1ccc(O)c(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000737108288 578238409 /nfs/dbraw/zinc/23/84/09/578238409.db2.gz JUXVJQCVKFXWEF-UHFFFAOYSA-N -1 3 342.315 2.101 20 10 EECDHM COc1ccc(O)c(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000737108288 578238410 /nfs/dbraw/zinc/23/84/10/578238410.db2.gz JUXVJQCVKFXWEF-UHFFFAOYSA-N -1 3 342.315 2.101 20 10 EECDHM COc1cccc(CNc2nc3c(cc2-c2nnn[n-]2)CCC3)c1O ZINC000737132619 578240021 /nfs/dbraw/zinc/24/00/21/578240021.db2.gz NJLDIIHKOJWRII-UHFFFAOYSA-N -1 3 338.371 2.077 20 10 EECDHM COc1cccc(CNc2nc3c(cc2-c2nn[n-]n2)CCC3)c1O ZINC000737132619 578240022 /nfs/dbraw/zinc/24/00/22/578240022.db2.gz NJLDIIHKOJWRII-UHFFFAOYSA-N -1 3 338.371 2.077 20 10 EECDHM Cc1cc(N(C)C)ccc1CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737269259 578247147 /nfs/dbraw/zinc/24/71/47/578247147.db2.gz APNGQAJMNRVFIW-UHFFFAOYSA-N -1 3 336.399 2.171 20 10 EECDHM Cc1cc(N(C)C)ccc1CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737269259 578247148 /nfs/dbraw/zinc/24/71/48/578247148.db2.gz APNGQAJMNRVFIW-UHFFFAOYSA-N -1 3 336.399 2.171 20 10 EECDHM Cc1ncc(C=CC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000826329470 607441012 /nfs/dbraw/zinc/44/10/12/607441012.db2.gz FHVMGOPLXNXCAD-FPLPWBNLSA-N -1 3 326.385 2.308 20 10 EECDHM Cc1ncc(C=CC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000826329470 607441013 /nfs/dbraw/zinc/44/10/13/607441013.db2.gz FHVMGOPLXNXCAD-FPLPWBNLSA-N -1 3 326.385 2.308 20 10 EECDHM CN(Cc1ccccc1O)C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000821615771 607223496 /nfs/dbraw/zinc/22/34/96/607223496.db2.gz MRSDSFDPRZBWRZ-KHPPLWFESA-N -1 3 335.367 2.244 20 10 EECDHM CN(Cc1ccccc1O)C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000821615771 607223497 /nfs/dbraw/zinc/22/34/97/607223497.db2.gz MRSDSFDPRZBWRZ-KHPPLWFESA-N -1 3 335.367 2.244 20 10 EECDHM O=C1N=C(N2CCCCC2)SC1=Cc1ccccc1-c1nnn[n-]1 ZINC000826481765 607884671 /nfs/dbraw/zinc/88/46/71/607884671.db2.gz IFOKHESOHGQMAG-JLHYYAGUSA-N -1 3 340.412 2.323 20 10 EECDHM O=C1N=C(N2CCCCC2)SC1=Cc1ccccc1-c1nn[n-]n1 ZINC000826481765 607884672 /nfs/dbraw/zinc/88/46/72/607884672.db2.gz IFOKHESOHGQMAG-JLHYYAGUSA-N -1 3 340.412 2.323 20 10 EECDHM CCOCCN1CCN(Cc2cccc(Br)c2[O-])CC1 ZINC000127459625 678322754 /nfs/dbraw/zinc/32/27/54/678322754.db2.gz QYPUPHSTFZPJCR-UHFFFAOYSA-N -1 3 343.265 2.309 20 10 EECDHM CN(C)c1ccc([C@H](CNC(=O)CC(C)(C)CC(=O)[O-])N(C)C)cc1 ZINC000899854923 693901836 /nfs/dbraw/zinc/90/18/36/693901836.db2.gz QCUJZQHYPCLHRU-INIZCTEOSA-N -1 3 349.475 2.363 20 10 EECDHM CCN(CC)c1ccc(CN[C@@H](C(=O)[O-])c2cnn(C)c2C)cc1 ZINC000904048424 694282686 /nfs/dbraw/zinc/28/26/86/694282686.db2.gz QZZSSBASUSXSRZ-QGZVFWFLSA-N -1 3 330.432 2.490 20 10 EECDHM Cc1ccc(C)n1-c1ccc(C(=O)NCCCc2c[n-][nH]c2=O)cc1 ZINC000898729986 693433484 /nfs/dbraw/zinc/43/34/84/693433484.db2.gz HWKHEYWHMFWCNH-MRXNPFEDSA-N -1 3 338.411 2.336 20 10 EECDHM CS(=O)(=O)[C@@H]1CCCN(Cc2ccc(Br)cc2[O-])C1 ZINC000701171371 1195164260 /nfs/dbraw/zinc/16/42/60/1195164260.db2.gz AONKDKRBFAFDPE-GFCCVEGCSA-N -1 3 348.262 2.164 20 10 EECDHM CC(=O)[C@H](C)N1C[C@]2(CC1=O)CCCCN2Cc1cccc(F)c1[O-] ZINC001273304563 1198005130 /nfs/dbraw/zinc/00/51/30/1198005130.db2.gz NXKFNUQACYTEOB-ORAYPTAESA-N -1 3 348.418 2.466 20 10 EECDHM COC(=O)[C@@H]1CC(F)(F)CN1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000880332460 1201461757 /nfs/dbraw/zinc/46/17/57/1201461757.db2.gz LXGGJKVSHIBETH-LBPRGKRZSA-N -1 3 331.290 2.117 20 10 EECDHM COCCN1[C@H](C)CN(Cc2cc(F)cc(C(C)=O)c2[O-])C[C@@H]1C ZINC000129148324 1201733741 /nfs/dbraw/zinc/73/37/41/1201733741.db2.gz SPPAHWPQAKGJAZ-BETUJISGSA-N -1 3 338.423 2.275 20 10 EECDHM CC(C)NC(=O)N1C[C@H]2C[C@@H](C1)N(Cc1c(F)ccc(F)c1[O-])C2 ZINC001275362387 1205321978 /nfs/dbraw/zinc/32/19/78/1205321978.db2.gz KFAHIKCWLOOWGD-RYUDHWBXSA-N -1 3 339.386 2.295 20 10 EECDHM CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1cccc(O)c1[O-] ZINC000188136416 1208626763 /nfs/dbraw/zinc/62/67/63/1208626763.db2.gz ASIFJLQRGIJSMU-UHFFFAOYSA-N -1 3 346.358 2.015 20 10 EECDHM CC(C)(C)C(=O)NC[C@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000193066877 1210712057 /nfs/dbraw/zinc/71/20/57/1210712057.db2.gz GTXUMPRZZNIKEZ-GFCCVEGCSA-N -1 3 334.416 2.112 20 10 EECDHM Cc1cc(N(C)C)ccc1CNC(=O)c1cc(F)cc2n[n-]nc21 ZINC000800494606 1234211606 /nfs/dbraw/zinc/21/16/06/1234211606.db2.gz FFIZDDYDLUHCSE-UHFFFAOYSA-N -1 3 327.363 2.401 20 10 EECDHM O=C([O-])c1ccc([O-])c(C[N@@H+]2CC[C@]3(C2)C(=O)Nc2ccccc23)c1 ZINC001231563677 1303847484 /nfs/dbraw/zinc/84/74/84/1303847484.db2.gz LUYYAZYMMNWIEO-LJQANCHMSA-N -1 3 338.363 2.186 20 10 EECDHM O=C([O-])c1ccc([O-])c(C[N@H+]2CC[C@]3(C2)C(=O)Nc2ccccc23)c1 ZINC001231563677 1303847490 /nfs/dbraw/zinc/84/74/90/1303847490.db2.gz LUYYAZYMMNWIEO-LJQANCHMSA-N -1 3 338.363 2.186 20 10 EECDHM COc1cc([O-])c(CN2CCN(C(=O)C3CCC3)CC2)cc1Cl ZINC001232269902 1304059584 /nfs/dbraw/zinc/05/95/84/1304059584.db2.gz MSIWPNPRECCGDC-UHFFFAOYSA-N -1 3 338.835 2.499 20 10 EECDHM CCCNC(=O)COC1CCN(Cc2c([O-])ccc(F)c2F)CC1 ZINC001233336440 1304436385 /nfs/dbraw/zinc/43/63/85/1304436385.db2.gz LPXCKDAQAQXDCY-UHFFFAOYSA-N -1 3 342.386 2.178 20 10 EECDHM CC(=O)c1cc(O)c([O-])cc1O[C@H]1CC[C@@H](N2CCOCC2)CC1 ZINC001234478403 1304938064 /nfs/dbraw/zinc/93/80/64/1304938064.db2.gz ZLSBOCJKEKORJT-OKILXGFUSA-N -1 3 335.400 2.323 20 10 EECDHM COC(=O)N1CCCN(Cc2c([O-])cc(OC)cc2Cl)CC1 ZINC001236798975 1305679288 /nfs/dbraw/zinc/67/92/88/1305679288.db2.gz QOZJCJCEQGDSAD-UHFFFAOYSA-N -1 3 328.796 2.328 20 10 EECDHM O=C1COCC2(CCN(Cc3c([O-])ccc(Cl)c3Cl)CC2)N1 ZINC001237079261 1305789954 /nfs/dbraw/zinc/78/99/54/1305789954.db2.gz JEMVTQURZGIZNI-UHFFFAOYSA-N -1 3 345.226 2.180 20 10 EECDHM O=S1(=O)CC[C@@H](N(Cc2c([O-])ccc3ccncc32)C2CC2)C1 ZINC000836023157 1314967930 /nfs/dbraw/zinc/96/79/30/1314967930.db2.gz VTZGFHUNJYUQJU-CQSZACIVSA-N -1 3 332.425 2.092 20 10 EECDHM CC(=O)[C@@H]1CN(Cc2cc(C)c(Br)cc2[O-])CCO1 ZINC001250136251 1317217678 /nfs/dbraw/zinc/21/76/78/1317217678.db2.gz PBVFUZFJSPLZCC-AWEZNQCLSA-N -1 3 328.206 2.253 20 10 EECDHM O=C([O-])c1cc(C2CCN(Cc3cc4c(cc3O)OCO4)CC2)no1 ZINC001608839567 1351775753 /nfs/dbraw/zinc/77/57/53/1351775753.db2.gz IBRCSTBYNWFHQC-UHFFFAOYSA-N -1 3 346.339 2.187 20 10 EECDHM CC[C@H]1CCC[C@@H]1CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC001330790522 1334903785 /nfs/dbraw/zinc/90/37/85/1334903785.db2.gz XTFKRYZFBNNGIS-NWDGAFQWSA-N -1 3 340.445 2.320 20 10 EECDHM C[C@H]([NH2+]CC1(CCO)CCCC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589978125 1349089555 /nfs/dbraw/zinc/08/95/55/1349089555.db2.gz KVEJQHGUDWJFAN-LBPRGKRZSA-N -1 3 331.420 2.166 20 10 EECDHM CCC(CC)(CCO)C[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590427320 1349319561 /nfs/dbraw/zinc/31/95/61/1349319561.db2.gz ZPDQQJKXLHXYFE-GFCCVEGCSA-N -1 3 333.436 2.412 20 10 EECDHM COc1ccc(NC(=S)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001591613649 1349515419 /nfs/dbraw/zinc/51/54/19/1349515419.db2.gz BCTGKAIPSXPWDG-UHFFFAOYSA-N -1 3 341.400 2.189 20 10 EECDHM CC[C@H]([NH2+]CCCOCC1CC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604055692 1350842002 /nfs/dbraw/zinc/84/20/02/1350842002.db2.gz NXYSIKJSRHGLBO-HNNXBMFYSA-N -1 3 331.420 2.430 20 10 EECDHM CCC[N@H+](Cc1ccccc1[O-])[C@@H]1CCCN(CCC(=O)[O-])C1=O ZINC001605320630 1351135696 /nfs/dbraw/zinc/13/56/96/1351135696.db2.gz KXTPGXSVSRRDAV-OAHLLOKOSA-N -1 3 334.416 2.070 20 10 EECDHM CCC[N@@H+](Cc1ccccc1[O-])[C@@H]1CCCN(CCC(=O)[O-])C1=O ZINC001605320630 1351135697 /nfs/dbraw/zinc/13/56/97/1351135697.db2.gz KXTPGXSVSRRDAV-OAHLLOKOSA-N -1 3 334.416 2.070 20 10 EECDHM Cc1ccc(C)c(NC(=S)NCc2ccc(-c3nnn[n-]3)cn2)c1 ZINC001605832780 1351231612 /nfs/dbraw/zinc/23/16/12/1351231612.db2.gz BPPLOIPFQWEYIJ-UHFFFAOYSA-N -1 3 339.428 2.365 20 10 EECDHM Cc1ccc(C)c(NC(=S)NCc2ccc(-c3nn[n-]n3)cn2)c1 ZINC001605832780 1351231614 /nfs/dbraw/zinc/23/16/14/1351231614.db2.gz BPPLOIPFQWEYIJ-UHFFFAOYSA-N -1 3 339.428 2.365 20 10 EECDHM Cc1cc(=O)oc2c1ccc([O-])c2CN1CC(N2CCCCC2)C1 ZINC001139130734 1372464361 /nfs/dbraw/zinc/46/43/61/1372464361.db2.gz IQSATIKCCIMUAF-UHFFFAOYSA-N -1 3 328.412 2.477 20 10 EECDHM O=C(N[C@H]1CCc2cc(-c3nn[n-]n3)ccc21)C1=CC(=O)CS1 ZINC001592998814 1404731054 /nfs/dbraw/zinc/73/10/54/1404731054.db2.gz CJIVSCINEAXBFX-LBPRGKRZSA-N -1 3 327.369 2.051 20 10 EECDHM O=C(NCCC1=CCN(c2nccnc2F)CC1)c1ccccc1[O-] ZINC001089811401 776155171 /nfs/dbraw/zinc/15/51/71/776155171.db2.gz CETNPMKADUKOEG-UHFFFAOYSA-N -1 3 342.374 2.278 20 10 EECDHM COC(=O)c1cc(NC(=O)c2cccc(O)c2[O-])cc2n[nH]cc21 ZINC001148218727 792252361 /nfs/dbraw/zinc/25/23/61/792252361.db2.gz IRJZNZAVLPPBEM-UHFFFAOYSA-N -1 3 327.296 2.013 20 10 EECDHM CC1(C)C(=O)NCc2cc(NC(=O)c3cccc(O)c3[O-])ccc21 ZINC001148219095 792253579 /nfs/dbraw/zinc/25/35/79/792253579.db2.gz RWQHYFOFFILLRS-UHFFFAOYSA-N -1 3 326.352 2.258 20 10 EECDHM O=C(N[C@H](c1ccccc1)c1cccnn1)c1cc(O)c([O-])c(O)c1 ZINC001148590452 792574255 /nfs/dbraw/zinc/57/42/55/792574255.db2.gz KNUSUTUAYYIYEL-MRXNPFEDSA-N -1 3 337.335 2.113 20 10 EECDHM Cc1c(NC(=O)c2cccc(O)c2[O-])c(=O)n(-c2ccccc2)n1C ZINC000186733664 802724708 /nfs/dbraw/zinc/72/47/08/802724708.db2.gz ANPHVVDAEYPKAV-UHFFFAOYSA-N -1 3 339.351 2.148 20 10 EECDHM CCCOc1ccc(CN[C@H]2CCCCN(CC(=O)[O-])C2=O)cc1C ZINC001603680225 974071502 /nfs/dbraw/zinc/07/15/02/974071502.db2.gz CFIZDOIXOSDPQH-INIZCTEOSA-N -1 3 348.443 2.339 20 10 EECDHM C[C@@H]([NH2+]CCN1C[C@@H]2CCCCN2C1=O)c1cc(C(=O)[O-])ccc1[O-] ZINC001593268983 994596504 /nfs/dbraw/zinc/59/65/04/994596504.db2.gz YFCFVXLBUVLVMC-OCCSQVGLSA-N -1 3 347.415 2.031 20 10 EECDHM COc1cccc([O-])c1C[NH+]1CCC(c2cc(C(=O)[O-])on2)CC1 ZINC001599680531 994973634 /nfs/dbraw/zinc/97/36/34/994973634.db2.gz WJPONYFMJOIAFI-UHFFFAOYSA-N -1 3 332.356 2.467 20 10 EECDHM COC[C@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1[O-])C(=O)[O-] ZINC001599176663 996858330 /nfs/dbraw/zinc/85/83/30/996858330.db2.gz OHLGODNTKIIFMX-INIZCTEOSA-N -1 3 331.368 2.160 20 10 EECDHM C[C@H]1CCCN(C(=O)C2CCN(C(=O)c3cccc(O)c3[O-])CC2)C1 ZINC000192985595 237357523 /nfs/dbraw/zinc/35/75/23/237357523.db2.gz MYFFOLRMBFNFHI-ZDUSSCGKSA-N -1 3 346.427 2.209 20 10 EECDHM C[C@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])[C@@H](C)C1 ZINC000091729340 462900479 /nfs/dbraw/zinc/90/04/79/462900479.db2.gz DRPCYWSXNQEIRR-QWRGUYRKSA-N -1 3 326.418 2.024 20 10 EECDHM CC(=O)NC[C@H]1CCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000155543635 462906235 /nfs/dbraw/zinc/90/62/35/462906235.db2.gz PPWJGPMKUCYYRA-LLVKDONJSA-N -1 3 341.795 2.302 20 10 EECDHM CCOCC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000158091138 463204216 /nfs/dbraw/zinc/20/42/16/463204216.db2.gz LLHQPLBJKMVMGV-CQSZACIVSA-N -1 3 326.824 2.163 20 10 EECDHM COc1ccc(N2CCN([C@H](C)C(=O)[N-]c3cc(C)no3)CC2)cc1 ZINC000054548264 463243444 /nfs/dbraw/zinc/24/34/44/463243444.db2.gz IFFRIKHLUCCIIT-CQSZACIVSA-N -1 3 344.415 2.141 20 10 EECDHM C[C@@H](N[C@@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(F)cc1[O-] ZINC000186082105 463933837 /nfs/dbraw/zinc/93/38/37/463933837.db2.gz USUNUFIMIKTTRD-BXUZGUMPSA-N -1 3 332.379 2.111 20 10 EECDHM O=C(N[C@H](CN1CCCC1=O)c1ccccc1)c1cccc(O)c1[O-] ZINC000188280919 464242988 /nfs/dbraw/zinc/24/29/88/464242988.db2.gz MYBJYSHSBOPSEQ-OAHLLOKOSA-N -1 3 340.379 2.191 20 10 EECDHM COCCn1cc(CN(Cc2ccccc2[O-])C[C@@H]2CCCO2)cn1 ZINC000270988475 464272914 /nfs/dbraw/zinc/27/29/14/464272914.db2.gz GZMIBPBNONWZGX-SFHVURJKSA-N -1 3 345.443 2.416 20 10 EECDHM CC[C@H](C)C[C@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000174534924 464419845 /nfs/dbraw/zinc/41/98/45/464419845.db2.gz WGSGYIIYGRAJDG-QWRGUYRKSA-N -1 3 328.434 2.318 20 10 EECDHM CN(C(=O)[C@H]1CCN(C(=O)c2cccc(O)c2[O-])C1)c1ccccc1 ZINC000281468868 464466740 /nfs/dbraw/zinc/46/67/40/464466740.db2.gz CKUFQCZMTYPYKN-ZDUSSCGKSA-N -1 3 340.379 2.223 20 10 EECDHM O=C1OCC[C@]12CCCN2Cc1cc(Br)ccc1[O-] ZINC000190033064 464588905 /nfs/dbraw/zinc/58/89/05/464588905.db2.gz REVKSDNXTCWUGP-CQSZACIVSA-N -1 3 326.190 2.436 20 10 EECDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2ccc(N(C)C)nc2)c1 ZINC000273400751 464715753 /nfs/dbraw/zinc/71/57/53/464715753.db2.gz MYEFWGGGARITLW-GFCCVEGCSA-N -1 3 329.400 2.491 20 10 EECDHM C[C@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1(C)C ZINC000274137892 464734990 /nfs/dbraw/zinc/73/49/90/464734990.db2.gz DGKHFVZYGGIZTG-NSHDSACASA-N -1 3 340.445 2.272 20 10 EECDHM CC(C)(C)OC(=O)NC[C@H]1CN(Cc2cc(F)ccc2[O-])CCO1 ZINC000274973204 464761300 /nfs/dbraw/zinc/76/13/00/464761300.db2.gz WNDDEJARIUHPLR-AWEZNQCLSA-N -1 3 340.395 2.257 20 10 EECDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@H](OCCO)C2)c1[O-] ZINC000177181070 464951602 /nfs/dbraw/zinc/95/16/02/464951602.db2.gz YDOCCSKMWZVFKA-AWEZNQCLSA-N -1 3 327.808 2.222 20 10 EECDHM Cn1ccnc1[C@@]([O-])(C[NH2+]Cc1cc(Cl)ccc1[O-])C(F)(F)F ZINC000725849385 576069222 /nfs/dbraw/zinc/06/92/22/576069222.db2.gz LWZNNXFIYFTSLB-ZDUSSCGKSA-N -1 3 349.740 2.319 20 10 EECDHM COc1c([O-])c(CN[C@@H](C)C(=O)Nc2ccccc2)ccc1[N+](=O)[O-] ZINC000775010929 577426322 /nfs/dbraw/zinc/42/63/22/577426322.db2.gz GYWPVYMQKRNOGU-NSHDSACASA-N -1 3 345.355 2.426 20 10 EECDHM COC(=O)[C@@H](CNC(=O)c1ccc(C)c(O)c1[O-])c1ccc(F)cc1 ZINC000765708507 577505779 /nfs/dbraw/zinc/50/57/79/577505779.db2.gz NVHYKUJJQMYOAG-AWEZNQCLSA-N -1 3 347.342 2.232 20 10 EECDHM Cn1ccc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)n1 ZINC000771055124 577608785 /nfs/dbraw/zinc/60/87/85/577608785.db2.gz BDYALMCTWGXLHO-CQSZACIVSA-N -1 3 348.834 2.174 20 10 EECDHM COc1ccc(O)c(CNC(=O)c2cc(OC)c([O-])c(OC)c2)c1 ZINC000764264065 577733570 /nfs/dbraw/zinc/73/35/70/577733570.db2.gz BBAIVMOQBUQBIO-UHFFFAOYSA-N -1 3 333.340 2.054 20 10 EECDHM COC(=O)[C@H](CNC(=O)c1cc([O-])cs1)Cc1ccccc1OC ZINC000752637163 577774068 /nfs/dbraw/zinc/77/40/68/577774068.db2.gz XFTRPQCCKDCNMW-LBPRGKRZSA-N -1 3 349.408 2.224 20 10 EECDHM CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(N)cc1[O-] ZINC000752806773 577776473 /nfs/dbraw/zinc/77/64/73/577776473.db2.gz BNWDIKQPSMASHJ-UHFFFAOYSA-N -1 3 341.411 2.083 20 10 EECDHM COCCNC(=O)[C@H](CC(C)C)N[C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756857839 577851532 /nfs/dbraw/zinc/85/15/32/577851532.db2.gz WUYMBTSAXKDLPG-NHYWBVRUSA-N -1 3 344.402 2.498 20 10 EECDHM CC(C)(C)NC(=O)[C@H]1[C@H]2CC[C@@H]1CN(C(=O)c1cccc(O)c1[O-])C2 ZINC001269559560 1184392541 /nfs/dbraw/zinc/39/25/41/1184392541.db2.gz FTELEZLBPCZZBW-JJLQDPRZSA-N -1 3 346.427 2.111 20 10 EECDHM [O-]c1cc(Br)ccc1CN1CCOC[C@]12CCOC2 ZINC000825774034 1199170840 /nfs/dbraw/zinc/17/08/40/1199170840.db2.gz UPQLWCVYNOYGPI-CQSZACIVSA-N -1 3 328.206 2.146 20 10 EECDHM CNS(=O)(=O)c1cccc(CN[C@@H](C)c2c([O-])cccc2F)c1 ZINC000886510163 1202516295 /nfs/dbraw/zinc/51/62/95/1202516295.db2.gz WMWKPVGWVMZUFV-NSHDSACASA-N -1 3 338.404 2.290 20 10 EECDHM CCOC(=O)Cc1cccc(S(=O)(=O)[N-]c2ccc(O)cc2)c1 ZINC000795276654 1212388714 /nfs/dbraw/zinc/38/87/14/1212388714.db2.gz SADBIPMKSMIPLG-UHFFFAOYSA-N -1 3 335.381 2.299 20 10 EECDHM C[C@@H]1CCS(=O)(=O)CCN1Cc1c([O-])cccc1Br ZINC000862347196 1295801869 /nfs/dbraw/zinc/80/18/69/1295801869.db2.gz QDSVPKRTNHFKRE-SNVBAGLBSA-N -1 3 348.262 2.164 20 10 EECDHM O=C1c2cccc([O-])c2C(=O)c2c(O[C@@H]3CNCC3(F)F)cccc21 ZINC001218230646 1297607285 /nfs/dbraw/zinc/60/72/85/1297607285.db2.gz CCADGEHSMKPUSS-CYBMUJFWSA-N -1 3 345.301 2.154 20 10 EECDHM O=C1c2cccc(O[C@H]3CNCC3(F)F)c2C(=O)c2cccc([O-])c21 ZINC001218235195 1297610070 /nfs/dbraw/zinc/61/00/70/1297610070.db2.gz JMCWLKCVMDPQNJ-ZDUSSCGKSA-N -1 3 345.301 2.154 20 10 EECDHM CC[N@H+](CCNC(=O)OC(C)(C)C)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231453082 1303802133 /nfs/dbraw/zinc/80/21/33/1303802133.db2.gz BRKXZYMMMDLAKW-UHFFFAOYSA-N -1 3 338.404 2.437 20 10 EECDHM CC[N@@H+](CCNC(=O)OC(C)(C)C)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231453082 1303802136 /nfs/dbraw/zinc/80/21/36/1303802136.db2.gz BRKXZYMMMDLAKW-UHFFFAOYSA-N -1 3 338.404 2.437 20 10 EECDHM COC[C@]12CCCO[C@H]1CC[N@H+](Cc1cc(C(=O)[O-])ccc1[O-])C2 ZINC001231564584 1303849419 /nfs/dbraw/zinc/84/94/19/1303849419.db2.gz XHAMLSPSFUUYMS-FUHWJXTLSA-N -1 3 335.400 2.108 20 10 EECDHM COC[C@]12CCCO[C@H]1CC[N@@H+](Cc1cc(C(=O)[O-])ccc1[O-])C2 ZINC001231564584 1303849421 /nfs/dbraw/zinc/84/94/21/1303849421.db2.gz XHAMLSPSFUUYMS-FUHWJXTLSA-N -1 3 335.400 2.108 20 10 EECDHM CCOC(=O)[C@H]1C(=O)CCCN1Cc1cc(Cl)c(OC)cc1[O-] ZINC001232269730 1304059737 /nfs/dbraw/zinc/05/97/37/1304059737.db2.gz JBUJUBQNYSDECE-OAHLLOKOSA-N -1 3 341.791 2.151 20 10 EECDHM [O-]c1cc(I)ccc1CN1CC(F)(F)C1 ZINC001232975282 1304313732 /nfs/dbraw/zinc/31/37/32/1304313732.db2.gz YUGVHPDOSGDQHN-UHFFFAOYSA-N -1 3 325.096 2.448 20 10 EECDHM CC(=O)c1cc(O)c([O-])cc1O[C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001234478400 1304938214 /nfs/dbraw/zinc/93/82/14/1304938214.db2.gz ZLSBOCJKEKORJT-HDJSIYSDSA-N -1 3 335.400 2.323 20 10 EECDHM O=c1c2cc(O)c(O)cc2oc2cc([O-])cc(OC[C@H]3CCO3)c12 ZINC001234748126 1305018487 /nfs/dbraw/zinc/01/84/87/1305018487.db2.gz FXTVMIGZPRXJDX-SECBINFHSA-N -1 3 330.292 2.231 20 10 EECDHM COc1cc([O-])c(CN2CCC[C@]3(CNC(=O)O3)C2)c(Cl)c1 ZINC001236803988 1305681138 /nfs/dbraw/zinc/68/11/38/1305681138.db2.gz RYHAKQFANDSCHF-HNNXBMFYSA-N -1 3 326.780 2.129 20 10 EECDHM COc1ccc(CN2CCC(N3CCOC3=O)CC2)c([O-])c1Cl ZINC001236807481 1305684118 /nfs/dbraw/zinc/68/41/18/1305684118.db2.gz PPHFUOHCCXXZKA-UHFFFAOYSA-N -1 3 340.807 2.471 20 10 EECDHM CCNC(=O)COC1CCN(Cc2cc(F)cc(Cl)c2[O-])CC1 ZINC001237804234 1306103344 /nfs/dbraw/zinc/10/33/44/1306103344.db2.gz ZGXQTWNCQFEJDJ-UHFFFAOYSA-N -1 3 344.814 2.302 20 10 EECDHM CC(=O)NCc1ncn2c1CN(Cc1c([O-])cccc1Cl)CCC2 ZINC001140344398 1314873914 /nfs/dbraw/zinc/87/39/14/1314873914.db2.gz JFVOOLVJPPBIEN-UHFFFAOYSA-N -1 3 348.834 2.284 20 10 EECDHM COC(=O)[C@@H]1C[C@@H]2COC[C@H](C1)N2Cc1ccc(Cl)cc1[O-] ZINC001140465692 1314893216 /nfs/dbraw/zinc/89/32/16/1314893216.db2.gz RJJUSTRWWZPCGU-DEZZGGKRSA-N -1 3 325.792 2.198 20 10 EECDHM O=S1(=O)CCN(Cc2c([O-])ccc3ccncc32)[C@@H](C2CCC2)C1 ZINC000840178820 1315318081 /nfs/dbraw/zinc/31/80/81/1315318081.db2.gz GQAHBYFHTTXZLO-QGZVFWFLSA-N -1 3 346.452 2.340 20 10 EECDHM [O-]c1ccc(Cl)cc1CN1CCOC[C@](O)(C(F)(F)F)C1 ZINC001203650780 1321932565 /nfs/dbraw/zinc/93/25/65/1321932565.db2.gz BPZCKRXTKLRIMW-LBPRGKRZSA-N -1 3 325.714 2.171 20 10 EECDHM C[C@H]([NH2+][C@H](CO)C1CCCCC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603648852 1350733407 /nfs/dbraw/zinc/73/34/07/1350733407.db2.gz BOAFHAXLBRYWGT-XHDPSFHLSA-N -1 3 331.420 2.164 20 10 EECDHM C[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)[C@H]1O)c1cc(C(=O)[O-])ccc1[O-] ZINC001609776596 1352082851 /nfs/dbraw/zinc/08/28/51/1352082851.db2.gz HOCRSVMAIQYINO-QEORTHHSSA-N -1 3 349.427 2.309 20 10 EECDHM C[C@H]([NH2+][C@@H]1CCCc2c1cnn2C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589958273 1349079126 /nfs/dbraw/zinc/07/91/26/1349079126.db2.gz VKLRIMTVDVHXLB-IINYFYTJSA-N -1 3 339.403 2.034 20 10 EECDHM CC[C@@H]([NH2+][C@H]1COC2(CCC2)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590465733 1349341540 /nfs/dbraw/zinc/34/15/40/1349341540.db2.gz VOEPGQQXZXITQY-BXUZGUMPSA-N -1 3 329.404 2.325 20 10 EECDHM Cc1cc(CNCc2ccc(N3CCC(O)CC3)cc2)[nH]c1C(=O)[O-] ZINC001600209617 1349993356 /nfs/dbraw/zinc/99/33/56/1349993356.db2.gz RZHHRVMEVWFORX-UHFFFAOYSA-N -1 3 343.427 2.272 20 10 EECDHM COc1ccc(O)c(CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])c1 ZINC001605303731 1351130958 /nfs/dbraw/zinc/13/09/58/1351130958.db2.gz UOOPJASXVOOIGR-UHFFFAOYSA-N -1 3 342.315 2.101 20 10 EECDHM COc1ccc(O)c(CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])c1 ZINC001605303731 1351130961 /nfs/dbraw/zinc/13/09/61/1351130961.db2.gz UOOPJASXVOOIGR-UHFFFAOYSA-N -1 3 342.315 2.101 20 10 EECDHM O=C1[C@H](NCc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@H]2CCCCN12 ZINC000835073536 1372587529 /nfs/dbraw/zinc/58/75/29/1372587529.db2.gz MTEBNQGNDXNTGL-VXGBXAGGSA-N -1 3 339.779 2.197 20 10 EECDHM Cc1nsc(NCc2ccc(N(C)C)c(F)c2)c1-c1nnn[n-]1 ZINC001606162485 1404771547 /nfs/dbraw/zinc/77/15/47/1404771547.db2.gz WDFPMFCQSPEDIL-UHFFFAOYSA-N -1 3 333.396 2.449 20 10 EECDHM CC1(C)CN(Cc2cc(Br)ccc2[O-])C[C@H](CO)O1 ZINC000817413383 784764305 /nfs/dbraw/zinc/76/43/05/784764305.db2.gz XDSNSTRRYQCACL-GFCCVEGCSA-N -1 3 330.222 2.126 20 10 EECDHM COCCCOc1ccc(CNC(=O)c2cccc(O)c2[O-])cc1 ZINC000804143658 785301128 /nfs/dbraw/zinc/30/11/28/785301128.db2.gz HRZWIANPCIBUEC-UHFFFAOYSA-N -1 3 331.368 2.443 20 10 EECDHM CCOC(=O)N1CCN(Cc2c([O-])cccc2Br)CC1 ZINC000707151622 786181725 /nfs/dbraw/zinc/18/17/25/786181725.db2.gz FWBNBDOHDBACOG-UHFFFAOYSA-N -1 3 343.221 2.429 20 10 EECDHM CN(CCCCNC(=O)c1cccc(O)c1[O-])C(=O)OC(C)(C)C ZINC001148220145 792253649 /nfs/dbraw/zinc/25/36/49/792253649.db2.gz SPTVVIPVYFGRAD-UHFFFAOYSA-N -1 3 338.404 2.475 20 10 EECDHM CN1c2cc(NC(=O)c3cc(O)c([O-])c(O)c3)ccc2C(C)(C)C1=O ZINC001148586865 792572683 /nfs/dbraw/zinc/57/26/83/792572683.db2.gz XQJJWRGORLKTTN-UHFFFAOYSA-N -1 3 342.351 2.310 20 10 EECDHM C[C@H]1C(=O)OC[C@H]1C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001182089051 801033525 /nfs/dbraw/zinc/03/35/25/801033525.db2.gz PQKLNCVIAPIQRN-LDYMZIIASA-N -1 3 334.759 2.019 20 10 EECDHM CN(C)c1ccc(CN2CCC[C@@H](O)[C@H]2C(=O)[O-])c(C(F)(F)F)c1 ZINC001598317560 991304989 /nfs/dbraw/zinc/30/49/89/991304989.db2.gz IMZHREQGLTUPQE-KGLIPLIRSA-N -1 3 346.349 2.181 20 10 EECDHM C[C@H]([NH2+][C@@H](CO)Cc1ccc(F)cc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593207107 994214593 /nfs/dbraw/zinc/21/45/93/994214593.db2.gz AVUJISUABDOQTQ-XHDPSFHLSA-N -1 3 333.359 2.484 20 10 EECDHM C[C@@H]([NH2+]CCN1C[C@H]2CCCCN2C1=O)c1cc(C(=O)[O-])ccc1[O-] ZINC001593268986 994596713 /nfs/dbraw/zinc/59/67/13/994596713.db2.gz YFCFVXLBUVLVMC-TZMCWYRMSA-N -1 3 347.415 2.031 20 10 EECDHM C[C@H]1CCN(Cc2cc(Br)ccc2[O-])CCS1(=O)=O ZINC000192050876 237289677 /nfs/dbraw/zinc/28/96/77/237289677.db2.gz UNZFUZLZTUBIQG-JTQLQIEISA-N -1 3 348.262 2.164 20 10 EECDHM O=C(/C=C/c1ccc(N2CCOCC2)cc1)[N-]OCc1cccnc1 ZINC000152710112 462572792 /nfs/dbraw/zinc/57/27/92/462572792.db2.gz ZULANVOIMLMMAU-VMPITWQZSA-N -1 3 339.395 2.179 20 10 EECDHM CCCS(=O)(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000151328096 463513212 /nfs/dbraw/zinc/51/32/12/463513212.db2.gz KWXZUIOMSSNRBT-AWEZNQCLSA-N -1 3 346.880 2.339 20 10 EECDHM O=C(c1cccc(O)c1[O-])N1CCC(Oc2ccc(F)nc2)CC1 ZINC000276960213 463820539 /nfs/dbraw/zinc/82/05/39/463820539.db2.gz TYTYPAAPJJGEGC-UHFFFAOYSA-N -1 3 332.331 2.316 20 10 EECDHM COc1c([O-])c(CN[C@@H]2c3ccccc3C[C@H]2O)ccc1[N+](=O)[O-] ZINC000278473260 463966402 /nfs/dbraw/zinc/96/64/02/463966402.db2.gz HPVPYSANAQLIPS-HUUCEWRRSA-N -1 3 330.340 2.057 20 10 EECDHM CCOC(=O)[C@@]1(C(C)C)CCN(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000278554044 463971278 /nfs/dbraw/zinc/97/12/78/463971278.db2.gz PQRGIENPEPCCKZ-SFHVURJKSA-N -1 3 335.400 2.458 20 10 EECDHM COc1c([O-])c(CN[C@H]2CCCc3c2cnn3C)ccc1[N+](=O)[O-] ZINC000278900953 464007013 /nfs/dbraw/zinc/00/70/13/464007013.db2.gz RCKPKOPYKUOOTB-LBPRGKRZSA-N -1 3 332.360 2.210 20 10 EECDHM O=C(c1cccnc1)N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000270993877 464273255 /nfs/dbraw/zinc/27/32/55/464273255.db2.gz IVFJPDLHRDAKMC-UHFFFAOYSA-N -1 3 331.803 2.399 20 10 EECDHM CCn1ccnc1[C@H]1OCC[C@@H]1NCc1cc([N+](=O)[O-])ccc1[O-] ZINC000275470825 464775495 /nfs/dbraw/zinc/77/54/95/464775495.db2.gz HTVFBXITALFODH-ZFWWWQNUSA-N -1 3 332.360 2.137 20 10 EECDHM O=C1NCCN1[C@H]1CCCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000364588414 466706483 /nfs/dbraw/zinc/70/64/83/466706483.db2.gz JLGHXXPOOSBAPH-JTQLQIEISA-N -1 3 327.787 2.174 20 10 EECDHM COc1c([O-])c(CNc2cnc3c(c2)COCC3)ccc1[N+](=O)[O-] ZINC000377082776 467021670 /nfs/dbraw/zinc/02/16/70/467021670.db2.gz ZTZRVMFWUWLKIO-UHFFFAOYSA-N -1 3 331.328 2.389 20 10 EECDHM CC(=O)c1cc(F)cc(CN(CCS(C)(=O)=O)C(C)(C)C)c1[O-] ZINC000131589230 527209226 /nfs/dbraw/zinc/20/92/26/527209226.db2.gz FVCHMNBVVZQWJX-UHFFFAOYSA-N -1 3 345.436 2.379 20 10 EECDHM CCCOc1ccc(CN2CC[C@@H](C)S(=O)(=O)CC2)c([O-])c1 ZINC000192049968 528662659 /nfs/dbraw/zinc/66/26/59/528662659.db2.gz MAJYIVNMRJRZLX-CYBMUJFWSA-N -1 3 327.446 2.190 20 10 EECDHM CCN1C(=S)N=NC1[C@@H]1CCCN(C(=O)c2cc([O-])cs2)C1 ZINC000732289316 577166762 /nfs/dbraw/zinc/16/67/62/577166762.db2.gz YZYNUVSJWUULOU-SECBINFHSA-N -1 3 338.458 2.374 20 10 EECDHM NC(=O)[C@H](CNC(=O)c1cc([O-])cs1)Cc1ccccc1Cl ZINC000732290555 577167215 /nfs/dbraw/zinc/16/72/15/577167215.db2.gz ZJULNPFNSLCLJM-JTQLQIEISA-N -1 3 338.816 2.181 20 10 EECDHM [O-]c1cc2c(cc1CN1CCO[C@@H](Cc3ccccc3)C1)[C@@H](O)CO2 ZINC000776294490 577457321 /nfs/dbraw/zinc/45/73/21/577457321.db2.gz RRMFRJCDRTWZKR-LPHOPBHVSA-N -1 3 341.407 2.262 20 10 EECDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2cccc(OCC(N)=O)c2)c1 ZINC000756800750 577850302 /nfs/dbraw/zinc/85/03/02/577850302.db2.gz FFDYSNNHIZBPJX-LLVKDONJSA-N -1 3 344.367 2.216 20 10 EECDHM CN1CCCc2cc(CNC=C3C(=O)[N-]C(=O)c4ccccc43)ccc21 ZINC000255469876 678030242 /nfs/dbraw/zinc/03/02/42/678030242.db2.gz ZAPCCPGAUBAVFN-AQTBWJFISA-N -1 3 347.418 2.470 20 10 EECDHM COC(=O)[C@H]1[C@@H]2CN(Cc3cccc(Br)c3[O-])C[C@@H]21 ZINC000814173040 1199323884 /nfs/dbraw/zinc/32/38/84/1199323884.db2.gz HBJVSLRSXQNLNO-IAZYJMLFSA-N -1 3 326.190 2.006 20 10 EECDHM CON(C)C(=O)C1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000812779713 1200908682 /nfs/dbraw/zinc/90/86/82/1200908682.db2.gz GSMOWOPQTYIGRB-UHFFFAOYSA-N -1 3 330.787 2.417 20 10 EECDHM CC1(C)CCC[C@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000092422197 1214476025 /nfs/dbraw/zinc/47/60/25/1214476025.db2.gz VBIBHWCOPHFNFD-CYBMUJFWSA-N -1 3 326.418 2.072 20 10 EECDHM O=C1OC[C@@H](COc2cccc3c2C(=O)c2c([O-])cccc2C3=O)O1 ZINC001226380452 1301388010 /nfs/dbraw/zinc/38/80/10/1301388010.db2.gz VPJDVYLZPZXVGK-SECBINFHSA-N -1 3 340.287 2.082 20 10 EECDHM C[C@H](CN(C)C)Oc1cccc2c1C(=O)c1cccc([O-])c1C2=O ZINC001229192793 1302664378 /nfs/dbraw/zinc/66/43/78/1302664378.db2.gz UGJJFJWQLPEJHS-LLVKDONJSA-N -1 3 325.364 2.497 20 10 EECDHM COc1cc([O-])c(CN2CCN(c3cnccn3)CC2)cc1Cl ZINC001232263892 1304058088 /nfs/dbraw/zinc/05/80/88/1304058088.db2.gz BDGMXABZCHDJSW-UHFFFAOYSA-N -1 3 334.807 2.166 20 10 EECDHM CCOC(=O)[C@H]1CN(Cc2cc(Cl)c(OC)cc2[O-])CCC1=O ZINC001232267136 1304058931 /nfs/dbraw/zinc/05/89/31/1304058931.db2.gz XLJODTJQQUXJOD-NSHDSACASA-N -1 3 341.791 2.008 20 10 EECDHM [O-]c1cc(I)ccc1CN1CCCC[C@@H]1CO ZINC001232974444 1304311920 /nfs/dbraw/zinc/31/19/20/1304311920.db2.gz OEHNVWXLHOOEQH-GFCCVEGCSA-N -1 3 347.196 2.344 20 10 EECDHM COc1cc([O-])c(CN2CC[C@](F)(CO)C2)c(Br)c1 ZINC001237062201 1305782904 /nfs/dbraw/zinc/78/29/04/1305782904.db2.gz LFHNUBQQTPOABX-CYBMUJFWSA-N -1 3 334.185 2.070 20 10 EECDHM COc1cc([O-])c(CN2C[C@@H](F)C[C@H]2CO)c(Br)c1 ZINC001237061766 1305782050 /nfs/dbraw/zinc/78/20/50/1305782050.db2.gz HNGQWRBRNZDSNT-IUCAKERBSA-N -1 3 334.185 2.068 20 10 EECDHM COC(=O)N1CCCN(Cc2c([O-])ccc3c(C)cc(=O)oc32)CC1 ZINC001139125186 1314707357 /nfs/dbraw/zinc/70/73/57/1314707357.db2.gz OUPBSHVJNNEWLD-UHFFFAOYSA-N -1 3 346.383 2.081 20 10 EECDHM COC(=O)[C@@H]1C[C@@H]2COC[C@H](C1)N2Cc1c([O-])cccc1Cl ZINC001140341547 1314870639 /nfs/dbraw/zinc/87/06/39/1314870639.db2.gz VLVWJRQRLTVVGP-CNDDSTCGSA-N -1 3 325.792 2.198 20 10 EECDHM O=S1(=O)CC[C@H](CF)C12CN(Cc1c([O-])cccc1Cl)C2 ZINC001140342106 1314871815 /nfs/dbraw/zinc/87/18/15/1314871815.db2.gz VEWBYNXQJRLEMK-SNVBAGLBSA-N -1 3 333.812 2.004 20 10 EECDHM Cc1nnc(CC(=O)NCc2cc(Cl)c3cccnc3c2[O-])o1 ZINC001142001929 1315416547 /nfs/dbraw/zinc/41/65/47/1315416547.db2.gz LMMZXTGNSWMYNP-UHFFFAOYSA-N -1 3 332.747 2.144 20 10 EECDHM COC(=O)c1cc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)ccc1O ZINC001259861076 1319711636 /nfs/dbraw/zinc/71/16/36/1319711636.db2.gz KRYXDKSHHJEMPK-UHFFFAOYSA-N -1 3 347.392 2.468 20 10 EECDHM CCOC1CC(CC[NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2[O-])C1 ZINC001604407934 1350931276 /nfs/dbraw/zinc/93/12/76/1350931276.db2.gz BCBVNXZIDYCBKM-HIFPTAJRSA-N -1 3 331.420 2.428 20 10 EECDHM COc1c([O-])c(CN(C)Cc2ccc(C(N)=O)cc2)ccc1[N+](=O)[O-] ZINC001324440772 1333684082 /nfs/dbraw/zinc/68/40/82/1333684082.db2.gz FVDWWAQNNBTVBC-UHFFFAOYSA-N -1 3 345.355 2.040 20 10 EECDHM COc1cccc([C@H](O)C[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])c1 ZINC001610355878 1352210017 /nfs/dbraw/zinc/21/00/17/1352210017.db2.gz WOTQTZWPEHWTAC-APPDUMDISA-N -1 3 331.368 2.483 20 10 EECDHM C[C@H]([NH2+]CCN1CCCC1(C)C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589960578 1349080750 /nfs/dbraw/zinc/08/07/50/1349080750.db2.gz CDAQBGHJDXWKHW-LBPRGKRZSA-N -1 3 330.436 2.097 20 10 EECDHM C[C@@H]([NH2+]CCSC(F)(F)F)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589963145 1349083712 /nfs/dbraw/zinc/08/37/12/1349083712.db2.gz LJMRWJSJGFIRAV-SSDOTTSWSA-N -1 3 333.339 2.476 20 10 EECDHM CCC(CC)(C[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-])C(=O)OC ZINC001590428255 1349320054 /nfs/dbraw/zinc/32/00/54/1349320054.db2.gz QMWPQPOAPAHICV-LLVKDONJSA-N -1 3 347.419 2.202 20 10 EECDHM Oc1ccc(CCNc2ccc3cc(-c4nnn[n-]4)ccc3n2)cc1O ZINC001593540953 1349837344 /nfs/dbraw/zinc/83/73/44/1349837344.db2.gz ZFLSMFVVJQMVPZ-UHFFFAOYSA-N -1 3 348.366 2.481 20 10 EECDHM Oc1ccc(CCNc2ccc3cc(-c4nn[n-]n4)ccc3n2)cc1O ZINC001593540953 1349837348 /nfs/dbraw/zinc/83/73/48/1349837348.db2.gz ZFLSMFVVJQMVPZ-UHFFFAOYSA-N -1 3 348.366 2.481 20 10 EECDHM CN1CCCc2cc(CNC(=O)c3ccc(-c4nnn[n-]4)cc3)ccc21 ZINC001604862400 1351021354 /nfs/dbraw/zinc/02/13/54/1351021354.db2.gz IFJVCKGUIUXKMJ-UHFFFAOYSA-N -1 3 348.410 2.179 20 10 EECDHM CN1CCCc2cc(CNC(=O)c3ccc(-c4nn[n-]n4)cc3)ccc21 ZINC001604862400 1351021359 /nfs/dbraw/zinc/02/13/59/1351021359.db2.gz IFJVCKGUIUXKMJ-UHFFFAOYSA-N -1 3 348.410 2.179 20 10 EECDHM O=C(N[C@@H]1CCCN(Cc2c([O-])cccc2F)C1)c1cccnc1 ZINC001137841686 1372283154 /nfs/dbraw/zinc/28/31/54/1372283154.db2.gz PYVTXBMOMAWTHN-CQSZACIVSA-N -1 3 329.375 2.321 20 10 EECDHM CCC1(O)CCC([NH2+][C@H](C)c2cccc(-c3nn[n-]n3)c2[O-])CC1 ZINC001590501553 1403881467 /nfs/dbraw/zinc/88/14/67/1403881467.db2.gz XWGOKAMHEJITFV-ZBFVHZJFSA-N -1 3 331.420 2.307 20 10 EECDHM Fc1ccc(NC(=S)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001606321734 1404792833 /nfs/dbraw/zinc/79/28/33/1404792833.db2.gz BZRMSJTZCZJLGT-UHFFFAOYSA-N -1 3 329.364 2.319 20 10 EECDHM Fc1ccc(NC(=S)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001606321734 1404792838 /nfs/dbraw/zinc/79/28/38/1404792838.db2.gz BZRMSJTZCZJLGT-UHFFFAOYSA-N -1 3 329.364 2.319 20 10 EECDHM CN(CC(=O)N1CCCC1)Cc1c([O-])cccc1Br ZINC000707129328 786137600 /nfs/dbraw/zinc/13/76/00/786137600.db2.gz FRLICVAHBAIHPJ-UHFFFAOYSA-N -1 3 327.222 2.209 20 10 EECDHM COCC(C)(C)N1CCN(Cc2cc(F)cc(C(C)=O)c2[O-])CC1 ZINC000823462586 787761630 /nfs/dbraw/zinc/76/16/30/787761630.db2.gz VOLGRKNBMGVMQL-UHFFFAOYSA-N -1 3 338.423 2.277 20 10 EECDHM COc1ccc(N(C)CCN(C)C(=O)c2ccc(O)cc2[O-])cc1 ZINC000844851664 789426255 /nfs/dbraw/zinc/42/62/55/789426255.db2.gz DSRBQSZQEXNGGG-UHFFFAOYSA-N -1 3 330.384 2.315 20 10 EECDHM O=C(c1cccc(O)c1[O-])N1CCN(c2noc3ccccc32)CC1 ZINC001148213186 792245660 /nfs/dbraw/zinc/24/56/60/792245660.db2.gz ZUHULDLGDIOPSP-UHFFFAOYSA-N -1 3 339.351 2.201 20 10 EECDHM O=C(Nc1ccc2c(c1)C(=O)N(C1CC1)C2)c1cc(O)c([O-])c(O)c1 ZINC001148586323 792573349 /nfs/dbraw/zinc/57/33/49/792573349.db2.gz KSCYVYRDTDHXGN-UHFFFAOYSA-N -1 3 340.335 2.174 20 10 EECDHM CCc1[nH]nc(NC(=O)c2cccc(O)c2[O-])c1Br ZINC000790839178 808931516 /nfs/dbraw/zinc/93/15/16/808931516.db2.gz LSNCQRLSWXRRKS-UHFFFAOYSA-N -1 3 326.150 2.398 20 10 EECDHM [O-]c1c(Cl)cccc1C[NH2+]CCOc1ccc(-c2nn[n-]n2)cc1 ZINC000826510627 948432516 /nfs/dbraw/zinc/43/25/16/948432516.db2.gz BHRLFGNSMBZTTG-UHFFFAOYSA-N -1 3 345.790 2.394 20 10 EECDHM C[C@H]([NH2+][C@@H]1CCCC[C@H]1N1CCOCC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593222217 994332905 /nfs/dbraw/zinc/33/29/05/994332905.db2.gz ILJHUCRAIHQVMR-IAOVAPTHSA-N -1 3 348.443 2.384 20 10 EECDHM COc1cc(C)cc(CN[C@H]2CCCn3nc(C(=O)[O-])cc32)c1O ZINC001599392381 997061969 /nfs/dbraw/zinc/06/19/69/997061969.db2.gz NCSUGTYWBXEHSN-LBPRGKRZSA-N -1 3 331.372 2.229 20 10 EECDHM O=C(NCCc1ccc(C(F)(F)F)cn1)c1cccc(O)c1[O-] ZINC001522020390 1119301708 /nfs/dbraw/zinc/30/17/08/1119301708.db2.gz VUEJEESKKQNRQG-UHFFFAOYSA-N -1 3 326.274 2.484 20 10 EECDHM CNC(=O)CC1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000093587960 529846267 /nfs/dbraw/zinc/84/62/67/529846267.db2.gz IJRBASRHVGFUNP-UHFFFAOYSA-N -1 3 341.795 2.302 20 10 EECDHM O=C(CN(Cc1ccccc1[O-])C[C@@H]1CCCO1)Nc1nccs1 ZINC000070976165 463398382 /nfs/dbraw/zinc/39/83/82/463398382.db2.gz NJVNZCXLUIXYKQ-AWEZNQCLSA-N -1 3 347.440 2.468 20 10 EECDHM C[C@@H]([C@H]1CCOC1)N1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277407162 463914239 /nfs/dbraw/zinc/91/42/39/463914239.db2.gz ONRICZMGAPUZRV-QWRGUYRKSA-N -1 3 338.791 2.235 20 10 EECDHM O=C(c1cccc(O)c1[O-])N1CCC(c2nnc3n2CCCC3)CC1 ZINC000279090581 464036334 /nfs/dbraw/zinc/03/63/34/464036334.db2.gz AHCBFDBPLFAEKI-UHFFFAOYSA-N -1 3 342.399 2.045 20 10 EECDHM COc1c([O-])c(CN2C[C@@H](O)Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000279386477 464096176 /nfs/dbraw/zinc/09/61/76/464096176.db2.gz JSOJCIGRPUAIJJ-ZDUSSCGKSA-N -1 3 330.340 2.233 20 10 EECDHM CC[C@H]1[C@H](C)CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000187430636 464129480 /nfs/dbraw/zinc/12/94/80/464129480.db2.gz DPDZZLHTOBKNBS-MFKMUULPSA-N -1 3 326.418 2.024 20 10 EECDHM C[C@H]([NH2+]C[C@]([O-])(c1nccn1C)C(F)(F)F)c1ccc(F)cc1[O-] ZINC000273369980 464712895 /nfs/dbraw/zinc/71/28/95/464712895.db2.gz ANUPKCHRELHFEP-XPTSAGLGSA-N -1 3 347.312 2.366 20 10 EECDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@H]2c3ccccc3C[C@H]2O)c1 ZINC000273614677 464723392 /nfs/dbraw/zinc/72/33/92/464723392.db2.gz WZRKJBNWCZVTAE-PDSMFRHLSA-N -1 3 327.380 2.488 20 10 EECDHM COc1cc(Cl)cc(CN2CCN(c3ncccn3)CC2)c1[O-] ZINC000184672372 465017054 /nfs/dbraw/zinc/01/70/54/465017054.db2.gz VSTSEQMKIYWSTB-UHFFFAOYSA-N -1 3 334.807 2.166 20 10 EECDHM COc1cc(Cl)cc(CN(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)c1[O-] ZINC000184694364 465019432 /nfs/dbraw/zinc/01/94/32/465019432.db2.gz UDALOKNQPLMDFJ-VHSXEESVSA-N -1 3 335.853 2.308 20 10 EECDHM COc1c([O-])c(CN2C[C@@H](CO)Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000367800566 466538521 /nfs/dbraw/zinc/53/85/21/466538521.db2.gz UNPBMHSHPIQAAD-LBPRGKRZSA-N -1 3 344.367 2.480 20 10 EECDHM O=S1(=O)CCCN1[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000363754861 466597643 /nfs/dbraw/zinc/59/76/43/466597643.db2.gz VCYWHQMNMBOOGA-AWEZNQCLSA-N -1 3 344.864 2.046 20 10 EECDHM Cc1ccc(C(=O)N2CC[C@@]3(C2)C(=O)Nc2ccccc23)c([O-])c1O ZINC000364324219 466693881 /nfs/dbraw/zinc/69/38/81/466693881.db2.gz ZOQULPNOUMAOQF-IBGZPJMESA-N -1 3 338.363 2.142 20 10 EECDHM CCCOc1ccc(CN(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)c([O-])c1 ZINC000093421487 528661452 /nfs/dbraw/zinc/66/14/52/528661452.db2.gz JILRKMZOFZZGMZ-QWHCGFSZSA-N -1 3 329.462 2.434 20 10 EECDHM O=C(Nc1cccc(C(=O)N2CCOCC2)c1)c1cc([O-])cs1 ZINC000731871730 577129276 /nfs/dbraw/zinc/12/92/76/577129276.db2.gz LDSZNXDTYRDOOI-UHFFFAOYSA-N -1 3 332.381 2.178 20 10 EECDHM COc1ccnc(N2CCN(Cc3c([O-])cccc3OC)CC2)c1 ZINC000769332188 577575236 /nfs/dbraw/zinc/57/52/36/577575236.db2.gz KNNAWJHCUDGYNV-UHFFFAOYSA-N -1 3 329.400 2.127 20 10 EECDHM CC(C)(C)[C@@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000753223482 577783453 /nfs/dbraw/zinc/78/34/53/577783453.db2.gz SIFOSOOWLQKJTQ-LLVKDONJSA-N -1 3 340.445 2.272 20 10 EECDHM O=C(N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2c2ccccc2)C1)c1cc([O-])cs1 ZINC000743778631 577889796 /nfs/dbraw/zinc/88/97/96/577889796.db2.gz NDUOBFBRQLSSAU-BPLDGKMQSA-N -1 3 342.420 2.341 20 10 EECDHM Cc1cc(C(=O)N[C@H]2C[C@@H]2C)c(C)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000737233388 578244840 /nfs/dbraw/zinc/24/48/40/578244840.db2.gz CCYKDDYPRJWGRY-QFYYESIMSA-N -1 3 336.399 2.412 20 10 EECDHM Cc1cc(C(=O)N[C@H]2C[C@@H]2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737233388 578244841 /nfs/dbraw/zinc/24/48/41/578244841.db2.gz CCYKDDYPRJWGRY-QFYYESIMSA-N -1 3 336.399 2.412 20 10 EECDHM COc1ccc(O)c([C@H](C)NCC(=O)Nc2cccc(C(=O)[O-])c2)c1 ZINC000833734038 605128202 /nfs/dbraw/zinc/12/82/02/605128202.db2.gz ZVXTWZFVEBACCM-NSHDSACASA-N -1 3 344.367 2.388 20 10 EECDHM COc1cc(O)c(CNc2cccc(-c3nnn[n-]3)c2)cc1OC ZINC000826180870 609475298 /nfs/dbraw/zinc/47/52/98/609475298.db2.gz AQJAJVVIEGFSPT-UHFFFAOYSA-N -1 3 327.344 2.202 20 10 EECDHM COc1cc(O)c(CNc2cccc(-c3nn[n-]n3)c2)cc1OC ZINC000826180870 609475299 /nfs/dbraw/zinc/47/52/99/609475299.db2.gz AQJAJVVIEGFSPT-UHFFFAOYSA-N -1 3 327.344 2.202 20 10 EECDHM COc1ccc(O)c(CNc2cc(-c3nn[n-]n3)ccc2OC)c1 ZINC000826210311 609481774 /nfs/dbraw/zinc/48/17/74/609481774.db2.gz MIVAGKIMEPPHND-UHFFFAOYSA-N -1 3 327.344 2.202 20 10 EECDHM C[C@@H]1[C@@H](C)CCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000091743702 676657823 /nfs/dbraw/zinc/65/78/23/676657823.db2.gz WCSUVGOCVOXVEU-WDEREUQCSA-N -1 3 326.418 2.024 20 10 EECDHM CC[C@H](C)N1C[C@@]2(CC1=O)CCCCN2C(=O)c1cccc(O)c1[O-] ZINC001269687759 1184522220 /nfs/dbraw/zinc/52/22/20/1184522220.db2.gz ZMWDCWAESSFJRK-DJJJIMSYSA-N -1 3 346.427 2.494 20 10 EECDHM CCCCN1C[C@@]2(F)CN(Cc3cc(F)ccc3[O-])C[C@@]2(F)C1=O ZINC001273286084 1197956358 /nfs/dbraw/zinc/95/63/58/1197956358.db2.gz YKNVSRQEOZKQCJ-DLBZAZTESA-N -1 3 342.361 2.406 20 10 EECDHM CCn1ccnc1CN1C[C@H]2C[C@@H](C1)N2Cc1c([O-])cccc1F ZINC001276354115 1213898769 /nfs/dbraw/zinc/89/87/69/1213898769.db2.gz IARYUUBMYWRQQN-OKILXGFUSA-N -1 3 330.407 2.206 20 10 EECDHM O=S(=O)([N-]c1ccc(O)cc1Cl)c1cnc2n1CCCC2 ZINC000901937974 1236674642 /nfs/dbraw/zinc/67/46/42/1236674642.db2.gz UFXRCZQTHSWOCC-UHFFFAOYSA-N -1 3 327.793 2.379 20 10 EECDHM CC(=O)c1cc(Cl)cc(CN2CC[C@H]3NC(=O)CC[C@H]3C2)c1[O-] ZINC000391436872 1253608936 /nfs/dbraw/zinc/60/89/36/1253608936.db2.gz GDBLDFCDWUHAQK-XHDPSFHLSA-N -1 3 336.819 2.349 20 10 EECDHM CC(=O)c1cc(F)cc(CN2CCC(OC(=O)N(C)C)CC2)c1[O-] ZINC000815190396 1278073016 /nfs/dbraw/zinc/07/30/16/1278073016.db2.gz VJGYKAROZOFSNP-UHFFFAOYSA-N -1 3 338.379 2.397 20 10 EECDHM Cc1oncc1S(=O)(=O)[N-]Cc1ccc(N2CCCCC2)cc1 ZINC001187389844 1279538507 /nfs/dbraw/zinc/53/85/07/1279538507.db2.gz ANFKWDXXECVBST-UHFFFAOYSA-N -1 3 335.429 2.452 20 10 EECDHM CCN(Cc1ccc(Br)cc1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000691679467 1280257840 /nfs/dbraw/zinc/25/78/40/1280257840.db2.gz ROXCZVNMIGYZOJ-LBPRGKRZSA-N -1 3 348.262 2.164 20 10 EECDHM C[C@H]([N-]S(=O)(=O)c1ccc(F)nc1F)c1ccc(N(C)C)cc1 ZINC000867126479 1283690146 /nfs/dbraw/zinc/69/01/46/1283690146.db2.gz ZOOMUPCDJOOVRK-JTQLQIEISA-N -1 3 341.383 2.465 20 10 EECDHM C[C@H](NC(=O)[C@@]12C[C@@H]1CCN2Cc1c([O-])cccc1F)c1ncc[nH]1 ZINC001277484516 1303614008 /nfs/dbraw/zinc/61/40/08/1303614008.db2.gz QGLPOMNHCUBWGS-OAVHHTNSSA-N -1 3 344.390 2.096 20 10 EECDHM COc1cc(C(=O)N(C)C)ccc1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000780958986 1303715187 /nfs/dbraw/zinc/71/51/87/1303715187.db2.gz JZHGZZRERYBGLA-UHFFFAOYSA-N -1 3 344.367 2.369 20 10 EECDHM CCOC(=O)N1CCN(Cc2ccc(Br)cc2[O-])CC1 ZINC000691674523 1303785359 /nfs/dbraw/zinc/78/53/59/1303785359.db2.gz FVIVMVQBZUQRGC-UHFFFAOYSA-N -1 3 343.221 2.429 20 10 EECDHM C[C@H]1COCCN1Cc1ccc(I)cc1[O-] ZINC001232974407 1304312602 /nfs/dbraw/zinc/31/26/02/1304312602.db2.gz MYKIGVUIBIKLGK-VIFPVBQESA-N -1 3 333.169 2.218 20 10 EECDHM C[C@@H]1CC[C@@H](O)CN1Cc1ccc(I)cc1[O-] ZINC001232973916 1304312656 /nfs/dbraw/zinc/31/26/56/1304312656.db2.gz DYYUBQZNAWMHIE-BXKDBHETSA-N -1 3 347.196 2.342 20 10 EECDHM O=c1c2cc(O)c(O)cc2oc2cc([O-])cc(O[C@@H]3COC[C@H]3F)c12 ZINC001234745323 1305017163 /nfs/dbraw/zinc/01/71/63/1305017163.db2.gz BSKINORNTJYAJV-RFAUZJTJSA-N -1 3 348.282 2.179 20 10 EECDHM [O-]c1c(I)cccc1CN1C[C@@H]2CCO[C@@H]2C1 ZINC001237784726 1306091674 /nfs/dbraw/zinc/09/16/74/1306091674.db2.gz XWOCMRPFTIXCHH-JOYOIKCWSA-N -1 3 345.180 2.218 20 10 EECDHM [O-]c1c(I)cccc1CN1CC[C@H]2OCC[C@H]21 ZINC001237777124 1306085037 /nfs/dbraw/zinc/08/50/37/1306085037.db2.gz NCQDLJHUSBBFKO-VXGBXAGGSA-N -1 3 345.180 2.360 20 10 EECDHM CN1CCN(c2ccc(C=C3SC(=S)[N-]C3=O)cc2F)CC1 ZINC001319136012 1332654785 /nfs/dbraw/zinc/65/47/85/1332654785.db2.gz JQTOJIUVFLHXNW-LCYFTJDESA-N -1 3 337.445 2.066 20 10 EECDHM C[C@H]([NH2+][C@H]1CCC[C@@H](C(=O)N(C)C)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609781039 1352084568 /nfs/dbraw/zinc/08/45/68/1352084568.db2.gz VKNBFSIQNAFOMM-SCRDCRAPSA-N -1 3 334.416 2.388 20 10 EECDHM CC[C@@H]([NH2+][C@H](C)CN(CC)CC)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590462728 1349337934 /nfs/dbraw/zinc/33/79/34/1349337934.db2.gz RZEYOSDNLJYBJN-IUODEOHRSA-N -1 3 332.452 2.343 20 10 EECDHM CC[C@H]([NH2+][C@H](C)CN(CC)CC)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590462726 1349338588 /nfs/dbraw/zinc/33/85/88/1349338588.db2.gz RZEYOSDNLJYBJN-DOMZBBRYSA-N -1 3 332.452 2.343 20 10 EECDHM CC[C@H]([NH2+]C[C@@H](O)c1ccccc1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590463084 1349338749 /nfs/dbraw/zinc/33/87/49/1349338749.db2.gz GVJBBGKBWYNLEL-JKSUJKDBSA-N -1 3 339.399 2.347 20 10 EECDHM C[C@@H]([NH2+]CCN1CCCC[C@@H]1C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603662713 1350736798 /nfs/dbraw/zinc/73/67/98/1350736798.db2.gz NXBJBHLRIYCGIC-QWHCGFSZSA-N -1 3 330.436 2.097 20 10 EECDHM CC[C@@H]([NH2+]CCN1CCC[C@@H]1C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604053057 1350840264 /nfs/dbraw/zinc/84/02/64/1350840264.db2.gz ATELGKYJGGVEHZ-SWLSCSKDSA-N -1 3 330.436 2.097 20 10 EECDHM CC[C@H]([NH2+][C@H]1CCC[C@H](CO)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604052576 1350840438 /nfs/dbraw/zinc/84/04/38/1350840438.db2.gz CGJHFZOHDNFXCK-HUBLWGQQSA-N -1 3 331.420 2.164 20 10 EECDHM CCOC(=O)[C@H]1CNCCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000088658241 1356826236 /nfs/dbraw/zinc/82/62/36/1356826236.db2.gz TWZLMNSZCARTDL-GFCCVEGCSA-N -1 3 333.215 2.036 20 10 EECDHM CCOCCOC1CN(Cc2c([O-])cccc2Br)C1 ZINC000862302241 1369529964 /nfs/dbraw/zinc/52/99/64/1369529964.db2.gz YZAHSIZRENPUOH-UHFFFAOYSA-N -1 3 330.222 2.392 20 10 EECDHM COc1cccc(CNc2cc(-c3nnn[n-]3)ccc2C(C)=O)c1O ZINC001591639451 1403933288 /nfs/dbraw/zinc/93/32/88/1403933288.db2.gz LGXSAQWGNIFVBS-UHFFFAOYSA-N -1 3 339.355 2.396 20 10 EECDHM COc1cccc(CNc2cc(-c3nn[n-]n3)ccc2C(C)=O)c1O ZINC001591639451 1403933292 /nfs/dbraw/zinc/93/32/92/1403933292.db2.gz LGXSAQWGNIFVBS-UHFFFAOYSA-N -1 3 339.355 2.396 20 10 EECDHM Cc1cc([O-])c(CN2CCN(Cc3cnn(C)c3)CC2)cc1Cl ZINC000824694704 788278114 /nfs/dbraw/zinc/27/81/14/788278114.db2.gz QPQKMQUACVITSV-UHFFFAOYSA-N -1 3 334.851 2.405 20 10 EECDHM Nc1cccc(-c2cccc(NC(=O)c3cc(O)c([O-])c(O)c3)n2)n1 ZINC001148581203 792566602 /nfs/dbraw/zinc/56/66/02/792566602.db2.gz PAIZGWPHVWMMPC-UHFFFAOYSA-N -1 3 338.323 2.095 20 10 EECDHM O=C(NC1CC1)N[C@H]1CCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792175072 809638479 /nfs/dbraw/zinc/63/84/79/809638479.db2.gz MVGVZIHCLDZUIX-JTQLQIEISA-N -1 3 327.787 2.221 20 10 EECDHM C[C@@H](N[C@@H](C(=O)[O-])c1cccnc1)c1ccc(N2CCOCC2)cc1 ZINC000827717200 978964294 /nfs/dbraw/zinc/96/42/94/978964294.db2.gz FFVYBKQTPDNUQN-RDTXWAMCSA-N -1 3 341.411 2.395 20 10 EECDHM C[C@H]([NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)c1cc(C(=O)[O-])ccc1[O-] ZINC001593249119 994476323 /nfs/dbraw/zinc/47/63/23/994476323.db2.gz WHOZJNJNFZAWKQ-QUBYGPBYSA-N -1 3 343.248 2.300 20 10 EECDHM C[C@H](C(=O)NC(=O)NC1CCCCC1)N(C)Cc1ccccc1[O-] ZINC000109769609 237133919 /nfs/dbraw/zinc/13/39/19/237133919.db2.gz ONRTVJUPNBEEJR-CYBMUJFWSA-N -1 3 333.432 2.371 20 10 EECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]2C2CCC2)c1 ZINC000094105857 533421695 /nfs/dbraw/zinc/42/16/95/533421695.db2.gz SAEWLNYLZFPVOX-AWEZNQCLSA-N -1 3 338.429 2.168 20 10 EECDHM COc1cccc(CN2CCN(C(=O)c3cccc([O-])c3)CC2)c1O ZINC000092937749 533481199 /nfs/dbraw/zinc/48/11/99/533481199.db2.gz OSYAVVDQQBSZRD-UHFFFAOYSA-N -1 3 342.395 2.064 20 10 EECDHM CCOc1ccc(CNC(c2nccn2C)c2nccn2C)c([O-])c1 ZINC000527752239 317256112 /nfs/dbraw/zinc/25/61/12/317256112.db2.gz DHPSQEXLUYRUII-UHFFFAOYSA-N -1 3 341.415 2.137 20 10 EECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@H]1CSCN1 ZINC000121490502 463144322 /nfs/dbraw/zinc/14/43/22/463144322.db2.gz RBFJSPNOCXGSRN-LLVKDONJSA-N -1 3 345.262 2.166 20 10 EECDHM CC[C@@H](NCc1ccc([N+](=O)[O-])c(OC)c1[O-])[C@H](O)C(F)(F)F ZINC000278493256 463967587 /nfs/dbraw/zinc/96/75/87/463967587.db2.gz LVVRCSVMOXMYQT-PELKAZGASA-N -1 3 338.282 2.100 20 10 EECDHM CCN(C[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])C1)CC(F)(F)F ZINC000187163293 464102881 /nfs/dbraw/zinc/10/28/81/464102881.db2.gz LFGUVALEHHUUGN-NSHDSACASA-N -1 3 346.349 2.444 20 10 EECDHM COc1c([O-])c(CN(C)C[C@@H](O)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000294069556 464432416 /nfs/dbraw/zinc/43/24/16/464432416.db2.gz YKEBOJQHFQPMML-HNNXBMFYSA-N -1 3 346.383 2.344 20 10 EECDHM CC(C)C[C@@H](NC(=O)c1cccc(O)c1[O-])C(=O)Nc1nccs1 ZINC000275130206 464764875 /nfs/dbraw/zinc/76/48/75/464764875.db2.gz NPQHHHPYMOQYMG-LLVKDONJSA-N -1 3 349.412 2.338 20 10 EECDHM CC(=O)c1cc(F)cc(CN2CCN(Cc3ccccn3)CC2)c1[O-] ZINC000177239047 464966992 /nfs/dbraw/zinc/96/69/92/464966992.db2.gz FKKZIJWQLWUJOI-UHFFFAOYSA-N -1 3 343.402 2.447 20 10 EECDHM CC(=O)c1cc(F)cc(CN2CCNC(=O)[C@H]2c2cccs2)c1[O-] ZINC000370217212 466800302 /nfs/dbraw/zinc/80/03/02/466800302.db2.gz XWLNSRWIKSJCKC-OAHLLOKOSA-N -1 3 348.399 2.469 20 10 EECDHM COC(=O)CN(Cc1cnc(C)nc1)Cc1cc(Cl)ccc1[O-] ZINC000732202778 577156246 /nfs/dbraw/zinc/15/62/46/577156246.db2.gz BXYRUGVEHVHBBJ-UHFFFAOYSA-N -1 3 335.791 2.319 20 10 EECDHM COc1c([O-])c(CNc2ccc3c(c2)C(=O)NC3)ccc1[N+](=O)[O-] ZINC000775047817 577427812 /nfs/dbraw/zinc/42/78/12/577427812.db2.gz DJWVCISMJUQMTP-UHFFFAOYSA-N -1 3 329.312 2.165 20 10 EECDHM CCc1cc(=O)[n-]c(CN[C@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000775256332 577433719 /nfs/dbraw/zinc/43/37/19/577433719.db2.gz WLSDTXLOOGQPCF-CQSZACIVSA-N -1 3 342.443 2.432 20 10 EECDHM Cc1cc(CNC(=O)NCc2cccc(Br)c2[O-])n[nH]1 ZINC000764786140 577488493 /nfs/dbraw/zinc/48/84/93/577488493.db2.gz ZOAISUQZQXYDOW-UHFFFAOYSA-N -1 3 339.193 2.186 20 10 EECDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1cnco1 ZINC000760177642 577658333 /nfs/dbraw/zinc/65/83/33/577658333.db2.gz KIKWDYPMZZIAIA-CYBMUJFWSA-N -1 3 335.791 2.428 20 10 EECDHM C[C@H](NCCS(=O)(=O)NC(C)(C)C)c1cc(F)cc(F)c1[O-] ZINC000756481559 577844824 /nfs/dbraw/zinc/84/48/24/577844824.db2.gz BTVDAGFNWQJMKY-VIFPVBQESA-N -1 3 336.404 2.039 20 10 EECDHM Cc1nc(C)c(CC(=O)NCc2c(O)ccc3c2CCCC3)c(=O)[n-]1 ZINC000743715682 577889246 /nfs/dbraw/zinc/88/92/46/577889246.db2.gz BBGFOUUXDJJHBF-UHFFFAOYSA-N -1 3 341.411 2.242 20 10 EECDHM O=C1C(=Cc2ccc(-c3nnn[n-]3)s2)SC(=S)N1C1CC1 ZINC000823504483 606394475 /nfs/dbraw/zinc/39/44/75/606394475.db2.gz QRWBMFYOSBJWAN-WEVVVXLNSA-N -1 3 335.439 2.292 20 10 EECDHM Cc1ccc(C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)c(O)c1O ZINC000822227909 606999196 /nfs/dbraw/zinc/99/91/96/606999196.db2.gz ZUIPJSNQRBNFKN-UHFFFAOYSA-N -1 3 344.302 2.082 20 10 EECDHM Cc1ccc(C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)c(O)c1O ZINC000822227909 606999198 /nfs/dbraw/zinc/99/91/98/606999198.db2.gz ZUIPJSNQRBNFKN-UHFFFAOYSA-N -1 3 344.302 2.082 20 10 EECDHM COc1cccc(C[N-]S(=O)(=O)c2cc(F)c(F)cc2F)c1O ZINC000161113804 676920711 /nfs/dbraw/zinc/92/07/11/676920711.db2.gz DVXKOEPTULIVRQ-UHFFFAOYSA-N -1 3 347.314 2.297 20 10 EECDHM COC[C@@H]1CN(Cc2ccc(Br)cc2[O-])C[C@H](C)O1 ZINC000825633979 1198428200 /nfs/dbraw/zinc/42/82/00/1198428200.db2.gz GVELXXCGCQHHDH-GWCFXTLKSA-N -1 3 330.222 2.390 20 10 EECDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@@H]1CCO[C@H]1C ZINC000878243297 1200348082 /nfs/dbraw/zinc/34/80/82/1200348082.db2.gz ZAWJUJUAFAXRPE-RYUDHWBXSA-N -1 3 327.808 2.446 20 10 EECDHM CNS(=O)(=O)c1cccc(CN[C@H](C)c2c([O-])cccc2F)c1 ZINC000886510162 1202516289 /nfs/dbraw/zinc/51/62/89/1202516289.db2.gz WMWKPVGWVMZUFV-LLVKDONJSA-N -1 3 338.404 2.290 20 10 EECDHM [O-]c1cc(F)cc(F)c1CN1C[C@@H]2CN(C3CCCC3)C[C@H](C1)O2 ZINC001275306411 1205304427 /nfs/dbraw/zinc/30/44/27/1205304427.db2.gz HKSSNRMUPNDOPC-GASCZTMLSA-N -1 3 338.398 2.498 20 10 EECDHM O=C(Nc1cccnc1)N1C[C@H]2C[C@@H](C1)N2Cc1cc(F)ccc1[O-] ZINC001275913476 1205583279 /nfs/dbraw/zinc/58/32/79/1205583279.db2.gz NQZLPJHQJNVRPP-IYBDPMFKSA-N -1 3 342.374 2.417 20 10 EECDHM COc1cc([O-])c(C(=O)N2CCc3cccc(O)c3C2)c(OC)c1 ZINC001190129681 1280701939 /nfs/dbraw/zinc/70/19/39/1280701939.db2.gz NPWYMPWRUIXSJC-UHFFFAOYSA-N -1 3 329.352 2.314 20 10 EECDHM C[C@H]1CN(Cc2ccc(I)cc2[O-])CCO1 ZINC001232976910 1304312897 /nfs/dbraw/zinc/31/28/97/1304312897.db2.gz ZUIHGRSOCJETGJ-VIFPVBQESA-N -1 3 333.169 2.218 20 10 EECDHM O=C1CCOc2cc(-c3noc(-c4cc(O)c([O-])c(O)c4)n3)ccc21 ZINC001215327700 1296824864 /nfs/dbraw/zinc/82/48/64/1296824864.db2.gz OZBFCQBXOZTVSW-UHFFFAOYSA-N -1 3 340.291 2.486 20 10 EECDHM CC(C)(C)OC(=O)NCC1CN(Cc2ccc(C(=O)[O-])cc2O)C1 ZINC001231446518 1303798778 /nfs/dbraw/zinc/79/87/78/1303798778.db2.gz JRNDGBHLAMHYPV-UHFFFAOYSA-N -1 3 336.388 2.047 20 10 EECDHM Cc1ccnc(OC2CC[NH+](Cc3ccc(C(=O)[O-])cc3[O-])CC2)n1 ZINC001231454006 1303803036 /nfs/dbraw/zinc/80/30/36/1303803036.db2.gz SKAPURHFUCVCMN-UHFFFAOYSA-N -1 3 343.383 2.232 20 10 EECDHM [O-]c1cc(I)ccc1CN1CC(C2COC2)C1 ZINC001232974323 1304312047 /nfs/dbraw/zinc/31/20/47/1304312047.db2.gz KZMUFIHIFRKHFE-UHFFFAOYSA-N -1 3 345.180 2.075 20 10 EECDHM COc1cc([O-])c(CN(C)Cc2noc(C)n2)c(Br)c1 ZINC001237065453 1305784038 /nfs/dbraw/zinc/78/40/38/1305784038.db2.gz PCJCXMBTIARLBF-UHFFFAOYSA-N -1 3 342.193 2.487 20 10 EECDHM O=S(=O)([N-]CCc1ccc(O)c(O)c1)c1cc(Cl)ccc1F ZINC001259459691 1319581494 /nfs/dbraw/zinc/58/14/94/1319581494.db2.gz CISMEJFJPXONNE-UHFFFAOYSA-N -1 3 345.779 2.411 20 10 EECDHM CCNC(=O)[C@@H]1CCCN1Cc1cc(Br)ccc1[O-] ZINC001203648835 1321931533 /nfs/dbraw/zinc/93/15/33/1321931533.db2.gz WSRLRBPNBVBINL-LBPRGKRZSA-N -1 3 327.222 2.255 20 10 EECDHM C[C@@H]1NC(=O)[C@H](C)N(Cc2c([O-])cccc2Br)[C@H]1C ZINC001308846024 1331605765 /nfs/dbraw/zinc/60/57/65/1331605765.db2.gz XUCPDJMTZQSRDQ-GUBZILKMSA-N -1 3 327.222 2.252 20 10 EECDHM C[C@H]([NH2+]CC1(N(C)C)CCCC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589978784 1349090935 /nfs/dbraw/zinc/09/09/35/1349090935.db2.gz QDHDIAVHKKLFII-LBPRGKRZSA-N -1 3 330.436 2.097 20 10 EECDHM C[C@H](O)c1ccc(C[NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2[O-])cc1 ZINC001590002743 1349102565 /nfs/dbraw/zinc/10/25/65/1349102565.db2.gz GTJHBTORVFOZSH-RYUDHWBXSA-N -1 3 339.399 2.476 20 10 EECDHM CC[C@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H]1C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590466655 1349341597 /nfs/dbraw/zinc/34/15/97/1349341597.db2.gz LJLDSPZHMKRVJD-FJJYHAOUSA-N -1 3 331.420 2.427 20 10 EECDHM O=C([C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1)N1Cc2cccc(O)c2C1 ZINC001593313045 1349777563 /nfs/dbraw/zinc/77/75/63/1349777563.db2.gz GINHRMQEJTYZNH-LSDHHAIUSA-N -1 3 347.378 2.218 20 10 EECDHM O=C([C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1)N1Cc2cccc(O)c2C1 ZINC001593313045 1349777567 /nfs/dbraw/zinc/77/75/67/1349777567.db2.gz GINHRMQEJTYZNH-LSDHHAIUSA-N -1 3 347.378 2.218 20 10 EECDHM CN(C)c1ccc(CN(C)C(=O)c2nnc3ccccc3c2[O-])cc1 ZINC000109933710 1369243613 /nfs/dbraw/zinc/24/36/13/1369243613.db2.gz YCHJDKWIFRAHKT-UHFFFAOYSA-N -1 3 336.395 2.261 20 10 EECDHM COc1ccnc(OC2CCN(Cc3c([O-])cccc3F)CC2)n1 ZINC001137841646 1372282454 /nfs/dbraw/zinc/28/24/54/1372282454.db2.gz NZIZUUUNJCONTJ-UHFFFAOYSA-N -1 3 333.363 2.373 20 10 EECDHM CN(Cc1ccc(C(=O)[O-])n1C)Cc1ccc(N2CCOCC2)cc1 ZINC001606160664 1404771082 /nfs/dbraw/zinc/77/10/82/1404771082.db2.gz WBLUKDCVAFRNDP-UHFFFAOYSA-N -1 3 343.427 2.192 20 10 EECDHM C[C@@H]1[C@H](C)[S@](=O)CCN1Cc1ccc(Br)cc1[O-] ZINC000824850331 788322355 /nfs/dbraw/zinc/32/23/55/788322355.db2.gz LRCFMJGFJWNSSZ-AUSHCKSDSA-N -1 3 332.263 2.496 20 10 EECDHM COC(=O)[C@H]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@@H]1C ZINC000787421453 807108977 /nfs/dbraw/zinc/10/89/77/807108977.db2.gz RCAMGUYXWPBPIA-KCJUWKMLSA-N -1 3 328.752 2.337 20 10 EECDHM C[C@@H](NCc1nnc2n1CCOC2)c1cccc(C(F)(F)F)c1[O-] ZINC000788781510 807696509 /nfs/dbraw/zinc/69/65/09/807696509.db2.gz GXLNSVOHIMJGMU-SECBINFHSA-N -1 3 342.321 2.384 20 10 EECDHM CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)c1cccc(O)c1[O-] ZINC000790903357 808989268 /nfs/dbraw/zinc/98/92/68/808989268.db2.gz AQEUDOABYXNHEI-GFCCVEGCSA-N -1 3 349.408 2.080 20 10 EECDHM COCCNC(=O)C1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000792162965 809628825 /nfs/dbraw/zinc/62/88/25/809628825.db2.gz SRULGHADHAMMRG-UHFFFAOYSA-N -1 3 344.814 2.159 20 10 EECDHM CN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@@H]1CCC(C)(C)C1 ZINC000794273373 810744780 /nfs/dbraw/zinc/74/47/80/810744780.db2.gz FUFXIASPKJEAJK-GFCCVEGCSA-N -1 3 340.445 2.414 20 10 EECDHM Cc1[nH]c(CN(C)Cc2ccc(N3CCOCC3)cc2)cc1C(=O)[O-] ZINC001599963099 985831918 /nfs/dbraw/zinc/83/19/18/985831918.db2.gz XGQJDKMIOOZHCW-UHFFFAOYSA-N -1 3 343.427 2.490 20 10 EECDHM COc1ccc2c(c1)OCCN(C(=O)c1ccc(C)c(O)c1[O-])C2 ZINC000374765081 533280927 /nfs/dbraw/zinc/28/09/27/533280927.db2.gz SJZCEPHJXFMXOL-UHFFFAOYSA-N -1 3 329.352 2.450 20 10 EECDHM CCn1nncc1CNCc1cc(Br)cc(OC)c1[O-] ZINC000527726649 317252528 /nfs/dbraw/zinc/25/25/28/317252528.db2.gz JOAPERBQUMVNIF-UHFFFAOYSA-N -1 3 341.209 2.065 20 10 EECDHM CC[C@H]1CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000117422567 462803519 /nfs/dbraw/zinc/80/35/19/462803519.db2.gz VKCGOODZEYVELF-LBPRGKRZSA-N -1 3 340.445 2.416 20 10 EECDHM CNC(=O)[C@@H]1CCCCN1Cc1cc(Br)ccc1[O-] ZINC000133050212 462896621 /nfs/dbraw/zinc/89/66/21/462896621.db2.gz AODWNVGKMKCOBQ-LBPRGKRZSA-N -1 3 327.222 2.255 20 10 EECDHM CCCOc1ccc(CN2CCN(c3ncccn3)CC2)c([O-])c1 ZINC000158826478 463253790 /nfs/dbraw/zinc/25/37/90/463253790.db2.gz FYLIJYVGFDHFFK-UHFFFAOYSA-N -1 3 328.416 2.293 20 10 EECDHM O=C(c1cccc(O)c1[O-])N1CCO[C@]2(CCc3ccccc32)C1 ZINC000185887096 463898972 /nfs/dbraw/zinc/89/89/72/463898972.db2.gz ALXOJECIYDAEPT-LJQANCHMSA-N -1 3 325.364 2.412 20 10 EECDHM Cc1cc(N2CC[C@@H](N[C@@H](C)c3ccc(F)cc3[O-])C2=O)n(C)n1 ZINC000186083209 463933976 /nfs/dbraw/zinc/93/39/76/463933976.db2.gz XGDJZYCAJOVMDV-SMDDNHRTSA-N -1 3 332.379 2.029 20 10 EECDHM COc1c([O-])c(CNCc2cccc3c2OCO3)ccc1[N+](=O)[O-] ZINC000278945971 464012023 /nfs/dbraw/zinc/01/20/23/464012023.db2.gz YMZVWHIJMQITHJ-UHFFFAOYSA-N -1 3 332.312 2.328 20 10 EECDHM COc1cccc(C(=O)N2CCN(Cc3ccccc3[O-])CC2)c1 ZINC000179558749 464156055 /nfs/dbraw/zinc/15/60/55/464156055.db2.gz NUDFZZXEDZOMPL-UHFFFAOYSA-N -1 3 326.396 2.359 20 10 EECDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)CC[C@H](C)OC ZINC000272955592 464696167 /nfs/dbraw/zinc/69/61/67/464696167.db2.gz QYTDITIHJJWXAM-NSHDSACASA-N -1 3 343.807 2.362 20 10 EECDHM CC(=O)CCC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000367079954 466115608 /nfs/dbraw/zinc/11/56/08/466115608.db2.gz XUSGWOQLIAWYGL-OAHLLOKOSA-N -1 3 338.835 2.495 20 10 EECDHM Cc1ccccc1[C@@H]1C(=O)NCCN1Cc1cc2c(cc1[O-])OCO2 ZINC000368281405 466594309 /nfs/dbraw/zinc/59/43/09/466594309.db2.gz BQXYBYHIVDVQKT-GOSISDBHSA-N -1 3 340.379 2.102 20 10 EECDHM O=C(NCc1cc(Br)ccc1[O-])NCC12CC(C1)CO2 ZINC000528237477 467678048 /nfs/dbraw/zinc/67/80/48/467678048.db2.gz QVSIMGKEBWNPKH-UHFFFAOYSA-N -1 3 341.205 2.133 20 10 EECDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000040817271 526770946 /nfs/dbraw/zinc/77/09/46/526770946.db2.gz ZDHWWJIVHMKPSZ-LBPRGKRZSA-N -1 3 338.367 2.160 20 10 EECDHM O=C(NCc1ccccc1CN1CCOCC1)c1cc([O-])cs1 ZINC000731864186 577128506 /nfs/dbraw/zinc/12/85/06/577128506.db2.gz NMMIYQHNKAKUPA-UHFFFAOYSA-N -1 3 332.425 2.216 20 10 EECDHM CN1CCN(Cc2ccc(NC(=O)c3cc([O-])cs3)cc2)CC1 ZINC000732268838 577162329 /nfs/dbraw/zinc/16/23/29/577162329.db2.gz CVBOEXLVILRVCQ-UHFFFAOYSA-N -1 3 331.441 2.453 20 10 EECDHM COc1c([O-])c([C@@H]2NC(=O)c3cccc(C)c3N2)ccc1[N+](=O)[O-] ZINC000772176121 577256037 /nfs/dbraw/zinc/25/60/37/577256037.db2.gz IJPYFAWAGJEUSC-HNNXBMFYSA-N -1 3 329.312 2.472 20 10 EECDHM O=C(Nc1ccc(NC(=O)[C@H]2CCCO2)cc1)c1cccc(O)c1[O-] ZINC000776328870 577457754 /nfs/dbraw/zinc/45/77/54/577457754.db2.gz WXRSDFYIVLPRKR-OAHLLOKOSA-N -1 3 342.351 2.468 20 10 EECDHM CCOc1ccc(CN2CCS(=O)(=O)[C@@H]3CCCC[C@H]32)c([O-])c1 ZINC000769411073 577577316 /nfs/dbraw/zinc/57/73/16/577577316.db2.gz GRKGMGDYTTYSPY-NVXWUHKLSA-N -1 3 339.457 2.333 20 10 EECDHM C[C@]1(CN2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)CCOC1 ZINC000761276901 577681023 /nfs/dbraw/zinc/68/10/23/577681023.db2.gz HQBLNYPQAMUNJH-MRXNPFEDSA-N -1 3 338.791 2.236 20 10 EECDHM O=C(c1cc([O-])cs1)N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC000754026698 577798846 /nfs/dbraw/zinc/79/88/46/577798846.db2.gz WIAQLDXXRVZSEE-UHFFFAOYSA-N -1 3 329.443 2.027 20 10 EECDHM CCN(CC)c1ccc(CN[C@H](Cn2cc(C)cn2)C(=O)[O-])cc1 ZINC000756386720 577843107 /nfs/dbraw/zinc/84/31/07/577843107.db2.gz IXUVLDYWVZNRLQ-QGZVFWFLSA-N -1 3 330.432 2.281 20 10 EECDHM CCNS(=O)(=O)CCN[C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000756709906 577849132 /nfs/dbraw/zinc/84/91/32/577849132.db2.gz ZXFVGWNMLWOHQB-QMMMGPOBSA-N -1 3 341.260 2.289 20 10 EECDHM COc1cnc(O[C@@H]2CCN(Cc3cc(F)c(F)cc3[O-])C2)nc1 ZINC001142530355 1188235313 /nfs/dbraw/zinc/23/53/13/1188235313.db2.gz FYHLVLDIYFUHMK-LLVKDONJSA-N -1 3 337.326 2.122 20 10 EECDHM O=C1CO[C@@]2(CCN(Cc3c([O-])cccc3F)C2)CN1C1CCCC1 ZINC001273265992 1197889208 /nfs/dbraw/zinc/88/92/08/1197889208.db2.gz PIHNXDSJKDJUBH-LJQANCHMSA-N -1 3 348.418 2.277 20 10 EECDHM C[C@@H]1CC[C@@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C[C@H]1C ZINC000248499117 1214837051 /nfs/dbraw/zinc/83/70/51/1214837051.db2.gz MQOBPVAKOONYME-IJLUTSLNSA-N -1 3 340.445 2.318 20 10 EECDHM O=C1OCCN1[C@H]1CCN(Cc2ccc(Br)cc2[O-])C1 ZINC000827000044 1249062957 /nfs/dbraw/zinc/06/29/57/1249062957.db2.gz GWGPOGQWKRYOLV-LBPRGKRZSA-N -1 3 341.205 2.181 20 10 EECDHM O=C(c1ccc(=O)[n-]c1Cl)N1CCCc2cc(O)c(O)cc2C1 ZINC001190910671 1281147042 /nfs/dbraw/zinc/14/70/42/1281147042.db2.gz UWXBRUCTLXZPBI-UHFFFAOYSA-N -1 3 334.759 2.440 20 10 EECDHM O=C1CCC(S(=O)(=O)Nc2ccc([O-])c(Br)c2)CC1 ZINC001194794036 1283286583 /nfs/dbraw/zinc/28/65/83/1283286583.db2.gz GBNHXPVJOPEGOM-UHFFFAOYSA-N -1 3 348.218 2.408 20 10 EECDHM CCS(=O)(CC)=NS(=O)(=O)[N-][C@@H](C)c1ccc(N(C)C)cc1 ZINC000867125909 1283688773 /nfs/dbraw/zinc/68/87/73/1283688773.db2.gz PMPWQKGYPFFMIR-LBPRGKRZSA-N -1 3 347.506 2.156 20 10 EECDHM O=c1[n-]ccc(NCc2ccc(N3CCOCC3)c(F)c2)c1[N+](=O)[O-] ZINC000853195823 1292317061 /nfs/dbraw/zinc/31/70/61/1292317061.db2.gz WCIBBGDXMLWYJN-UHFFFAOYSA-N -1 3 348.334 2.283 20 10 EECDHM O=C(NC[C@H]1CCN1Cc1ccccc1)c1c(F)ccc(O)c1[O-] ZINC000857338948 1293797414 /nfs/dbraw/zinc/79/74/14/1293797414.db2.gz KMARQMSMJSJLCZ-CYBMUJFWSA-N -1 3 330.359 2.241 20 10 EECDHM CC(C)OC[C@H](CO)N(C)Cc1c([O-])cccc1Br ZINC000862368718 1295810782 /nfs/dbraw/zinc/81/07/82/1295810782.db2.gz LRKQYVRFHVLCPF-NSHDSACASA-N -1 3 332.238 2.372 20 10 EECDHM O=C1OC[C@H](COc2cccc3c2C(=O)c2c([O-])cccc2C3=O)O1 ZINC001226380453 1301388434 /nfs/dbraw/zinc/38/84/34/1301388434.db2.gz VPJDVYLZPZXVGK-VIFPVBQESA-N -1 3 340.287 2.082 20 10 EECDHM O=C1OC[C@H](COc2cccc3c2C(=O)c2cccc([O-])c2C3=O)O1 ZINC001229186857 1302662692 /nfs/dbraw/zinc/66/26/92/1302662692.db2.gz QNQYNPGGJANXKK-VIFPVBQESA-N -1 3 340.287 2.082 20 10 EECDHM O=C([O-])c1ccc([O-])c(C[N@@H+]2CCC[C@@H](C(=O)N3CCCCC3)C2)c1 ZINC001231564064 1303848456 /nfs/dbraw/zinc/84/84/56/1303848456.db2.gz NRUMKLAWZIPBHH-OAHLLOKOSA-N -1 3 346.427 2.315 20 10 EECDHM O=C([O-])c1ccc([O-])c(C[N@H+]2CCC[C@@H](C(=O)N3CCCCC3)C2)c1 ZINC001231564064 1303848457 /nfs/dbraw/zinc/84/84/57/1303848457.db2.gz NRUMKLAWZIPBHH-OAHLLOKOSA-N -1 3 346.427 2.315 20 10 EECDHM COc1cc([O-])c(CN2CCC[C@H](S(C)(=O)=O)C2)cc1Cl ZINC001232269313 1304059854 /nfs/dbraw/zinc/05/98/54/1304059854.db2.gz VGJWOTZFLZWELL-NSHDSACASA-N -1 3 333.837 2.063 20 10 EECDHM COc1cc([O-])c(CN2C[C@H](F)C[C@H](CO)C2)cc1Br ZINC001233134813 1304372773 /nfs/dbraw/zinc/37/27/73/1304372773.db2.gz FETFWVZLXMHGER-GXSJLCMTSA-N -1 3 348.212 2.316 20 10 EECDHM COc1cc([O-])c(CN2CCC(=O)[C@@H](F)C2)cc1Br ZINC001233140956 1304374064 /nfs/dbraw/zinc/37/40/64/1304374064.db2.gz ZSLJFFBXQBZDND-JTQLQIEISA-N -1 3 332.169 2.276 20 10 EECDHM CCOC(=O)[C@@]12CCO[C@@H]1CCN(Cc1c([O-])ccc(F)c1F)C2 ZINC001233332767 1304435262 /nfs/dbraw/zinc/43/52/62/1304435262.db2.gz WUCGTZNRWFJTAN-RHSMWYFYSA-N -1 3 341.354 2.215 20 10 EECDHM CN(C1CN(Cc2cccc(C(F)(F)F)c2[O-])C1)[C@@H]1CCOC1 ZINC001233418595 1304462277 /nfs/dbraw/zinc/46/22/77/1304462277.db2.gz NPPWYCODKYVFAL-GFCCVEGCSA-N -1 3 330.350 2.316 20 10 EECDHM NC(=O)CNC(=O)Nc1cccc(NCc2c([O-])cccc2Cl)c1 ZINC000797882798 1304868086 /nfs/dbraw/zinc/86/80/86/1304868086.db2.gz RHVJUOOHOAPUEP-UHFFFAOYSA-N -1 3 348.790 2.265 20 10 EECDHM COc1cc([O-])c(CN2CCO[C@@H]3C[C@H](CO)C[C@H]32)c(Cl)c1 ZINC001236795091 1305679425 /nfs/dbraw/zinc/67/94/25/1305679425.db2.gz IMQWXKDBUOTLFI-QSGSBWRWSA-N -1 3 327.808 2.026 20 10 EECDHM O=S1(=O)CCN(Cc2c([O-])ccc3ccncc32)CCC12CCC2 ZINC000840180162 1315318406 /nfs/dbraw/zinc/31/84/06/1315318406.db2.gz FJVQRFHDIZCCEG-UHFFFAOYSA-N -1 3 346.452 2.484 20 10 EECDHM [O-]c1cc(F)c(F)cc1CN1CCN(CCc2ccncc2)CC1 ZINC001142521029 1315648291 /nfs/dbraw/zinc/64/82/91/1315648291.db2.gz UYRLIDLFKIKGCF-UHFFFAOYSA-N -1 3 333.382 2.426 20 10 EECDHM COC(=O)[C@H]1CC(F)(F)CN1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC001329667102 1334693003 /nfs/dbraw/zinc/69/30/03/1334693003.db2.gz LXGGJKVSHIBETH-GFCCVEGCSA-N -1 3 331.290 2.117 20 10 EECDHM C[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O)c1cc(C(=O)[O-])ccc1[O-] ZINC001609776594 1352082966 /nfs/dbraw/zinc/08/29/66/1352082966.db2.gz HOCRSVMAIQYINO-JDFRZJQESA-N -1 3 349.427 2.309 20 10 EECDHM C[C@H]([NH2+]C[C@H]1CCN1C(C)(C)C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589961987 1349081874 /nfs/dbraw/zinc/08/18/74/1349081874.db2.gz FXOZDZHLYLNQIY-NWDGAFQWSA-N -1 3 330.436 2.096 20 10 EECDHM CC[C@H]([NH2+]Cc1cccnc1OC)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590470388 1349344129 /nfs/dbraw/zinc/34/41/29/1349344129.db2.gz WIEJIPBRSDWGJG-AWEZNQCLSA-N -1 3 340.387 2.217 20 10 EECDHM C[C@@H]([NH2+]CC1(CO)CC2(CCC2)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603656738 1350735806 /nfs/dbraw/zinc/73/58/06/1350735806.db2.gz IMZJRQDWBMZCAU-GFCCVEGCSA-N -1 3 343.431 2.166 20 10 EECDHM C[C@@H]([NH2+]CCOCc1ccccc1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603664157 1350737385 /nfs/dbraw/zinc/73/73/85/1350737385.db2.gz IFNOMYUWZWNVNX-CYBMUJFWSA-N -1 3 339.399 2.440 20 10 EECDHM CC[C@H]([NH2+]CCC1(COC)CC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001604054657 1350841011 /nfs/dbraw/zinc/84/10/11/1350841011.db2.gz ITJXLMNYVFJUSD-AWEZNQCLSA-N -1 3 331.420 2.430 20 10 EECDHM C[C@@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1)c1cc(C(=O)[O-])ccc1[O-] ZINC001604357437 1350922618 /nfs/dbraw/zinc/92/26/18/1350922618.db2.gz KMNVENLESOBPBC-VMDBXTETSA-N -1 3 344.367 2.372 20 10 EECDHM CCS(=O)(=O)CCN(C)Cc1c([O-])cccc1Br ZINC000862248717 1369526777 /nfs/dbraw/zinc/52/67/77/1369526777.db2.gz QKSUDFOATIWOCO-UHFFFAOYSA-N -1 3 336.251 2.021 20 10 EECDHM COC(=O)[C@@H]1CCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000893949601 780335167 /nfs/dbraw/zinc/33/51/67/780335167.db2.gz NVXCUQTVUCCVLB-MRVPVSSYSA-N -1 3 332.169 2.289 20 10 EECDHM O=C(N[C@@H](c1ccccc1)c1cccnn1)c1cc(O)c([O-])c(O)c1 ZINC001148590451 792574623 /nfs/dbraw/zinc/57/46/23/792574623.db2.gz KNUSUTUAYYIYEL-INIZCTEOSA-N -1 3 337.335 2.113 20 10 EECDHM c1cc(NCc2ccc(N3CCOCC3)cc2)cc(-c2nnn[n-]2)c1 ZINC000378887729 799785916 /nfs/dbraw/zinc/78/59/16/799785916.db2.gz NBMIEXVOCRYCFT-UHFFFAOYSA-N -1 3 336.399 2.315 20 10 EECDHM c1cc(NCc2ccc(N3CCOCC3)cc2)cc(-c2nn[n-]n2)c1 ZINC000378887729 799785924 /nfs/dbraw/zinc/78/59/24/799785924.db2.gz NBMIEXVOCRYCFT-UHFFFAOYSA-N -1 3 336.399 2.315 20 10 EECDHM CCOC(=O)[C@H](NCc1cc(Cl)ccc1[O-])[C@@H]1CCCOC1 ZINC000789580569 808071764 /nfs/dbraw/zinc/07/17/64/808071764.db2.gz MPKGPGIDDJRBEH-IAQYHMDHSA-N -1 3 327.808 2.494 20 10 EECDHM CCOC(=O)[C@H](NCc1cc(Cl)ccc1[O-])C1CCOCC1 ZINC000789581096 808071847 /nfs/dbraw/zinc/07/18/47/808071847.db2.gz OKUJZAQZDNZLGU-OAHLLOKOSA-N -1 3 327.808 2.494 20 10 EECDHM CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)c1cccc(O)c1[O-] ZINC000790525828 808782776 /nfs/dbraw/zinc/78/27/76/808782776.db2.gz QUYDQUPZZGXSPI-UHFFFAOYSA-N -1 3 340.379 2.262 20 10 EECDHM CCO[C@@H]1C[C@@H](NC(=O)c2cccc(O)c2[O-])[C@@H]1Oc1ccccc1 ZINC000790941163 809013197 /nfs/dbraw/zinc/01/31/97/809013197.db2.gz SADREHPRILBARD-KYJSFNMBSA-N -1 3 343.379 2.453 20 10 EECDHM Cc1ccc(C(=O)N2CC(=O)N(C)[C@H]2c2ccccc2)c([O-])c1O ZINC000793930535 810594040 /nfs/dbraw/zinc/59/40/40/810594040.db2.gz ONXCGUMKPCHUFD-QGZVFWFLSA-N -1 3 326.352 2.019 20 10 EECDHM C[C@H](N[C@H](C(=O)[O-])c1cccnc1)c1ccc(N2CCOCC2)cc1 ZINC000827717199 978964237 /nfs/dbraw/zinc/96/42/37/978964237.db2.gz FFVYBKQTPDNUQN-KSSFIOAISA-N -1 3 341.411 2.395 20 10 EECDHM COC[C@H]1CN(Cc2cc(Br)cc(OC)c2[O-])CCO1 ZINC000093528343 237045621 /nfs/dbraw/zinc/04/56/21/237045621.db2.gz QZLACRHAHZPSCF-GFCCVEGCSA-N -1 3 346.221 2.011 20 10 EECDHM C[C@@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])[C@@H](C)C1 ZINC000091729338 462900347 /nfs/dbraw/zinc/90/03/47/462900347.db2.gz DRPCYWSXNQEIRR-MNOVXSKESA-N -1 3 326.418 2.024 20 10 EECDHM O=C(Nc1ccccc1CN1CCC(O)CC1)c1cccc(O)c1[O-] ZINC000185896771 463901288 /nfs/dbraw/zinc/90/12/88/463901288.db2.gz XTMRDTXOKGKLLD-UHFFFAOYSA-N -1 3 342.395 2.307 20 10 EECDHM C[C@H](N[C@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(F)cc1[O-] ZINC000186082122 463934092 /nfs/dbraw/zinc/93/40/92/463934092.db2.gz USUNUFIMIKTTRD-FZMZJTMJSA-N -1 3 332.379 2.111 20 10 EECDHM C[C@H](CN1CCOCC1)N(C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000279439914 464105235 /nfs/dbraw/zinc/10/52/35/464105235.db2.gz PAISLWFGFBYDJN-LLVKDONJSA-N -1 3 343.811 2.106 20 10 EECDHM COCc1nc(CNCc2ccc([N+](=O)[O-])c(OC)c2[O-])cs1 ZINC000290994499 464139612 /nfs/dbraw/zinc/13/96/12/464139612.db2.gz AENVXKRSMSEMFZ-UHFFFAOYSA-N -1 3 339.373 2.202 20 10 EECDHM O=C(NC[C@@H]1CCN(c2ccccc2F)C1)c1cccc(O)c1[O-] ZINC000291373504 464152870 /nfs/dbraw/zinc/15/28/70/464152870.db2.gz YCTYWAPMWFAAJK-LBPRGKRZSA-N -1 3 330.359 2.493 20 10 EECDHM O=C(c1ccccn1)N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000271085277 464279782 /nfs/dbraw/zinc/27/97/82/464279782.db2.gz YQMYIINPYFOLJG-UHFFFAOYSA-N -1 3 331.803 2.399 20 10 EECDHM COC(=O)[C@H]1c2ccccc2CCN1Cc1cc2c(cc1[O-])OCO2 ZINC000271193962 464287685 /nfs/dbraw/zinc/28/76/85/464287685.db2.gz RXUZKXNVWAXJCY-GOSISDBHSA-N -1 3 341.363 2.393 20 10 EECDHM CC(C)(C)c1nc(CN2CCN(Cc3ccccc3[O-])CC2)no1 ZINC000271262071 464290787 /nfs/dbraw/zinc/29/07/87/464290787.db2.gz JDJZRUKOXVRRFY-UHFFFAOYSA-N -1 3 330.432 2.391 20 10 EECDHM CCOC(=O)[C@H](F)C1CN(Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000293835604 464422601 /nfs/dbraw/zinc/42/26/01/464422601.db2.gz GUQPOOJTWQEGJG-CYBMUJFWSA-N -1 3 331.771 2.387 20 10 EECDHM O=C(N[C@H]1CCCN(C2CCCCC2)C1=O)c1cccc(O)c1[O-] ZINC000275973634 464793110 /nfs/dbraw/zinc/79/31/10/464793110.db2.gz KHWJYCQHDZYVLA-AWEZNQCLSA-N -1 3 332.400 2.151 20 10 EECDHM CC[C@H](N[C@@H]1CCN(c2cc(C)nn2C)C1=O)c1ccc(F)cc1[O-] ZINC000286274896 464864741 /nfs/dbraw/zinc/86/47/41/464864741.db2.gz 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ZINC000734016305 577272336 /nfs/dbraw/zinc/27/23/36/577272336.db2.gz PTKPNHOJHFRLHV-UHFFFAOYSA-N -1 3 326.315 2.112 20 10 EECDHM O=C1CC2(CN1)CCN(Cc1cccc(Br)c1[O-])CC2 ZINC000769446575 577578125 /nfs/dbraw/zinc/57/81/25/577578125.db2.gz RZHANMTYDZJDAJ-UHFFFAOYSA-N -1 3 339.233 2.257 20 10 EECDHM CC[C@H]1C[C@@H](C)CN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769932591 577587330 /nfs/dbraw/zinc/58/73/30/577587330.db2.gz YJNGMRHKFBCUKR-PWSUYJOCSA-N -1 3 326.418 2.024 20 10 EECDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1ncccn1 ZINC000771067757 577609040 /nfs/dbraw/zinc/60/90/40/577609040.db2.gz VQCAFNWMGOONNA-AWEZNQCLSA-N -1 3 346.818 2.230 20 10 EECDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1cnco1 ZINC000760177643 577658297 /nfs/dbraw/zinc/65/82/97/577658297.db2.gz KIKWDYPMZZIAIA-ZDUSSCGKSA-N -1 3 335.791 2.428 20 10 EECDHM O=S1(=O)CCN(Cc2c([O-])ccc3ccncc32)[C@@H]2CCCC[C@H]21 ZINC000754009982 577798512 /nfs/dbraw/zinc/79/85/12/577798512.db2.gz IIZKGUIHQGZDOG-SJLPKXTDSA-N -1 3 346.452 2.482 20 10 EECDHM O=C(N[C@H](Cc1ccccc1)C(=O)N1CCCC1)c1cc([O-])cs1 ZINC000757916413 577866418 /nfs/dbraw/zinc/86/64/18/577866418.db2.gz TXJOMWYJXIHCDX-OAHLLOKOSA-N -1 3 344.436 2.417 20 10 EECDHM Cc1ncc(C=CC(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)s1 ZINC000737489320 578260468 /nfs/dbraw/zinc/26/04/68/578260468.db2.gz HWYAQRBDUNYTKU-GQCTYLIASA-N -1 3 344.375 2.447 20 10 EECDHM Cc1ncc(C=CC(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)s1 ZINC000737489320 578260469 /nfs/dbraw/zinc/26/04/69/578260469.db2.gz HWYAQRBDUNYTKU-GQCTYLIASA-N -1 3 344.375 2.447 20 10 EECDHM Cn1ccnc1[C@H](NCc1cc(F)cc(F)c1[O-])C(C)(C)CO ZINC000894881727 683295142 /nfs/dbraw/zinc/29/51/42/683295142.db2.gz DYHRBEYTNHUASF-AWEZNQCLSA-N -1 3 325.359 2.253 20 10 EECDHM CC(=O)c1cc(F)cc(CN2CC[S@](=O)C(C)(C)CC2)c1[O-] ZINC000321743745 690350847 /nfs/dbraw/zinc/35/08/47/690350847.db2.gz WDPWIGXZEASSNY-QFIPXVFZSA-N -1 3 327.421 2.467 20 10 EECDHM CC1(C)CN(Cc2ccc(Br)cc2[O-])C[C@@H](CO)O1 ZINC000826131722 1201306850 /nfs/dbraw/zinc/30/68/50/1201306850.db2.gz 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ZINC001276806050 1298061333 /nfs/dbraw/zinc/06/13/33/1298061333.db2.gz SHOLZNBFLWRGDX-UHFFFAOYSA-N -1 3 348.834 2.095 20 10 EECDHM COCC(COC)Oc1cccc2c1C(=O)c1c([O-])cccc1C2=O ZINC001226380472 1301388283 /nfs/dbraw/zinc/38/82/83/1301388283.db2.gz WFDUYWRKZBWKNC-UHFFFAOYSA-N -1 3 342.347 2.208 20 10 EECDHM COCC[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccc(C(=O)[O-])cc1[O-])C2 ZINC001231450142 1303799407 /nfs/dbraw/zinc/79/94/07/1303799407.db2.gz NGYLYBPKSCKEKK-LIRRHRJNSA-N -1 3 349.427 2.498 20 10 EECDHM COCC[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccc(C(=O)[O-])cc1[O-])C2 ZINC001231450142 1303799412 /nfs/dbraw/zinc/79/94/12/1303799412.db2.gz NGYLYBPKSCKEKK-LIRRHRJNSA-N -1 3 349.427 2.498 20 10 EECDHM COC(=O)[C@@H]1CN(Cc2cc(C(=O)[O-])ccc2O)Cc2ccccc21 ZINC001231565813 1303849086 /nfs/dbraw/zinc/84/90/86/1303849086.db2.gz CUKDYUKDJDTFAU-MRXNPFEDSA-N -1 3 341.363 2.363 20 10 EECDHM COc1cc([O-])c(CN2CCC[C@]3(CNC(=O)O3)C2)cc1Cl ZINC001232269771 1304060264 /nfs/dbraw/zinc/06/02/64/1304060264.db2.gz 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ZINC001308948218 1331609864 /nfs/dbraw/zinc/60/98/64/1331609864.db2.gz DWXSDIPUVQCYPA-ZDUSSCGKSA-N -1 3 330.344 2.340 20 10 EECDHM [O-]c1ccc(Cl)c(F)c1C[NH2+]Cc1nnc([C@@H]2CCCO2)[n-]1 ZINC000848563055 1338722137 /nfs/dbraw/zinc/72/21/37/1338722137.db2.gz QMCPHXXTRUYREA-NSHDSACASA-N -1 3 326.759 2.444 20 10 EECDHM [O-]c1ccc(Cl)c(F)c1CNCc1nc([C@@H]2CCCO2)n[nH]1 ZINC000848563055 1338722141 /nfs/dbraw/zinc/72/21/41/1338722141.db2.gz QMCPHXXTRUYREA-NSHDSACASA-N -1 3 326.759 2.444 20 10 EECDHM C(=Cc1ccc(-c2nnn[n-]2)cn1)c1ccc(N2CCOCC2)cc1 ZINC001588379205 1348897652 /nfs/dbraw/zinc/89/76/52/1348897652.db2.gz BSUCASTYXQLDPB-ORCRQEGFSA-N -1 3 334.383 2.269 20 10 EECDHM C(=Cc1ccc(-c2nn[n-]n2)cn1)c1ccc(N2CCOCC2)cc1 ZINC001588379205 1348897658 /nfs/dbraw/zinc/89/76/58/1348897658.db2.gz BSUCASTYXQLDPB-ORCRQEGFSA-N -1 3 334.383 2.269 20 10 EECDHM C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589951356 1349075896 /nfs/dbraw/zinc/07/58/96/1349075896.db2.gz CIZBJVLCTSMFHT-JQWOWJDXSA-N -1 3 329.404 2.036 20 10 EECDHM C[C@H]([NH2+]CCSC(F)(F)F)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589963146 1349083404 /nfs/dbraw/zinc/08/34/04/1349083404.db2.gz LJMRWJSJGFIRAV-ZETCQYMHSA-N -1 3 333.339 2.476 20 10 EECDHM CC[C@H]([NH2+]CC[C@@H]1CCCOC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590464394 1349340462 /nfs/dbraw/zinc/34/04/62/1349340462.db2.gz CGSAFSZWGDQMQV-WFASDCNBSA-N -1 3 331.420 2.430 20 10 EECDHM CC[C@@H]([NH2+][C@H]1CCN(C(C)(C)C)C1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590466863 1349340991 /nfs/dbraw/zinc/34/09/91/1349340991.db2.gz PCAGGVWMNMKHOC-SWLSCSKDSA-N -1 3 344.463 2.486 20 10 EECDHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)N1Cc2cccc(O)c2C1 ZINC001606922845 1351377552 /nfs/dbraw/zinc/37/75/52/1351377552.db2.gz XOTHENBCZXAVEW-UHFFFAOYSA-N -1 3 340.318 2.259 20 10 EECDHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)N1Cc2cccc(O)c2C1 ZINC001606922845 1351377556 /nfs/dbraw/zinc/37/75/56/1351377556.db2.gz XOTHENBCZXAVEW-UHFFFAOYSA-N -1 3 340.318 2.259 20 10 EECDHM Cc1cc(Br)c([O-])c(CNc2nc(N(C)C)n[nH]2)c1 ZINC000818214586 785222004 /nfs/dbraw/zinc/22/20/04/785222004.db2.gz FHVKGSOMWMNPKC-UHFFFAOYSA-N -1 3 326.198 2.259 20 10 EECDHM Cc1cc(Br)c([O-])c(CNc2n[nH]c(N(C)C)n2)c1 ZINC000818214586 785222016 /nfs/dbraw/zinc/22/20/16/785222016.db2.gz FHVKGSOMWMNPKC-UHFFFAOYSA-N -1 3 326.198 2.259 20 10 EECDHM O=C1CN(Cc2ccc(Br)cc2[O-])[C@@H]2CCCC[C@@H]2N1 ZINC000824645804 788254777 /nfs/dbraw/zinc/25/47/77/788254777.db2.gz PXRHMOCPHNLGJF-QWHCGFSZSA-N -1 3 339.233 2.398 20 10 EECDHM C[C@@H]1CCC[C@H](CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000055488555 789156146 /nfs/dbraw/zinc/15/61/46/789156146.db2.gz HCOATJHGSOCXNO-NEPJUHHUSA-N -1 3 340.445 2.320 20 10 EECDHM O=C(Nc1cc(OCc2cccnc2)n[nH]1)c1cccc(O)c1[O-] ZINC001148212028 792245854 /nfs/dbraw/zinc/24/58/54/792245854.db2.gz IGBZZQSCVJVANE-UHFFFAOYSA-N -1 3 326.312 2.047 20 10 EECDHM CC(C)(C)OC(=O)N[C@@H](CNC(=O)c1cccc(O)c1[O-])C1CC1 ZINC000790906810 808992241 /nfs/dbraw/zinc/99/22/41/808992241.db2.gz FNCPROIQQWDFEC-LBPRGKRZSA-N -1 3 336.388 2.131 20 10 EECDHM Cc1ccc(C)n1-c1ccc(C(=O)NCCCc2cc(=O)[nH][n-]2)cc1 ZINC000808258059 812542327 /nfs/dbraw/zinc/54/23/27/812542327.db2.gz VDPFLAIUDRWZML-UHFFFAOYSA-N -1 3 338.411 2.480 20 10 EECDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H](Oc2ncccc2F)C1 ZINC000240569384 242975608 /nfs/dbraw/zinc/97/56/08/242975608.db2.gz HADPDUYHHKZTFJ-NSHDSACASA-N -1 3 332.331 2.316 20 10 EECDHM COc1c([O-])c(CN[C@@]2(CO)CCc3ccccc32)ccc1[N+](=O)[O-] ZINC000364844020 533443786 /nfs/dbraw/zinc/44/37/86/533443786.db2.gz FKCDVGLUTFJDGA-GOSISDBHSA-N -1 3 344.367 2.233 20 10 EECDHM Cc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1cccc2nonc21 ZINC000154034630 462722131 /nfs/dbraw/zinc/72/21/31/462722131.db2.gz IGCAVCADGLLHKE-UHFFFAOYSA-N -1 3 346.412 2.394 20 10 EECDHM CC(=O)c1cc(F)cc(CN2CCC[C@H](Cn3ccnn3)C2)c1[O-] ZINC000119114833 462876245 /nfs/dbraw/zinc/87/62/45/462876245.db2.gz MWOHHLQMGUYYIP-ZDUSSCGKSA-N -1 3 332.379 2.238 20 10 EECDHM COc1c([O-])c(CN2CCS[C@@H]3COCC[C@H]32)ccc1[N+](=O)[O-] ZINC000278302040 463961639 /nfs/dbraw/zinc/96/16/39/463961639.db2.gz VWLNUNCHMWWXPO-DGCLKSJQSA-N -1 3 340.401 2.015 20 10 EECDHM Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cccc(O)c1[O-] ZINC000186817788 464070210 /nfs/dbraw/zinc/07/02/10/464070210.db2.gz DLSVREKJBSSJBL-UHFFFAOYSA-N -1 3 341.411 2.410 20 10 EECDHM O=C(Nc1ccc(CCN2CCOCC2)cc1)c1cccc(O)c1[O-] ZINC000186995394 464088568 /nfs/dbraw/zinc/08/85/68/464088568.db2.gz GOEKNUIYBJJGGQ-UHFFFAOYSA-N -1 3 342.395 2.225 20 10 EECDHM Cc1ccc(C(=O)NCCCCN2C[C@@H](C)O[C@@H](C)C2)c([O-])c1O ZINC000179540132 464153774 /nfs/dbraw/zinc/15/37/74/464153774.db2.gz UIAWQNGMJDBPGY-OKILXGFUSA-N -1 3 336.432 2.025 20 10 EECDHM COCCCNC(=O)C1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000179820815 464194688 /nfs/dbraw/zinc/19/46/88/464194688.db2.gz XVVKXJQCXSDDKD-UHFFFAOYSA-N -1 3 340.851 2.410 20 10 EECDHM CCCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)c2cccc(O)c2[O-])C1 ZINC000188283857 464243934 /nfs/dbraw/zinc/24/39/34/464243934.db2.gz ZHDJXXZMISCUBN-STQMWFEESA-N -1 3 334.416 2.255 20 10 EECDHM C[C@@](O)(CNCc1cc(Cl)cc([N+](=O)[O-])c1[O-])C(F)(F)F ZINC000270466960 464258102 /nfs/dbraw/zinc/25/81/02/464258102.db2.gz GRDXLCMGEKIROC-SNVBAGLBSA-N -1 3 328.674 2.357 20 10 EECDHM COc1cc(Cl)cc(CN2CC[C@H](OC(=O)N(C)C)C2)c1[O-] ZINC000295075851 464697263 /nfs/dbraw/zinc/69/72/63/464697263.db2.gz HUROJDZYTBZPJP-LBPRGKRZSA-N -1 3 328.796 2.327 20 10 EECDHM CN(Cc1cccc(Cl)c1[O-])C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000295113575 464710770 /nfs/dbraw/zinc/71/07/70/464710770.db2.gz MABGPIBFYJUWQY-LBPRGKRZSA-N -1 3 344.839 2.363 20 10 EECDHM C[C@H](N[C@H](CO)c1cnn(C)c1)c1cc(Br)ccc1[O-] ZINC000273469446 464718724 /nfs/dbraw/zinc/71/87/24/464718724.db2.gz JLBPHDFPLDVMMK-TVQRCGJNSA-N -1 3 340.221 2.272 20 10 EECDHM COC(=O)COc1ccc(N(C)C(=O)/C=C\c2cncc([O-])c2)cc1 ZINC000492419834 468416833 /nfs/dbraw/zinc/41/68/33/468416833.db2.gz DQEXSSMDYLWTGJ-BAQGIRSFSA-N -1 3 342.351 2.015 20 10 EECDHM Cc1ccc(C(=O)N2CCC[C@H]2CC(=O)c2cnn(C)c2)c([O-])c1O ZINC000182848755 464743000 /nfs/dbraw/zinc/74/30/00/464743000.db2.gz VMMQOSCTHHOFBL-ZDUSSCGKSA-N -1 3 343.383 2.017 20 10 EECDHM CCCN(Cc1ccccc1O)C(=O)CNC(=O)c1cccc([O-])c1 ZINC000274394897 464743781 /nfs/dbraw/zinc/74/37/81/464743781.db2.gz BYHMCOMEBDSFGI-UHFFFAOYSA-N -1 3 342.395 2.266 20 10 EECDHM COc1cc(Cl)cc(CN2CCS(=O)(=O)[C@@H](C)[C@@H]2C)c1[O-] ZINC000184696443 465019480 /nfs/dbraw/zinc/01/94/80/465019480.db2.gz MJYWHLGUUJNRRO-UWVGGRQHSA-N -1 3 333.837 2.062 20 10 EECDHM Cc1ccc(C(=O)N2CC[C@@](O)(c3ccc(F)cc3)C2)c([O-])c1O ZINC000367965408 466561630 /nfs/dbraw/zinc/56/16/30/466561630.db2.gz SRJVJSYQBKSFQI-SFHVURJKSA-N -1 3 331.343 2.279 20 10 EECDHM Cc1cccc(C)c1OCCNC(=O)COC(=O)c1cc([O-])cs1 ZINC000732352668 577174448 /nfs/dbraw/zinc/17/44/48/577174448.db2.gz AXYTYVLDJPLFFM-UHFFFAOYSA-N -1 3 349.408 2.423 20 10 EECDHM CN(C)C(=O)Nc1cccc(CNC(=O)c2cccc(O)c2[O-])c1 ZINC000776664363 577465614 /nfs/dbraw/zinc/46/56/14/577465614.db2.gz NRCLAHWQPUNOAH-UHFFFAOYSA-N -1 3 329.356 2.121 20 10 EECDHM COc1ccc(O)c([C@H](C)[N-]S(=O)(=O)c2cccnc2Cl)c1 ZINC000751317986 577750674 /nfs/dbraw/zinc/75/06/74/577750674.db2.gz JEEVSEAKXMXAMA-VIFPVBQESA-N -1 3 342.804 2.489 20 10 EECDHM CCOc1ccc(N(CC)Cc2nc3c(cnn3C)c(=O)[n-]2)cc1 ZINC000746158696 577923371 /nfs/dbraw/zinc/92/33/71/577923371.db2.gz FCQJQITZRJUKCF-UHFFFAOYSA-N -1 3 327.388 2.494 20 10 EECDHM COCCOC(=O)c1cc(C)n(-c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000737004922 578232890 /nfs/dbraw/zinc/23/28/90/578232890.db2.gz CJRCLCHLRHLWGS-UHFFFAOYSA-N -1 3 341.371 2.077 20 10 EECDHM COCCOC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000737004922 578232891 /nfs/dbraw/zinc/23/28/91/578232891.db2.gz CJRCLCHLRHLWGS-UHFFFAOYSA-N -1 3 341.371 2.077 20 10 EECDHM CCCN(Cc1cc(F)cc(C(C)=O)c1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000177253352 681211919 /nfs/dbraw/zinc/21/19/19/681211919.db2.gz NRYXVONZTAQAQJ-AWEZNQCLSA-N -1 3 343.420 2.133 20 10 EECDHM COc1c([O-])c(CN2c3ccccc3C[C@H]2CO)ccc1[N+](=O)[O-] ZINC000895241146 684362592 /nfs/dbraw/zinc/36/25/92/684362592.db2.gz DGQSMKMOUZYZCA-ZDUSSCGKSA-N -1 3 330.340 2.233 20 10 EECDHM COC(=O)CN(Cc1ccc(C)nn1)Cc1cc(Cl)ccc1[O-] ZINC000840918559 684923795 /nfs/dbraw/zinc/92/37/95/684923795.db2.gz VFHNCTULSRQWNH-UHFFFAOYSA-N -1 3 335.791 2.319 20 10 EECDHM CC(C)(C)NC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC001269559492 1184392310 /nfs/dbraw/zinc/39/23/10/1184392310.db2.gz DHFAEMCXPBZVJY-FDRIWYBQSA-N -1 3 346.427 2.157 20 10 EECDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CC(=O)N2 ZINC000189426097 1209167847 /nfs/dbraw/zinc/16/78/47/1209167847.db2.gz LQVHWYAAUDVZGQ-UHFFFAOYSA-N -1 3 332.381 2.250 20 10 EECDHM COc1ccc(N2CCN(C(=O)c3cccc(O)c3[O-])CC2)cc1F ZINC000193130600 1210737696 /nfs/dbraw/zinc/73/76/96/1210737696.db2.gz RNFFFZCUFWAUBS-UHFFFAOYSA-N -1 3 346.358 2.208 20 10 EECDHM [O-]c1c(Cl)cccc1CN1CC2(CN(CCn3ccnc3)C2)C1 ZINC001276380441 1250198045 /nfs/dbraw/zinc/19/80/45/1250198045.db2.gz UMZIQLHQCGQQPA-UHFFFAOYSA-N -1 3 332.835 2.060 20 10 EECDHM CC(C)N1CCN(Cc2c([O-])cccc2Br)CC1=O ZINC000862309559 1295790424 /nfs/dbraw/zinc/79/04/24/1295790424.db2.gz MKKOMHRKONONDB-UHFFFAOYSA-N -1 3 327.222 2.207 20 10 EECDHM C[C@H]1CCS(=O)(=O)CCN1Cc1c([O-])cccc1Br ZINC000862347195 1295802350 /nfs/dbraw/zinc/80/23/50/1295802350.db2.gz QDSVPKRTNHFKRE-JTQLQIEISA-N -1 3 348.262 2.164 20 10 EECDHM CON(C)C(=O)c1cccc(-c2noc(-c3cccc(O)c3[O-])n2)c1 ZINC001215145991 1296737028 /nfs/dbraw/zinc/73/70/28/1296737028.db2.gz VRLOQHRRTSSGGN-UHFFFAOYSA-N -1 3 341.323 2.448 20 10 EECDHM CN(C)C(=O)[C@@H]1CCN(Cc2cc(Cl)ccc2[O-])Cc2ccnn21 ZINC001277456679 1303222430 /nfs/dbraw/zinc/22/24/30/1303222430.db2.gz BUDURFDPNFPOCF-HNNXBMFYSA-N -1 3 348.834 2.277 20 10 EECDHM C[C@@H]1CN(C(=O)[C@]23C[C@H]2CCN3Cc2c([O-])cccc2F)C[C@@H](C)O1 ZINC001277483770 1303608538 /nfs/dbraw/zinc/60/85/38/1303608538.db2.gz AWIQTJSNIGEUII-FORMXFIPSA-N -1 3 348.418 2.132 20 10 EECDHM Cc1cccnc1N1CCN(Cc2cc(C(=O)[O-])ccc2O)CC1 ZINC001231559990 1303845583 /nfs/dbraw/zinc/84/55/83/1303845583.db2.gz MBSABRPHYHANQD-UHFFFAOYSA-N -1 3 327.384 2.116 20 10 EECDHM O=C(NC1CCN(Cc2ccc(F)c(F)c2[O-])CC1)c1cccnc1 ZINC001233080575 1304354894 /nfs/dbraw/zinc/35/48/94/1304354894.db2.gz WZGQBCDJIRMDNK-UHFFFAOYSA-N -1 3 347.365 2.460 20 10 EECDHM COc1cc([O-])c(CN2CCN(c3ncc(C)cn3)CC2)c(Cl)c1 ZINC001236805615 1305683625 /nfs/dbraw/zinc/68/36/25/1305683625.db2.gz IIAXXGRHHVOCKT-UHFFFAOYSA-N -1 3 348.834 2.475 20 10 EECDHM COc1ccc(CN2CCN(C[C@@H]3CCCO3)CC2)c([O-])c1Cl ZINC001236812813 1305686544 /nfs/dbraw/zinc/68/65/44/1305686544.db2.gz HWIDEMCRFLZMLC-AWEZNQCLSA-N -1 3 340.851 2.351 20 10 EECDHM O=C([O-])CCNC(=O)CC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC001608728754 1351750780 /nfs/dbraw/zinc/75/07/80/1351750780.db2.gz TYJDXQAWKIYYHD-UHFFFAOYSA-N -1 3 342.395 2.130 20 10 EECDHM C[C@H]([NH2+][C@H]1CCOC2(CCOCC2)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609778642 1352083602 /nfs/dbraw/zinc/08/36/02/1352083602.db2.gz NYASDJFZTNCIJE-JSGCOSHPSA-N -1 3 335.400 2.469 20 10 EECDHM C[C@H]([NH2+][C@@H]1CCC[C@@H](C(=O)N(C)C)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609781038 1352084311 /nfs/dbraw/zinc/08/43/11/1352084311.db2.gz VKNBFSIQNAFOMM-OUCADQQQSA-N -1 3 334.416 2.388 20 10 EECDHM N[C@@H](Cc1ccncc1)C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC001580368870 1344515084 /nfs/dbraw/zinc/51/50/84/1344515084.db2.gz IHBHTVYMRDSBEN-ZDUSSCGKSA-N -1 3 340.210 2.280 20 10 EECDHM C[C@@H](NC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(N(C)C)cc1 ZINC001589946368 1349073972 /nfs/dbraw/zinc/07/39/72/1349073972.db2.gz PCIVEBTUQZHNQD-GFCCVEGCSA-N -1 3 336.399 2.424 20 10 EECDHM C[C@@H](NC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(N(C)C)cc1 ZINC001589946368 1349073977 /nfs/dbraw/zinc/07/39/77/1349073977.db2.gz PCIVEBTUQZHNQD-GFCCVEGCSA-N -1 3 336.399 2.424 20 10 EECDHM C[C@@H]([NH2+]CCCC1CCOCC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589963484 1349083159 /nfs/dbraw/zinc/08/31/59/1349083159.db2.gz XKGYOKKIVCSJTL-GFCCVEGCSA-N -1 3 331.420 2.430 20 10 EECDHM CC[C@H]([NH2+]CCN(CC)C1CC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590469495 1349344085 /nfs/dbraw/zinc/34/40/85/1349344085.db2.gz JKOHSDGQNBXLHT-HNNXBMFYSA-N -1 3 330.436 2.097 20 10 EECDHM CC[C@@H]([NH2+]CCN(CC)C1CC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590469496 1349344458 /nfs/dbraw/zinc/34/44/58/1349344458.db2.gz JKOHSDGQNBXLHT-OAHLLOKOSA-N -1 3 330.436 2.097 20 10 EECDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1ccc(CO)cn1 ZINC001193321328 1368456962 /nfs/dbraw/zinc/45/69/62/1368456962.db2.gz CCLLZIPSYQTUSL-UHFFFAOYSA-N -1 3 343.770 2.411 20 10 EECDHM CCn1nnc2c1[C@H](COC)CN(Cc1c([O-])cccc1Cl)C2 ZINC001140338215 1372565341 /nfs/dbraw/zinc/56/53/41/1372565341.db2.gz AVRQNZVDWTTXOO-NSHDSACASA-N -1 3 336.823 2.403 20 10 EECDHM O=C(NCCC1=CCN(c2cc(F)ncn2)CC1)c1ccccc1[O-] ZINC001089812726 776245416 /nfs/dbraw/zinc/24/54/16/776245416.db2.gz XLZZSKUOEQZTKK-UHFFFAOYSA-N -1 3 342.374 2.278 20 10 EECDHM O=C(NCCc1cc(C(F)(F)F)ccn1)c1cccc(O)c1[O-] ZINC000818283288 785253410 /nfs/dbraw/zinc/25/34/10/785253410.db2.gz QQFNXFQMKQAFHX-UHFFFAOYSA-N -1 3 326.274 2.484 20 10 EECDHM Cn1nncc1CNCc1cc(Cl)cc(Br)c1[O-] ZINC000708140649 786752970 /nfs/dbraw/zinc/75/29/70/786752970.db2.gz YKSFHDGMYLHNJO-UHFFFAOYSA-N -1 3 331.601 2.226 20 10 EECDHM O=C1CN(Cc2ccc(Br)cc2[O-])[C@@H]2CCCC[C@H]2N1 ZINC000824645802 788254725 /nfs/dbraw/zinc/25/47/25/788254725.db2.gz PXRHMOCPHNLGJF-CHWSQXEVSA-N -1 3 339.233 2.398 20 10 EECDHM C[C@H](NCc1cc([N+](=O)[O-])ccc1[O-])C(=O)NCCc1ccccc1 ZINC000825035684 788408272 /nfs/dbraw/zinc/40/82/72/788408272.db2.gz OLZLPHUAIKLIDJ-ZDUSSCGKSA-N -1 3 343.383 2.137 20 10 EECDHM CSc1ncc(Cl)c(CNC(=O)c2cccc(O)c2[O-])n1 ZINC001148224808 792260309 /nfs/dbraw/zinc/26/03/09/792260309.db2.gz VSPXVISDGULEGD-UHFFFAOYSA-N -1 3 325.777 2.193 20 10 EECDHM COC(=O)c1c[nH]c2ccc(NC(=O)c3cc(O)c([O-])c(O)c3)cc21 ZINC001148585870 792571461 /nfs/dbraw/zinc/57/14/61/792571461.db2.gz BTKXPTDQRLNHNP-UHFFFAOYSA-N -1 3 342.307 2.324 20 10 EECDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1ccc(=O)[nH]n1 ZINC001181736978 800900744 /nfs/dbraw/zinc/90/07/44/800900744.db2.gz HAGLESRUKAUJOF-UHFFFAOYSA-N -1 3 330.731 2.476 20 10 EECDHM C[C@@H]1C(=O)OC[C@@H]1C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001182089039 801033417 /nfs/dbraw/zinc/03/34/17/801033417.db2.gz PQKLNCVIAPIQRN-KWQFWETISA-N -1 3 334.759 2.019 20 10 EECDHM Cc1cc(C)c(NC(=O)CNC(=O)c2cccc(O)c2[O-])c(C)c1 ZINC000186873478 802888850 /nfs/dbraw/zinc/88/88/50/802888850.db2.gz DLBGKZNPFQGEDP-UHFFFAOYSA-N -1 3 328.368 2.392 20 10 EECDHM O=C(NCc1ccnc(OCC(F)(F)F)c1)c1cccc(O)c1[O-] ZINC000186933730 803350603 /nfs/dbraw/zinc/35/06/03/803350603.db2.gz UMCASFZVUWMDBC-UHFFFAOYSA-N -1 3 342.273 2.364 20 10 EECDHM C[C@H](NCc1cnnn1C)c1cc(Br)c(F)cc1[O-] ZINC000806659723 811947562 /nfs/dbraw/zinc/94/75/62/811947562.db2.gz CZUXNHRCZLWVOY-ZETCQYMHSA-N -1 3 329.173 2.273 20 10 EECDHM C[C@H]([NH2+]C[C@]1(c2cnn(C)c2)CCCO1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593252345 994505750 /nfs/dbraw/zinc/50/57/50/994505750.db2.gz RCBVCOZSBCEPOR-SGTLLEGYSA-N -1 3 345.399 2.180 20 10 EECDHM C[C@H]([NH2+]C[C@H]1CC2(CO1)CCOCC2)c1cc(C(=O)[O-])ccc1[O-] ZINC001593252553 994507565 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CCN(Cc1cc(Br)ccc1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000178720369 463952584 /nfs/dbraw/zinc/95/25/84/463952584.db2.gz UWEPRMUVHYFSNV-GFCCVEGCSA-N -1 3 348.262 2.164 20 10 EECDHM COc1c([O-])c(CN2CCc3ccccc3[C@H]2CO)ccc1[N+](=O)[O-] ZINC000278209946 463958163 /nfs/dbraw/zinc/95/81/63/463958163.db2.gz KDQFQDKAZRUJSC-MRXNPFEDSA-N -1 3 344.367 2.401 20 10 EECDHM Cc1ccc(C(=O)N2CCN(C(=O)c3cccc(O)c3[O-])CC2)s1 ZINC000186995338 464088967 /nfs/dbraw/zinc/08/89/67/464088967.db2.gz BDDOVWAXBSYKFL-UHFFFAOYSA-N -1 3 346.408 2.066 20 10 EECDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2ncccc2N(C)C)c1 ZINC000289872967 464098721 /nfs/dbraw/zinc/09/87/21/464098721.db2.gz RNKSGLPWQGUBEO-GFCCVEGCSA-N -1 3 329.400 2.491 20 10 EECDHM Cc1ccc(C(=O)N2CCC(CN3CCCCC3=O)CC2)c([O-])c1O ZINC000179504890 464149546 /nfs/dbraw/zinc/14/95/46/464149546.db2.gz RMYPFAQAXZTRGU-UHFFFAOYSA-N -1 3 346.427 2.271 20 10 EECDHM C[C@H](N[C@@H]1CCN(CC(F)(F)F)C1=O)c1ccc(F)c(F)c1[O-] ZINC000187780678 464161389 /nfs/dbraw/zinc/16/13/89/464161389.db2.gz 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O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)c1cn[nH]c1 ZINC000134259866 463020905 /nfs/dbraw/zinc/02/09/05/463020905.db2.gz XIJNFZPSGDZUEK-AWEZNQCLSA-N -1 3 334.807 2.163 20 10 EECDHM CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000187048724 464092596 /nfs/dbraw/zinc/09/25/96/464092596.db2.gz GCQHFNXDJAYHTD-CHWSQXEVSA-N -1 3 334.416 2.255 20 10 EECDHM O=C(N[C@H]1CCN(c2ccccc2Cl)C1=O)c1cccc(O)c1[O-] ZINC000188463716 464286870 /nfs/dbraw/zinc/28/68/70/464286870.db2.gz AWXWLXFBGKGBIJ-LBPRGKRZSA-N -1 3 346.770 2.287 20 10 EECDHM O=C([N-]CC1CC[NH+](Cc2cc(F)ccc2[O-])CC1)C(F)(F)F ZINC000281237162 464381060 /nfs/dbraw/zinc/38/10/60/464381060.db2.gz LLAGOAYMJHJXLZ-UHFFFAOYSA-N -1 3 334.313 2.422 20 10 EECDHM CC(=O)Nc1cccc2c1CCN(C(=O)c1cccc(O)c1[O-])C2 ZINC000189197063 464455042 /nfs/dbraw/zinc/45/50/42/464455042.db2.gz YNFBCTRYHADPNV-UHFFFAOYSA-N -1 3 326.352 2.255 20 10 EECDHM CC(=O)c1cc(F)cc(CN[C@]2(CO)CCOc3ccccc32)c1[O-] ZINC000281804987 464591859 /nfs/dbraw/zinc/59/18/59/464591859.db2.gz VONCLQFTPGZOKW-IBGZPJMESA-N -1 3 345.370 2.494 20 10 EECDHM CCc1nn(C)c(OC)c1CN[C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273359532 464712468 /nfs/dbraw/zinc/71/24/68/464712468.db2.gz DJWWDIGRNKBRAO-SNVBAGLBSA-N -1 3 334.376 2.456 20 10 EECDHM CC(=O)c1cc(F)cc(CN2CCC[C@H](OC(=O)N(C)C)C2)c1[O-] ZINC000295770878 464958872 /nfs/dbraw/zinc/95/88/72/464958872.db2.gz YMPCINMIVYTPKK-AWEZNQCLSA-N -1 3 338.379 2.397 20 10 EECDHM CCOCCN1CCN(Cc2cc(Cl)cc(OC)c2[O-])CC1 ZINC000184677958 465017460 /nfs/dbraw/zinc/01/74/60/465017460.db2.gz STTVWTGEYPWBLR-UHFFFAOYSA-N -1 3 328.840 2.208 20 10 EECDHM CCS(=O)(=O)C[C@H](C)N(C)Cc1cc(Cl)cc(OC)c1[O-] ZINC000184694188 465019354 /nfs/dbraw/zinc/01/93/54/465019354.db2.gz PZMNFAIVHDKMBO-JTQLQIEISA-N -1 3 335.853 2.309 20 10 EECDHM COCc1ccc(CNC(=O)COC(=O)c2cc([O-])cs2)cc1 ZINC000732353659 577174858 /nfs/dbraw/zinc/17/48/58/577174858.db2.gz JEHVHISPNWQQKJ-UHFFFAOYSA-N -1 3 335.381 2.073 20 10 EECDHM CCc1nnc2n1CCN(Cc1cc(Br)ccc1[O-])C2 ZINC000772602765 577284961 /nfs/dbraw/zinc/28/49/61/577284961.db2.gz SDDOIHDSKBSDDC-UHFFFAOYSA-N -1 3 337.221 2.324 20 10 EECDHM CCn1cc(S(=O)(=O)[N-][C@@H](C)c2ccc(N(C)C)cc2)nc1C ZINC000773090320 577315011 /nfs/dbraw/zinc/31/50/11/577315011.db2.gz XAXHUWKJPPJSRC-LBPRGKRZSA-N -1 3 336.461 2.317 20 10 EECDHM C[C@@H](NCC(=O)N1CCN(C)CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774145304 577385642 /nfs/dbraw/zinc/38/56/42/577385642.db2.gz XCFVBQWKRIZQJD-SNVBAGLBSA-N -1 3 346.258 2.124 20 10 EECDHM COC(=O)C[C@](C)(NC(=O)c1ccc(C)c(O)c1[O-])c1ccccn1 ZINC000777350378 577477036 /nfs/dbraw/zinc/47/70/36/577477036.db2.gz LFVNEQPWACQWQK-SFHVURJKSA-N -1 3 344.367 2.010 20 10 EECDHM CC(=O)c1cc([O-])ccc1NS(=O)(=O)N1CCc2ccccc2C1 ZINC000766050541 577511854 /nfs/dbraw/zinc/51/18/54/577511854.db2.gz JFWQNLSFPOSZIA-UHFFFAOYSA-N -1 3 346.408 2.310 20 10 EECDHM CCOc1ccc(CN2CCc3ccccc3[C@H]2C(N)=O)c([O-])c1 ZINC000769187910 577571994 /nfs/dbraw/zinc/57/19/94/577571994.db2.gz CHDNJQOASSAJHO-SFHVURJKSA-N -1 3 326.396 2.376 20 10 EECDHM COC(=O)C[C@@H]1CSCCN1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000762632282 577704957 /nfs/dbraw/zinc/70/49/57/577704957.db2.gz FPONWZCQVOLCLK-CYBMUJFWSA-N -1 3 341.404 2.214 20 10 EECDHM CC(=O)c1cc(F)cc(CN[C@](C)(C(N)=O)c2ccccc2)c1[O-] ZINC000750823649 577743276 /nfs/dbraw/zinc/74/32/76/577743276.db2.gz SNTWGYWAIHLVDY-SFHVURJKSA-N -1 3 330.359 2.224 20 10 EECDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2ccc(N(C)CCO)cn2)c1 ZINC000756844509 577851078 /nfs/dbraw/zinc/85/10/78/577851078.db2.gz JQENVOBQZCIMKW-GFCCVEGCSA-N -1 3 345.399 2.175 20 10 EECDHM O=C(c1cc([O-])cs1)N1CCn2c(Cc3ccccc3)nnc2C1 ZINC000743624328 577888078 /nfs/dbraw/zinc/88/80/78/577888078.db2.gz KLDFQHMDFAAGFG-UHFFFAOYSA-N -1 3 340.408 2.292 20 10 EECDHM O=C(N[C@@H]1CC(=O)N([C@@H]2C[C@H]2c2ccccc2)C1)c1cc([O-])cs1 ZINC000743778633 577889805 /nfs/dbraw/zinc/88/98/05/577889805.db2.gz NDUOBFBRQLSSAU-VHDGCEQUSA-N -1 3 342.420 2.341 20 10 EECDHM CN(C)c1ccc(CN(c2ncccc2-c2nnn[n-]2)C2CC2)cc1 ZINC000736773470 578222919 /nfs/dbraw/zinc/22/29/19/578222919.db2.gz NOQKPXARCJNRLA-UHFFFAOYSA-N -1 3 335.415 2.497 20 10 EECDHM CN(C)c1ccc(CN(c2ncccc2-c2nn[n-]n2)C2CC2)cc1 ZINC000736773470 578222920 /nfs/dbraw/zinc/22/29/20/578222920.db2.gz NOQKPXARCJNRLA-UHFFFAOYSA-N -1 3 335.415 2.497 20 10 EECDHM CC(C)=CCN1CC[C@@]2(CCN(C(=O)c3cccc(O)c3[O-])C2)C1=O ZINC001269685654 1184509465 /nfs/dbraw/zinc/50/94/65/1184509465.db2.gz DJEAODYYNYUUSV-IBGZPJMESA-N -1 3 344.411 2.129 20 10 EECDHM O=C1N(Cc2cnoc2)CC[C@]12CCCN2Cc1cccc(F)c1[O-] ZINC001273303514 1198000089 /nfs/dbraw/zinc/00/00/89/1198000089.db2.gz CFXLRRSVWLYMQX-GOSISDBHSA-N -1 3 345.374 2.286 20 10 EECDHM CN(CCS(N)(=O)=O)Cc1cc2oc3ccccc3c2cc1[O-] ZINC000872823265 1198406133 /nfs/dbraw/zinc/40/61/33/1198406133.db2.gz ROLMHDUHUYKZGO-UHFFFAOYSA-N -1 3 334.397 2.012 20 10 EECDHM O=C(c1c([O-])c(O)ccc1F)N1CC2(CN(Cc3ccccc3)C2)C1 ZINC000880967745 1201614408 /nfs/dbraw/zinc/61/44/08/1201614408.db2.gz PNQUZGJVPIAZKZ-UHFFFAOYSA-N -1 3 342.370 2.195 20 10 EECDHM O=c1cccc(CN2CC3(C2)CN(Cc2cc(Cl)ccc2[O-])C3)[nH]1 ZINC001275277176 1205297430 /nfs/dbraw/zinc/29/74/30/1205297430.db2.gz URFOUNHSQPSIJR-UHFFFAOYSA-N -1 3 345.830 2.464 20 10 EECDHM [O-]c1c(F)ccc(F)c1CN1CC2(C1)CCN(Cc1cn[nH]c1)C2 ZINC001275362792 1205322516 /nfs/dbraw/zinc/32/25/16/1205322516.db2.gz QBJIDBLJOCMQAB-UHFFFAOYSA-N -1 3 334.370 2.101 20 10 EECDHM O=C([O-])c1ccc(C[N@@H+]2CC[C@H]3CN(Cc4ccc[nH]4)C[C@H]32)c([O-])c1 ZINC001276009350 1205633128 /nfs/dbraw/zinc/63/31/28/1205633128.db2.gz PRIZZTDVJUENHJ-WMLDXEAASA-N -1 3 341.411 2.125 20 10 EECDHM O=C([O-])c1ccc(C[N@H+]2CC[C@H]3CN(Cc4ccc[nH]4)C[C@H]32)c([O-])c1 ZINC001276009350 1205633130 /nfs/dbraw/zinc/63/31/30/1205633130.db2.gz PRIZZTDVJUENHJ-WMLDXEAASA-N -1 3 341.411 2.125 20 10 EECDHM COC(=O)/C=C(/C)CN(CC(=O)OC)Cc1cc(Cl)ccc1[O-] ZINC000929975362 1206524146 /nfs/dbraw/zinc/52/41/46/1206524146.db2.gz GFJVOIACBXBNCF-WDZFZDKYSA-N -1 3 341.791 2.140 20 10 EECDHM C[C@H]1CN(C(=O)c2cccc(O)c2[O-])CCN1Cc1ccccc1 ZINC000396383724 1243008841 /nfs/dbraw/zinc/00/88/41/1243008841.db2.gz OVCVWBYSUWZJJT-AWEZNQCLSA-N -1 3 326.396 2.444 20 10 EECDHM CC[C@@H](C)N1CC[C@@]2(CCC[N@@H+]2Cc2ccc(C(=O)[O-])cc2[O-])C1=O ZINC001273707429 1283766890 /nfs/dbraw/zinc/76/68/90/1283766890.db2.gz QBVICNCWPQTKNI-YJYMSZOUSA-N -1 3 346.427 2.456 20 10 EECDHM CC[C@@H](C)N1CC[C@@]2(CCC[N@H+]2Cc2ccc(C(=O)[O-])cc2[O-])C1=O ZINC001273707429 1283766900 /nfs/dbraw/zinc/76/69/00/1283766900.db2.gz QBVICNCWPQTKNI-YJYMSZOUSA-N -1 3 346.427 2.456 20 10 EECDHM COc1ccc(F)c(S(=O)(=O)[N-]Cc2cccc(C)c2O)c1 ZINC001196792465 1284258925 /nfs/dbraw/zinc/25/89/25/1284258925.db2.gz MQQWVWKBSJJFIE-UHFFFAOYSA-N -1 3 325.361 2.327 20 10 EECDHM CN(C)c1nccc(CNCc2c([O-])cccc2Br)n1 ZINC000858156613 1294026004 /nfs/dbraw/zinc/02/60/04/1294026004.db2.gz ZRZVFMCRMFZHPL-UHFFFAOYSA-N -1 3 337.221 2.301 20 10 EECDHM COCCO[N-]C(=O)Cc1ccc(-n2c(C)cc(C=O)c2C)cc1 ZINC000859888571 1294687517 /nfs/dbraw/zinc/68/75/17/1294687517.db2.gz VBSFWKUEXLQNDX-UHFFFAOYSA-N -1 3 330.384 2.143 20 10 EECDHM COC(=O)[C@]1(F)CCN(Cc2c([O-])cccc2Br)C1 ZINC000862252649 1295772374 /nfs/dbraw/zinc/77/23/74/1295772374.db2.gz VQXAATWPYQCGES-ZDUSSCGKSA-N -1 3 332.169 2.242 20 10 EECDHM CS(=O)(=O)c1ccc(-c2noc(-c3cccc(O)c3[O-])n2)cc1 ZINC001215145730 1296737485 /nfs/dbraw/zinc/73/74/85/1296737485.db2.gz FYFMWXZKPOZCKS-UHFFFAOYSA-N -1 3 332.337 2.218 20 10 EECDHM O=C(NCCn1cnc2ccccc21)NCc1c([O-])cccc1F ZINC001226891564 1301597173 /nfs/dbraw/zinc/59/71/73/1301597173.db2.gz ATRGZXVTBGTDHS-UHFFFAOYSA-N -1 3 328.347 2.380 20 10 EECDHM COc1cnc(O[C@H]2CCN(Cc3c([O-])ccc(F)c3F)C2)nc1 ZINC001233336536 1304436689 /nfs/dbraw/zinc/43/66/89/1304436689.db2.gz PACVIBCZTZRITO-JTQLQIEISA-N -1 3 337.326 2.122 20 10 EECDHM [O-]c1c(CN2CCN([C@H]3CCOC3)CC2)cccc1C(F)(F)F ZINC001233416133 1304462121 /nfs/dbraw/zinc/46/21/21/1304462121.db2.gz WZIPLMAZHFUZLD-ZDUSSCGKSA-N -1 3 330.350 2.318 20 10 EECDHM C[C@@H]1C[C@H](O)CCN1Cc1cccc(I)c1[O-] ZINC001237779480 1306087805 /nfs/dbraw/zinc/08/78/05/1306087805.db2.gz HBYJMYVSQOQDOT-MWLCHTKSSA-N -1 3 347.196 2.342 20 10 EECDHM CNC(=O)N[C@H]1CCCN(Cc2c([O-])cccc2Br)C1 ZINC001140102534 1314811456 /nfs/dbraw/zinc/81/14/56/1314811456.db2.gz RFNZMPJKVRTMND-JTQLQIEISA-N -1 3 342.237 2.048 20 10 EECDHM CC(C)(C)NC(=O)c1[nH]nc2c1CN(Cc1cc(F)ccc1[O-])C2 ZINC001278255250 1308920937 /nfs/dbraw/zinc/92/09/37/1308920937.db2.gz QLFKSPCEVIFWAH-UHFFFAOYSA-N -1 3 332.379 2.299 20 10 EECDHM Cc1cc(CN2CCNC(=O)C2(C)C)c([O-])cc1Br ZINC001250128913 1317216832 /nfs/dbraw/zinc/21/68/32/1317216832.db2.gz PIZUSQJVGUOLLD-UHFFFAOYSA-N -1 3 327.222 2.174 20 10 EECDHM OC1CCN(c2ccc(C=Cc3cc(-c4nnn[n-]4)ccn3)cc2)CC1 ZINC001607099861 1351418435 /nfs/dbraw/zinc/41/84/35/1351418435.db2.gz LYJFAXFHNJKKJV-RJRFIUFISA-N -1 3 348.410 2.393 20 10 EECDHM OC1CCN(c2ccc(C=Cc3cc(-c4nn[n-]n4)ccn3)cc2)CC1 ZINC001607099861 1351418437 /nfs/dbraw/zinc/41/84/37/1351418437.db2.gz LYJFAXFHNJKKJV-RJRFIUFISA-N -1 3 348.410 2.393 20 10 EECDHM CC(C)CN1CCN(Cc2ccc(Br)cc2[O-])CC1=O ZINC001308703458 1331602326 /nfs/dbraw/zinc/60/23/26/1331602326.db2.gz MBZSHYBKNPDDGS-UHFFFAOYSA-N -1 3 341.249 2.455 20 10 EECDHM CCOc1ccc(N2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)cc1 ZINC001327662885 1334329858 /nfs/dbraw/zinc/32/98/58/1334329858.db2.gz RGKWSDXFBCBNMI-UHFFFAOYSA-N -1 3 344.371 2.421 20 10 EECDHM C[C@H](NCC(=O)NC1(C(=O)[O-])CCCCC1)c1ccc(N(C)C)cc1 ZINC001609771497 1352081197 /nfs/dbraw/zinc/08/11/97/1352081197.db2.gz CZUQBWIIPZAJAF-AWEZNQCLSA-N -1 3 347.459 2.307 20 10 EECDHM CC[C@H](C)[C@H](NC(=O)CN[C@@H](C)c1ccc(N(C)C)cc1)C(=O)[O-] ZINC001609899217 1352114238 /nfs/dbraw/zinc/11/42/38/1352114238.db2.gz KVNYTJXCIFQVKO-DCGLDWPTSA-N -1 3 335.448 2.019 20 10 EECDHM Oc1cccc2c1CN(c1nc3ncccc3cc1-c1nnn[n-]1)C2 ZINC001593540004 1349836493 /nfs/dbraw/zinc/83/64/93/1349836493.db2.gz LUOIHLPTGVFJFT-UHFFFAOYSA-N -1 3 331.339 2.036 20 10 EECDHM Oc1cccc2c1CN(c1nc3ncccc3cc1-c1nn[n-]n1)C2 ZINC001593540004 1349836497 /nfs/dbraw/zinc/83/64/97/1349836497.db2.gz LUOIHLPTGVFJFT-UHFFFAOYSA-N -1 3 331.339 2.036 20 10 EECDHM C[C@@H](C[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-])CC1(C)OCCO1 ZINC001603552182 1350719396 /nfs/dbraw/zinc/71/93/96/1350719396.db2.gz SSLVZSUOUTWEGM-NEPJUHHUSA-N -1 3 347.419 2.012 20 10 EECDHM C[C@@H]([NH2+]C1([C@@H]2CCCCO2)CC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603649860 1350733886 /nfs/dbraw/zinc/73/38/86/1350733886.db2.gz HBQZRZFCBHBCHB-RISCZKNCSA-N -1 3 329.404 2.325 20 10 EECDHM C[C@@H]([NH2+]CC1(CO)CCCCC1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603657915 1350735861 /nfs/dbraw/zinc/73/58/61/1350735861.db2.gz QJXCYJMXWHQJDF-GFCCVEGCSA-N -1 3 331.420 2.166 20 10 EECDHM C[C@H]([NH2+]CCOCc1ccccc1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603664158 1350737535 /nfs/dbraw/zinc/73/75/35/1350737535.db2.gz IFNOMYUWZWNVNX-ZDUSSCGKSA-N -1 3 339.399 2.440 20 10 EECDHM CN(Cc1ccccc1O)c1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001604818550 1351015127 /nfs/dbraw/zinc/01/51/27/1351015127.db2.gz JHMVCMNSVFWRKN-UHFFFAOYSA-N -1 3 344.306 2.256 20 10 EECDHM CN(Cc1ccccc1O)c1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001604818550 1351015131 /nfs/dbraw/zinc/01/51/31/1351015131.db2.gz JHMVCMNSVFWRKN-UHFFFAOYSA-N -1 3 344.306 2.256 20 10 EECDHM Cc1c(NC(=O)N2Cc3cccc(O)c3C2)cccc1-c1nnn[n-]1 ZINC001605496792 1351171674 /nfs/dbraw/zinc/17/16/74/1351171674.db2.gz CSNYIKAQGHVTIU-UHFFFAOYSA-N -1 3 336.355 2.428 20 10 EECDHM Cc1c(NC(=O)N2Cc3cccc(O)c3C2)cccc1-c1nn[n-]n1 ZINC001605496792 1351171678 /nfs/dbraw/zinc/17/16/78/1351171678.db2.gz CSNYIKAQGHVTIU-UHFFFAOYSA-N -1 3 336.355 2.428 20 10 EECDHM COc1cc(Br)cc(C[NH2+][C@H](C(=O)[O-])C2CC2)c1[O-] ZINC001607055286 1351404026 /nfs/dbraw/zinc/40/40/26/1351404026.db2.gz CANNYAWXJJTLMO-NSHDSACASA-N -1 3 330.178 2.116 20 10 EECDHM [O-]c1cccc(Cl)c1CN1CCOC[C@](O)(C(F)(F)F)C1 ZINC001140337888 1372564458 /nfs/dbraw/zinc/56/44/58/1372564458.db2.gz LMIYBQWABCDWDH-LBPRGKRZSA-N -1 3 325.714 2.171 20 10 EECDHM CN(C)Cc1cccc(C(=O)N(CC(=O)[O-])Cc2ccccc2O)c1 ZINC000911485294 787482359 /nfs/dbraw/zinc/48/23/59/787482359.db2.gz VZEBTLFOSPMGGX-UHFFFAOYSA-N -1 3 342.395 2.181 20 10 EECDHM CCN1CCC[C@@H](NCc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1=O ZINC000922640650 801577848 /nfs/dbraw/zinc/57/78/48/801577848.db2.gz UZFGOYAKXKTJOC-LLVKDONJSA-N -1 3 327.768 2.054 20 10 EECDHM CNC(=O)c1cc2cc(NC(=O)c3ccc(C)c(O)c3[O-])ccc2[nH]1 ZINC000792578549 809837537 /nfs/dbraw/zinc/83/75/37/809837537.db2.gz NWLPFWJPKULRQJ-UHFFFAOYSA-N -1 3 339.351 2.499 20 10 EECDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C=Cc1ccc(O)c(O)c1 ZINC000826277379 947799038 /nfs/dbraw/zinc/79/90/38/947799038.db2.gz SARXMDDUVLFEAQ-QPJJXVBHSA-N -1 3 337.339 2.238 20 10 EECDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C=Cc1ccc(O)c(O)c1 ZINC000826277379 947799042 /nfs/dbraw/zinc/79/90/42/947799042.db2.gz SARXMDDUVLFEAQ-QPJJXVBHSA-N -1 3 337.339 2.238 20 10 EECDHM CC[C@@H](C[NH2+]Cc1cc(Br)cc(OC)c1[O-])C(=O)[O-] ZINC000903705114 981016033 /nfs/dbraw/zinc/01/60/33/981016033.db2.gz RBJGIUJIHPMATQ-QMMMGPOBSA-N -1 3 332.194 2.364 20 10 EECDHM CC(C)[C@@H](C[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-])N1CCN(C)CC1 ZINC001593241274 994436932 /nfs/dbraw/zinc/43/69/32/994436932.db2.gz ZBALFCIXOYISAB-RHSMWYFYSA-N -1 3 349.475 2.013 20 10 EECDHM COc1cc(Cl)cc(C[NH2+][C@@H](C[C@@H]2CCCOC2)C(=O)[O-])c1[O-] ZINC001599421043 997594525 /nfs/dbraw/zinc/59/45/25/997594525.db2.gz YNCVKPNNRPROPE-GWCFXTLKSA-N -1 3 343.807 2.414 20 10 EECDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCCCCCC2)c1 ZINC000055110376 463286055 /nfs/dbraw/zinc/28/60/55/463286055.db2.gz FBFMBAUKTDOHHM-UHFFFAOYSA-N -1 3 326.418 2.170 20 10 EECDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C1(O)CCC1 ZINC000184871169 463710406 /nfs/dbraw/zinc/71/04/06/463710406.db2.gz FYYXOUYSOJTGTI-UHFFFAOYSA-N -1 3 328.206 2.418 20 10 EECDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1CCCn1ccnc1 ZINC000277172062 463898047 /nfs/dbraw/zinc/89/80/47/463898047.db2.gz BVDZQTIHXJWRTI-UHFFFAOYSA-N -1 3 348.790 2.097 20 10 EECDHM Cc1ccc(C(=O)N2CCN(C(=O)c3cccc(O)c3[O-])CC2)cc1 ZINC000188191484 464220938 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COC[C@]1(NC(=O)c2ccc(C)c(O)c2[O-])COc2ccccc2C1 ZINC000529957780 467933208 /nfs/dbraw/zinc/93/32/08/467933208.db2.gz CYZARIOWGMYTMS-IBGZPJMESA-N -1 3 343.379 2.156 20 10 EECDHM CC(C)C(=O)NCCN(C)Cc1cc(Br)ccc1[O-] ZINC000092103566 527499651 /nfs/dbraw/zinc/49/96/51/527499651.db2.gz MAQWDTQRMQLHBE-UHFFFAOYSA-N -1 3 329.238 2.359 20 10 EECDHM [O-]c1c(F)cc(Cl)cc1CN1CC[C@H](CN2CCOCC2)C1 ZINC000775717368 577443655 /nfs/dbraw/zinc/44/36/55/577443655.db2.gz DJIASMPTHCSCAJ-GFCCVEGCSA-N -1 3 328.815 2.339 20 10 EECDHM O=C(Nc1ccncc1)c1cccc(NC(=O)c2cccc(O)c2[O-])c1 ZINC000776644979 577465222 /nfs/dbraw/zinc/46/52/22/577465222.db2.gz RMQGBWZFNQNDDJ-UHFFFAOYSA-N -1 3 349.346 2.419 20 10 EECDHM COc1ccc(OC)c(CN(CCO)Cc2c([O-])cccc2OC)c1 ZINC000769404191 577577107 /nfs/dbraw/zinc/57/71/07/577577107.db2.gz OQRBKROSGWPIRH-UHFFFAOYSA-N -1 3 347.411 2.413 20 10 EECDHM O=C(c1ccc([N+](=O)[O-])s1)N1CCN(Cc2ccccc2[O-])CC1 ZINC000770508628 577597822 /nfs/dbraw/zinc/59/78/22/577597822.db2.gz 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EECDHM CN(CC[N@H+](C)Cc1ccc(C(=O)[O-])cc1[O-])C(=O)OC(C)(C)C ZINC001231445786 1303798884 /nfs/dbraw/zinc/79/88/84/1303798884.db2.gz ASCSUDVYBCIGER-UHFFFAOYSA-N -1 3 338.404 2.389 20 10 EECDHM CN(CC[N@@H+](C)Cc1ccc(C(=O)[O-])cc1[O-])C(=O)OC(C)(C)C ZINC001231445786 1303798888 /nfs/dbraw/zinc/79/88/88/1303798888.db2.gz ASCSUDVYBCIGER-UHFFFAOYSA-N -1 3 338.404 2.389 20 10 EECDHM COCC[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccc(C(=O)[O-])cc1[O-])C2 ZINC001231450131 1303799372 /nfs/dbraw/zinc/79/93/72/1303799372.db2.gz NGYLYBPKSCKEKK-AUUYWEPGSA-N -1 3 349.427 2.498 20 10 EECDHM COCC[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ccc(C(=O)[O-])cc1[O-])C2 ZINC001231450131 1303799378 /nfs/dbraw/zinc/79/93/78/1303799378.db2.gz NGYLYBPKSCKEKK-AUUYWEPGSA-N -1 3 349.427 2.498 20 10 EECDHM COC[C@H]1CCN1Cc1ccc(I)cc1[O-] ZINC001232977364 1304313305 /nfs/dbraw/zinc/31/33/05/1304313305.db2.gz BABVLQODUQIVCX-LLVKDONJSA-N -1 3 333.169 2.218 20 10 EECDHM CC(=O)[C@@H]1CCN(Cc2ccc(I)cc2[O-])C1 ZINC001232978099 1304314694 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