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@@](CO)([NH2+]Cc1cc(Cl)cc(Br)c1O)c1cccc(O)c1 ZINC000895388365 859349029 /nfs/dbraw/zinc/34/90/29/859349029.db2.gz IKBBCDPXFUXMTQ-INIZCTEOSA-N -1 2 386.673 3.511 20 10 GHCDLM Cc1ccccc1-c1csc(NS(=O)(=O)c2cccc(C(=O)[O-])c2C)n1 ZINC000738749663 599966800 /nfs/dbraw/zinc/96/68/00/599966800.db2.gz JMBNYIWJKKTWAS-UHFFFAOYSA-N -1 2 388.470 3.926 20 10 GHCDLM CCCc1ccc(S(=O)(=O)Nc2nc(-c3c[nH]c(C(=O)[O-])c3)cs2)cc1 ZINC000737051112 600054910 /nfs/dbraw/zinc/05/49/10/600054910.db2.gz RBNYNGBYTSVNJB-UHFFFAOYSA-N -1 2 391.474 3.590 20 10 GHCDLM Cc1ccc(S(=O)(=O)Nc2nc(-c3cccs3)cs2)cc1C(=O)[O-] ZINC000832956470 600828367 /nfs/dbraw/zinc/82/83/67/600828367.db2.gz DOGGRAYZGYRMIC-UHFFFAOYSA-N -1 2 380.472 3.679 20 10 GHCDLM Cc1ccc(S(=O)(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1C(=O)[O-] ZINC000832956504 600828606 /nfs/dbraw/zinc/82/86/06/600828606.db2.gz IRDFARRKBXKBHB-UHFFFAOYSA-N -1 2 392.433 3.757 20 10 GHCDLM O=C([O-])c1ccc(S(=O)(=O)Nc2nc(-c3cc(F)ccc3F)cs2)cc1 ZINC000833324019 601132927 /nfs/dbraw/zinc/13/29/27/601132927.db2.gz ICKURRVJSYMBHZ-UHFFFAOYSA-N -1 2 396.396 3.587 20 10 GHCDLM Cc1ccccc1-c1csc(NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)n1 ZINC000833753172 605167797 /nfs/dbraw/zinc/16/77/97/605167797.db2.gz MITFIILSZRVSNE-UHFFFAOYSA-N -1 2 392.433 3.757 20 10 GHCDLM O=C(c1ccsc1)N1CCC[C@@]2(CC[N@H+](Cc3c(O)cc(F)cc3F)C2)C1 ZINC001140581442 1022002460 /nfs/dbraw/zinc/00/24/60/1022002460.db2.gz SGNFEJRSTPIWQC-FQEVSTJZSA-N -1 2 392.471 3.860 20 10 GHCDLM CCOC(=O)Cc1ccc2c(c1)C[N@@H+](Cc1cc(F)c(Cl)cc1O)CC2 ZINC001237935732 1042427186 /nfs/dbraw/zinc/42/71/86/1042427186.db2.gz YEJOUMPISJHANQ-UHFFFAOYSA-N -1 2 377.843 3.849 20 10 GHCDLM OC[C@@H]1C[N@H+](Cc2cc(Br)cc(F)c2O)CC[C@@H]1c1ccccc1 ZINC001474621254 1074488289 /nfs/dbraw/zinc/48/82/89/1074488289.db2.gz QQGSDIMYKFWMQK-DOTOQJQBSA-N -1 2 394.284 3.892 20 10 GHCDLM O=C([O-])c1ccc(F)cc1S(=O)(=O)Nc1nc(-c2ccccc2F)cs1 ZINC000740145392 600056064 /nfs/dbraw/zinc/05/60/64/600056064.db2.gz QZFXTJDWFPIYEI-UHFFFAOYSA-N -1 2 396.396 3.587 20 10 GHCDLM Cc1cc(S(=O)(=O)Nc2nc(-c3cccc(F)c3)cs2)ccc1C(=O)[O-] ZINC000832904364 600976860 /nfs/dbraw/zinc/97/68/60/600976860.db2.gz IWIXSMZHODLUHU-UHFFFAOYSA-N -1 2 392.433 3.757 20 10 GHCDLM Cc1cccc(S(=O)(=O)Nc2nc(-c3ccccc3F)cs2)c1C(=O)[O-] ZINC000738747392 600056237 /nfs/dbraw/zinc/05/62/37/600056237.db2.gz WAPRBCOPBYEMMJ-UHFFFAOYSA-N -1 2 392.433 3.757 20 10 GHCDLM O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccc(O)cc2C(F)(F)F)c1 ZINC001187580792 915375403 /nfs/dbraw/zinc/37/54/03/915375403.db2.gz BRIKUAQOQNXKSA-UHFFFAOYSA-N -1 2 395.742 3.563 20 10 GHCDLM C[C@H](Oc1c(=O)c2c(O)cc(O)c(O)c2oc1-c1ccc(O)cc1)C1=CC=C[CH]1 ZINC001230167425 1033927731 /nfs/dbraw/zinc/92/77/31/1033927731.db2.gz ZMPLQRPKQOBRIY-NSHDSACASA-N -1 2 393.371 3.750 20 10 GHCDLM Oc1c(I)cccc1C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC001237780693 1042365530 /nfs/dbraw/zinc/36/55/30/1042365530.db2.gz VRNIYAUAAASGQQ-SNVBAGLBSA-N -1 2 385.167 3.771 20 10 GHCDLM CCc1ccc(-c2csc(NS(=O)(=O)c3csc(C(=O)[O-])c3)n2)cc1 ZINC000830229569 600974672 /nfs/dbraw/zinc/97/46/72/600974672.db2.gz ZABOUYDBQICUCG-UHFFFAOYSA-N -1 2 394.499 3.933 20 10 GHCDLM Cc1ccc(-c2csc(NS(=O)(=O)c3csc(C(=O)[O-])c3)n2)cc1C ZINC000832906856 600975207 /nfs/dbraw/zinc/97/52/07/600975207.db2.gz CMZUEELYCJRAAJ-UHFFFAOYSA-N -1 2 394.499 3.987 20 10 GHCDLM O=C([O-])c1cc(S(=O)(=O)Nc2nc(-c3ccc(F)cc3)cs2)cs1 ZINC000833306110 600975410 /nfs/dbraw/zinc/97/54/10/600975410.db2.gz DWSOCVQMQVPIMA-UHFFFAOYSA-N -1 2 384.435 3.510 20 10 GHCDLM Cc1cc(F)cc(S(=O)(=O)Nc2nc(-c3ccc(C(=O)[O-])cc3)cs2)c1 ZINC000832887778 601358896 /nfs/dbraw/zinc/35/88/96/601358896.db2.gz GWXKGMUQKDQROU-UHFFFAOYSA-N -1 2 392.433 3.757 20 10 GHCDLM Oc1cc(F)c(Br)cc1CN1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC001144306566 901685287 /nfs/dbraw/zinc/68/52/87/901685287.db2.gz HGDBRJKZGAUWJA-UHFFFAOYSA-N -1 2 391.284 3.754 20 10 GHCDLM C[N@@H+]1CCN(Cc2cc(F)cc(Br)c2O)C[C@@H]1c1ccccc1 ZINC001235302658 1040776555 /nfs/dbraw/zinc/77/65/55/1040776555.db2.gz SFHJPMJBHFGRCX-QGZVFWFLSA-N -1 2 379.273 3.783 20 10 GHCDLM Oc1cc(Cl)c(Cl)cc1C[N@H+]1CCCn2cnc(Cn3cccn3)c2C1 ZINC001236791989 1041896716 /nfs/dbraw/zinc/89/67/16/1041896716.db2.gz DGKKARCXKNNEMS-UHFFFAOYSA-N -1 2 392.290 3.546 20 10 GHCDLM Cc1sc(NS(=O)(=O)c2csc(C(=O)[O-])c2)nc1-c1ccc(F)cc1 ZINC000833037458 600977273 /nfs/dbraw/zinc/97/72/73/600977273.db2.gz ZEVBRHVWKKFQHM-UHFFFAOYSA-N -1 2 398.462 3.818 20 10 GHCDLM Cn1cc([C@H]([NH2+]Cc2cc(Br)cc(F)c2O)c2ccccc2)cn1 ZINC001201971966 875959740 /nfs/dbraw/zinc/95/97/40/875959740.db2.gz PLPMSOVLGZLCKM-QGZVFWFLSA-N -1 2 390.256 3.907 20 10 GHCDLM C[N@@H+]1CCN(Cc2c(O)cc(Br)cc2F)C[C@@H]1c1ccccc1 ZINC001233030977 1038786392 /nfs/dbraw/zinc/78/63/92/1038786392.db2.gz UUQYHUYJKAPFMF-QGZVFWFLSA-N -1 2 379.273 3.783 20 10 GHCDLM COc1ccc(C[N@@H+]2CCC[C@@]23CCN(CC=C(C)C)C3=O)c(O)c1Cl ZINC001277835819 1039900473 /nfs/dbraw/zinc/90/04/73/1039900473.db2.gz ZQUIBDCTGLIBPO-FQEVSTJZSA-N -1 2 378.900 3.587 20 10 GHCDLM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1nc(-c2ccccc2F)cs1 ZINC000738276870 599966279 /nfs/dbraw/zinc/96/62/79/599966279.db2.gz GMCGEMKDAYHFOZ-UHFFFAOYSA-N -1 2 392.433 3.757 20 10 GHCDLM Cc1ccc(-c2csc(NS(=O)(=O)c3ccc(C(=O)[O-])cc3)n2)s1 ZINC000013030385 601356826 /nfs/dbraw/zinc/35/68/26/601356826.db2.gz KDEOLLLERXECRT-UHFFFAOYSA-N -1 2 380.472 3.679 20 10 GHCDLM O=C(Nc1ccc(F)cc1)N[C@H]1CC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000792164508 880956306 /nfs/dbraw/zinc/95/63/06/880956306.db2.gz JVYYQEWNVHLLAG-ZDUSSCGKSA-N -1 2 381.810 3.720 20 10 GHCDLM C[C@@H](Oc1c(=O)c2c(O)cc(O)cc2oc1-c1ccc(O)c(O)c1)C1=CC=C[CH]1 ZINC001227462039 1032429830 /nfs/dbraw/zinc/42/98/30/1032429830.db2.gz FBGCJHMQKXSTHH-LLVKDONJSA-N -1 2 393.371 3.750 20 10 GHCDLM CCc1ccc(-c2csc(NS(=O)(=O)c3ccc(C(=O)[O-])cc3)n2)s1 ZINC000830229257 601183990 /nfs/dbraw/zinc/18/39/90/601183990.db2.gz NXIDACRMRKOWQT-UHFFFAOYSA-N -1 2 394.499 3.933 20 10 GHCDLM Cc1ccc2c(n1)N(Cc1cccnc1)CC[N@@H+](Cc1c(O)ccc(F)c1F)C2 ZINC001233333898 1039135158 /nfs/dbraw/zinc/13/51/58/1039135158.db2.gz LRYCHFIWDPFLRB-UHFFFAOYSA-N -1 2 396.441 3.791 20 10 GHCDLM COc1cnc(OC2CCN(Cc3c(O)ccc(Cl)c3Cl)CC2)nc1 ZINC001237085855 1042029070 /nfs/dbraw/zinc/02/90/70/1042029070.db2.gz IVJJOKWIDZENGD-UHFFFAOYSA-N -1 2 384.263 3.541 20 10 GHCDLM Cc1ccc(S(=O)(=O)Nc2nc(-c3cccc(F)c3)cs2)cc1C(=O)[O-] ZINC000832956508 600828454 /nfs/dbraw/zinc/82/84/54/600828454.db2.gz IYBGVMSZAYTPGA-UHFFFAOYSA-N -1 2 392.433 3.757 20 10 GHCDLM Oc1cc(F)c(Br)cc1C[N@@H+]1CCCC[C@@](O)(C(F)(F)F)C1 ZINC001144298808 901646392 /nfs/dbraw/zinc/64/63/92/901646392.db2.gz JNXYSQHVTUFWGJ-ZDUSSCGKSA-N -1 2 386.183 3.573 20 10 GHCDLM Oc1c(Br)cc(Br)cc1C[N@@H+]1CC[C@H]2OCC[C@@H]2C1 ZINC001203568843 1027438372 /nfs/dbraw/zinc/43/83/72/1027438372.db2.gz XTCJNBUSLCRRJL-NOZJJQNGSA-N -1 2 391.103 3.528 20 10 GHCDLM O=C(c1ccccc1)N1CCC[N@@H+](Cc2cccc(C(F)(F)F)c2O)CC1 ZINC001233419167 1039279766 /nfs/dbraw/zinc/27/97/66/1039279766.db2.gz LSXWPMMOFXPQDI-UHFFFAOYSA-N -1 2 378.394 3.759 20 10 GHCDLM Cc1cccc(S(=O)(=O)Nc2nc(-c3ccc(F)cc3)cs2)c1C(=O)[O-] ZINC000738747319 600052182 /nfs/dbraw/zinc/05/21/82/600052182.db2.gz SVTPYIVPUPZTPO-UHFFFAOYSA-N -1 2 392.433 3.757 20 10 GHCDLM Cc1ccc(-c2csc(NS(=O)(=O)c3csc(C(=O)[O-])c3)n2)cc1 ZINC000832906855 600975472 /nfs/dbraw/zinc/97/54/72/600975472.db2.gz CMOFCYPWQWKESD-UHFFFAOYSA-N -1 2 380.472 3.679 20 10 GHCDLM CSc1ccccc1NC(=O)C[N@H+](C)Cc1cccc(Br)c1O ZINC000179626382 835909369 /nfs/dbraw/zinc/90/93/69/835909369.db2.gz QHGJBEVAHCEIMD-UHFFFAOYSA-N -1 2 395.322 3.947 20 10 GHCDLM CCOC(=O)c1ccccc1S(=O)(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000799537807 933030101 /nfs/dbraw/zinc/03/01/01/933030101.db2.gz RFCROVQRZNABEF-UHFFFAOYSA-N -1 2 390.244 3.677 20 10 GHCDLM Oc1ccc(F)cc1C[N@@H+]1Cc2ncn(CC3CC3)c2[C@@H](COCC2CC2)C1 ZINC001140062634 1026842007 /nfs/dbraw/zinc/84/20/07/1026842007.db2.gz CDHOIYMUQJNESC-GOSISDBHSA-N -1 2 385.483 3.664 20 10 GHCDLM O=C1c2ccccc2CN1[C@H]1CCN(Cc2c(O)ccc(Cl)c2Cl)C1 ZINC001237085660 1042028575 /nfs/dbraw/zinc/02/85/75/1042028575.db2.gz FDZPFRVJLAQPML-ZDUSSCGKSA-N -1 2 377.271 3.929 20 10 GHCDLM Cc1sc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)nc1-c1ccc(F)cc1 ZINC000738995472 600054323 /nfs/dbraw/zinc/05/43/23/600054323.db2.gz BXHAPOAUTZKFDJ-UHFFFAOYSA-N -1 2 398.462 3.818 20 10 GHCDLM O=C([O-])c1cc(S(=O)(=O)Nc2nc(-c3ccco3)cs2)ccc1Cl ZINC000833306332 601844009 /nfs/dbraw/zinc/84/40/09/601844009.db2.gz OEHNGWRCUQEAKH-UHFFFAOYSA-N -1 2 384.822 3.556 20 10 GHCDLM CCc1ccc(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2)cc1C(=O)[O-] ZINC000325794509 839160310 /nfs/dbraw/zinc/16/03/10/839160310.db2.gz ZNPCERIKGIMBIL-UHFFFAOYSA-N -1 2 390.244 3.760 20 10 GHCDLM Oc1cc(F)cc(F)c1C[N@H+]1CC[C@H]2OCCC[C@@]2(COc2ccccn2)C1 ZINC001140581336 1022001713 /nfs/dbraw/zinc/00/17/13/1022001713.db2.gz PAAOFBLVXLFOTP-CTNGQTDRSA-N -1 2 390.430 3.516 20 10 GHCDLM Cc1ccc(-c2csc(NS(=O)(=O)c3cc(F)ccc3C(=O)[O-])n2)cc1 ZINC000738493022 600052429 /nfs/dbraw/zinc/05/24/29/600052429.db2.gz LGSNAZFKTPNAJG-UHFFFAOYSA-N -1 2 392.433 3.757 20 10 GHCDLM Cc1ccccc1-c1csc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)n1 ZINC000738749121 600055322 /nfs/dbraw/zinc/05/53/22/600055322.db2.gz CJKLRUZAURDYFU-UHFFFAOYSA-N -1 2 380.472 3.679 20 10 GHCDLM O=C([O-])c1ccc2c(c1)C[N@H+](Cc1c(O)ccc(C(=O)c3ccccc3)c1[O-])C2 ZINC000740203598 600078833 /nfs/dbraw/zinc/07/88/33/600078833.db2.gz SHZMLRXBYFZAEG-UHFFFAOYSA-N -1 2 389.407 3.543 20 10 GHCDLM O=C([O-])c1ccc2c(c1)C[N@@H+](Cc1c(O)ccc(C(=O)c3ccccc3)c1[O-])C2 ZINC000740203598 600078837 /nfs/dbraw/zinc/07/88/37/600078837.db2.gz SHZMLRXBYFZAEG-UHFFFAOYSA-N -1 2 389.407 3.543 20 10 GHCDLM Cc1ccc(-c2csc(NS(=O)(=O)c3ccc(C(=O)[O-])cc3)n2)cc1C ZINC000832907431 601127266 /nfs/dbraw/zinc/12/72/66/601127266.db2.gz WYKSOINISJZJNW-UHFFFAOYSA-N -1 2 388.470 3.926 20 10 GHCDLM Cc1ccc(-c2csc(NS(=O)(=O)c3ccc(C(=O)[O-])cc3)n2)c(C)c1 ZINC000832907373 601149510 /nfs/dbraw/zinc/14/95/10/601149510.db2.gz SZLRCJXNWFWPLL-UHFFFAOYSA-N -1 2 388.470 3.926 20 10 GHCDLM O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)Nc2ccc(O)c(Cl)c2)c1 ZINC000776748837 879923347 /nfs/dbraw/zinc/92/33/47/879923347.db2.gz KVZOHKOGAYKLBH-UHFFFAOYSA-N -1 2 396.635 3.851 20 10 GHCDLM Cc1cnc(N2CC[NH+](Cc3cc(C)cc(Br)c3O)CC2)s1 ZINC000781914004 931026663 /nfs/dbraw/zinc/02/66/63/931026663.db2.gz VQSNPOCJMSSMRV-UHFFFAOYSA-N -1 2 382.327 3.550 20 10 GHCDLM Oc1cc(Br)ccc1C[N@@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC001204675040 1033025518 /nfs/dbraw/zinc/02/55/18/1033025518.db2.gz XJUQPCOUIJWUMD-UHFFFAOYSA-N -1 2 384.277 3.899 20 10 GHCDLM CCOC(=O)c1nc2c(o1)CC[N@H+](Cc1cccc(-c3ccccc3)c1O)C2 ZINC001234996337 1040490084 /nfs/dbraw/zinc/49/00/84/1040490084.db2.gz AUZIYRXOXPFXCF-UHFFFAOYSA-N -1 2 378.428 3.782 20 10 GHCDLM COC(=O)[C@@H]1C[N@H+](Cc2cc(C)cc(Br)c2[O-])Cc2ccccc21 ZINC001236668714 1041816088 /nfs/dbraw/zinc/81/60/88/1041816088.db2.gz DWIQUXWDQCUQDH-MRXNPFEDSA-N -1 2 390.277 3.736 20 10 GHCDLM Oc1c(I)cccc1C[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC001237780953 1042365497 /nfs/dbraw/zinc/36/54/97/1042365497.db2.gz ZLCNTNFBEUNVFO-OAHLLOKOSA-N -1 2 380.229 3.729 20 10 GHCDLM COC(=O)[C@]1(C)CC[N@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)C1 ZINC001237785331 1042368125 /nfs/dbraw/zinc/36/81/25/1042368125.db2.gz FWNOPVUOLMEPKD-CQSZACIVSA-N -1 2 396.203 3.559 20 10 GHCDLM CCOc1ccccc1C[N@@H+]1CCN(Cc2cc(F)cc(F)c2O)[C@H](C)C1 ZINC001474470154 1074420611 /nfs/dbraw/zinc/42/06/11/1074420611.db2.gz ARGZKKHLQPYOAT-OAHLLOKOSA-N -1 2 376.447 3.775 20 10 GHCDLM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1nc(-c2cccs2)cs1 ZINC000738276892 599966146 /nfs/dbraw/zinc/96/61/46/599966146.db2.gz IVQSBWFYSYOKKV-UHFFFAOYSA-N -1 2 380.472 3.679 20 10 GHCDLM Cc1oc(C)c(S(=O)(=O)Nc2nc(-c3ccc(C)cc3)cs2)c1C(=O)[O-] ZINC000738491794 600052573 /nfs/dbraw/zinc/05/25/73/600052573.db2.gz CFARSPXXKBMLPH-UHFFFAOYSA-N -1 2 392.458 3.827 20 10 GHCDLM Cc1ccc(-c2csc(NS(=O)(=O)c3ccc(CC(=O)[O-])cc3)n2)s1 ZINC000738493053 600244439 /nfs/dbraw/zinc/24/44/39/600244439.db2.gz MNUYJVMQBAYRTG-UHFFFAOYSA-N -1 2 394.499 3.608 20 10 GHCDLM CC1CCN(c2cccc(NS(=O)(=O)c3cc(C(=O)[O-])ccc3F)c2)CC1 ZINC000736801614 600658852 /nfs/dbraw/zinc/65/88/52/600658852.db2.gz MMMVEBOZANDOTL-UHFFFAOYSA-N -1 2 392.452 3.561 20 10 GHCDLM C[N@H+](Cc1ncnn1CC(F)F)Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000782978517 838586672 /nfs/dbraw/zinc/58/66/72/838586672.db2.gz FXHJLELTUOWXSN-UHFFFAOYSA-N -1 2 376.407 3.506 20 10 GHCDLM Cc1ccc(-c2csc(NS(=O)(=O)c3cccc(C(=O)[O-])c3C)n2)s1 ZINC000738492943 599966993 /nfs/dbraw/zinc/96/69/93/599966993.db2.gz KSQNEIZAGLARHN-UHFFFAOYSA-N -1 2 394.499 3.987 20 10 GHCDLM Cc1sc(NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)nc1-c1ccccc1 ZINC000738997969 600244342 /nfs/dbraw/zinc/24/43/42/600244342.db2.gz ZREKYQRCMZVCSO-UHFFFAOYSA-N -1 2 388.470 3.546 20 10 GHCDLM O=C([O-])c1cc(S(=O)(=O)Nc2nc(-c3cccc4ccccc43)cs2)c[nH]1 ZINC000833306484 600976291 /nfs/dbraw/zinc/97/62/91/600976291.db2.gz XWKBZEDTHNJISE-UHFFFAOYSA-N -1 2 399.453 3.790 20 10 GHCDLM Cc1sc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)nc1-c1cccc(Cl)c1 ZINC000833037442 600977172 /nfs/dbraw/zinc/97/71/72/600977172.db2.gz YHIKKHGVGXOBKB-UHFFFAOYSA-N -1 2 397.865 3.599 20 10 GHCDLM C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)Cc1cccc(Br)c1[O-] ZINC000179940905 878228366 /nfs/dbraw/zinc/22/83/66/878228366.db2.gz SFBPLPYVCLZEGP-LBPRGKRZSA-N -1 2 398.322 3.751 20 10 GHCDLM COc1ccnc(OC2CCN(Cc3c(O)ccc(Cl)c3Cl)CC2)n1 ZINC001237085708 1042028877 /nfs/dbraw/zinc/02/88/77/1042028877.db2.gz GCFVIACIJKMEGX-UHFFFAOYSA-N -1 2 384.263 3.541 20 10 GHCDLM O=C([O-])c1ccc(Cl)cc1S(=O)(=O)Nc1nc(-c2ccccc2)cs1 ZINC000740140771 600050629 /nfs/dbraw/zinc/05/06/29/600050629.db2.gz NHIWOMWMTFPDDN-UHFFFAOYSA-N -1 2 394.861 3.963 20 10 GHCDLM Cc1ccc(-c2csc(NS(=O)(=O)c3ccc(F)c(C(=O)[O-])c3)n2)s1 ZINC000013030378 601357904 /nfs/dbraw/zinc/35/79/04/601357904.db2.gz KHVYPVFZHOGNPR-UHFFFAOYSA-N -1 2 398.462 3.818 20 10 GHCDLM O=C([O-])c1cc(S(=O)(=O)Nc2nc(-c3ccc(F)cc3)cs2)ccc1F ZINC000833306389 601359317 /nfs/dbraw/zinc/35/93/17/601359317.db2.gz PPLQBDREXFPFQB-UHFFFAOYSA-N -1 2 396.396 3.587 20 10 GHCDLM Oc1c(Br)cc(Br)cc1C[N@@H+]1CC[C@@H]2OCC[C@H]2C1 ZINC001203568846 1027438882 /nfs/dbraw/zinc/43/88/82/1027438882.db2.gz XTCJNBUSLCRRJL-ZANVPECISA-N -1 2 391.103 3.528 20 10 GHCDLM COc1ccc(C[N@@H+]2CCC[C@@H]2CN(C)C(=O)OC(C)(C)C)c(O)c1Cl ZINC001236810313 1041910439 /nfs/dbraw/zinc/91/04/39/1041910439.db2.gz SMAAOCVYSGXXAP-CQSZACIVSA-N -1 2 384.904 3.886 20 10 GHCDLM COc1cc(O)c(C[N@H+]2CCC(=O)[C@@H](C)C23CCCC3)c(Br)c1 ZINC001237069089 1042019292 /nfs/dbraw/zinc/01/92/92/1042019292.db2.gz YNPVSMRFLZOUIP-GFCCVEGCSA-N -1 2 382.298 3.887 20 10 GHCDLM O=C([O-])c1c(F)cccc1S(=O)(=O)Nc1nc(-c2cccc(F)c2)cs1 ZINC000833294084 601847660 /nfs/dbraw/zinc/84/76/60/601847660.db2.gz MFXKBMCXTFXMBW-UHFFFAOYSA-N -1 2 396.396 3.587 20 10 GHCDLM Cc1cc(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2)ccc1C(=O)[O-] ZINC000323735975 851081203 /nfs/dbraw/zinc/08/12/03/851081203.db2.gz OKTCGTLGCGRBBY-UHFFFAOYSA-N -1 2 376.217 3.506 20 10 GHCDLM Cc1c(NS(=O)(=O)c2cc(F)cc(F)c2[O-])cnn1-c1cc(C)ccc1C ZINC000821192593 897756129 /nfs/dbraw/zinc/75/61/29/897756129.db2.gz VQSCIEMJHQQPJX-UHFFFAOYSA-N -1 2 393.415 3.582 20 10 GHCDLM O=C([O-])/C=C\c1ccc(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2)cc1 ZINC000392395158 972479414 /nfs/dbraw/zinc/47/94/14/972479414.db2.gz RLSCWBNXDTVHQW-UTCJRWHESA-N -1 2 388.228 3.598 20 10 GHCDLM COC(=O)[C@@]1(C)CC[N@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)C1 ZINC001237785330 1042368494 /nfs/dbraw/zinc/36/84/94/1042368494.db2.gz FWNOPVUOLMEPKD-AWEZNQCLSA-N -1 2 396.203 3.559 20 10 GHCDLM O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2nc(-c3ccccc3F)cs2)c1 ZINC000740144448 600056316 /nfs/dbraw/zinc/05/63/16/600056316.db2.gz QHPDXABIBCBEEO-UHFFFAOYSA-N -1 2 396.396 3.587 20 10 GHCDLM O=C([O-])c1c(F)cccc1S(=O)(=O)Nc1nc(-c2ccccc2F)cs1 ZINC000833293755 601847685 /nfs/dbraw/zinc/84/76/85/601847685.db2.gz HCJPAGUIEXRDRG-UHFFFAOYSA-N -1 2 396.396 3.587 20 10 GHCDLM O=C([O-])c1cc(NS(=O)(=O)c2c(Cl)cccc2C(F)(F)F)ccc1O ZINC000757655742 929760928 /nfs/dbraw/zinc/76/09/28/929760928.db2.gz LOSKVTQHBFBRGS-UHFFFAOYSA-N -1 2 395.742 3.563 20 10 GHCDLM COC(=O)c1c(C)cccc1S(=O)(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000758161299 929952974 /nfs/dbraw/zinc/95/29/74/929952974.db2.gz BIQLKWCZZHLGGA-UHFFFAOYSA-N -1 2 390.244 3.595 20 10 GHCDLM Cc1cccc(NC(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3O)CC2)c1 ZINC001233079621 1038844926 /nfs/dbraw/zinc/84/49/26/1038844926.db2.gz HNGAGIDTIAWOPF-UHFFFAOYSA-N -1 2 375.419 3.765 20 10 GHCDLM Cc1ccc(-c2csc(NS(=O)(=O)c3cccc(C)c3C(=O)[O-])n2)cc1 ZINC000738493023 600052615 /nfs/dbraw/zinc/05/26/15/600052615.db2.gz LHWSREWBAMEYCN-UHFFFAOYSA-N -1 2 388.470 3.926 20 10 GHCDLM O=C([O-])c1ccc(F)cc1S(=O)(=O)Nc1nc(-c2cccc(F)c2)cs1 ZINC000740147098 600055713 /nfs/dbraw/zinc/05/57/13/600055713.db2.gz ZFCPYGMFSFOGIM-UHFFFAOYSA-N -1 2 396.396 3.587 20 10 GHCDLM Cc1sc(NS(=O)(=O)c2cccc(F)c2C(=O)[O-])nc1-c1ccccc1 ZINC000833036166 601847658 /nfs/dbraw/zinc/84/76/58/601847658.db2.gz CFNYAKKPYPCBFA-UHFFFAOYSA-N -1 2 392.433 3.757 20 10 GHCDLM O=C([O-])c1sc2ccccc2c1S(=O)(=O)Nc1ccc(O)c(Cl)c1 ZINC000325857922 971249367 /nfs/dbraw/zinc/24/93/67/971249367.db2.gz CPACTNGNSKILFD-UHFFFAOYSA-N -1 2 383.834 3.759 20 10 GHCDLM CCc1ccc(S(=O)(=O)Nc2nc(-c3ccc(C(=O)[O-])cc3)cs2)cc1 ZINC001597561916 988301826 /nfs/dbraw/zinc/30/18/26/988301826.db2.gz FVKNNRGGQCJFBS-UHFFFAOYSA-N -1 2 388.470 3.872 20 10 GHCDLM Oc1cc(F)cc(F)c1C[N@H+]1CC[C@@H]2OCCC[C@]2(COc2ccccn2)C1 ZINC001140581340 1022002291 /nfs/dbraw/zinc/00/22/91/1022002291.db2.gz PAAOFBLVXLFOTP-PZJWPPBQSA-N -1 2 390.430 3.516 20 10 GHCDLM COc1ccc(C[N@@H+]2CC[C@H](N3Cc4ccccc4NC3=O)C2)c(O)c1Cl ZINC001236810277 1041910387 /nfs/dbraw/zinc/91/03/87/1041910387.db2.gz RCSXOQWJIJCVFY-HNNXBMFYSA-N -1 2 387.867 3.676 20 10 GHCDLM COc1cc(C)nc(OC2CCN(Cc3c(O)ccc(Cl)c3Cl)CC2)n1 ZINC001237085893 1042028926 /nfs/dbraw/zinc/02/89/26/1042028926.db2.gz KQTSXKNYICJHCG-UHFFFAOYSA-N -1 2 398.290 3.849 20 10 GHCDLM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000738276889 599966153 /nfs/dbraw/zinc/96/61/53/599966153.db2.gz IOPAZBKXKBZUGB-UHFFFAOYSA-N -1 2 392.433 3.757 20 10 GHCDLM Cc1cc(S(=O)(=O)Nc2nc(-c3cccs3)cs2)ccc1C(=O)[O-] ZINC000832904541 600975431 /nfs/dbraw/zinc/97/54/31/600975431.db2.gz RBGPOSJWXDRTMP-UHFFFAOYSA-N -1 2 380.472 3.679 20 10 GHCDLM Oc1c(Br)cccc1C[NH+]1CCC(Oc2ncccc2F)CC1 ZINC000775207727 916265975 /nfs/dbraw/zinc/26/59/75/916265975.db2.gz XKFDJNQUUNILCG-UHFFFAOYSA-N -1 2 381.245 3.732 20 10 GHCDLM CCc1ccc(-c2csc(NS(=O)(=O)c3cccc(C(=O)[O-])c3)n2)s1 ZINC001597492023 988022937 /nfs/dbraw/zinc/02/29/37/988022937.db2.gz IIEPMXGUIFGKEE-UHFFFAOYSA-N -1 2 394.499 3.933 20 10 GHCDLM CCOC(=O)C[C@@H]1CC[N@@H+](Cc2cc(F)cc(Br)c2O)C[C@H]1C ZINC001235307103 1040781978 /nfs/dbraw/zinc/78/19/78/1040781978.db2.gz KWGYTFLZLPMWLN-NEPJUHHUSA-N -1 2 388.277 3.705 20 10 GHCDLM Cc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)c(CC(=O)[O-])s2)cc1 ZINC000738655193 600055932 /nfs/dbraw/zinc/05/59/32/600055932.db2.gz MLEGWPGTGAOYJZ-UHFFFAOYSA-N -1 2 388.470 3.546 20 10 GHCDLM O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2cccc(N3CCCCCC3)c2)c1 ZINC000740145040 600757557 /nfs/dbraw/zinc/75/75/57/600757557.db2.gz UVNQYLMMDAIBTF-UHFFFAOYSA-N -1 2 392.452 3.705 20 10 GHCDLM CC(C)c1sc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)nc1-c1ccccc1 ZINC000827179916 600975991 /nfs/dbraw/zinc/97/59/91/600975991.db2.gz HPWIVWRHKLTXLQ-UHFFFAOYSA-N -1 2 391.474 3.761 20 10 GHCDLM CC(C)c1cccc(S(=O)(=O)Nc2nc(-c3c[nH]c(C(=O)[O-])c3)cs2)c1 ZINC000827134151 600976067 /nfs/dbraw/zinc/97/60/67/600976067.db2.gz GJNHWMCVTQHNHN-UHFFFAOYSA-N -1 2 391.474 3.761 20 10 GHCDLM O=C([O-])c1cc(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)ccc1Cl ZINC000003351187 601843625 /nfs/dbraw/zinc/84/36/25/601843625.db2.gz LXCNTABZVLYFRN-UHFFFAOYSA-N -1 2 394.861 3.963 20 10 GHCDLM Cc1oc(C)c(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)c1C(=O)[O-] ZINC000738968807 600050231 /nfs/dbraw/zinc/05/02/31/600050231.db2.gz AUTHMEMABAFTDM-UHFFFAOYSA-N -1 2 378.431 3.519 20 10 GHCDLM Cc1cc(-c2csc(NS(=O)(=O)c3cc(C(=O)[O-])cs3)n2)c(C)o1 ZINC000738314403 600055957 /nfs/dbraw/zinc/05/59/57/600055957.db2.gz PNHAZSUXKHXMHJ-UHFFFAOYSA-N -1 2 384.460 3.580 20 10 GHCDLM Cc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3F)cs2)cc1C(=O)[O-] ZINC000832956726 600828322 /nfs/dbraw/zinc/82/83/22/600828322.db2.gz YCGCTPASGMNOKQ-UHFFFAOYSA-N -1 2 392.433 3.757 20 10 GHCDLM O=C(c1cccs1)N1CCC[C@@]2(CC[N@@H+](Cc3c(O)cc(F)cc3F)C2)C1 ZINC001140580666 1022000267 /nfs/dbraw/zinc/00/02/67/1022000267.db2.gz CJSNTVBQLXUXKF-FQEVSTJZSA-N -1 2 392.471 3.860 20 10 GHCDLM Cc1ccc(S(=O)(=O)Nc2nc(-c3c[nH]c(C(=O)[O-])c3)cs2)cc1Cl ZINC000738655348 600055259 /nfs/dbraw/zinc/05/52/59/600055259.db2.gz RIINMKFAIPUAOW-UHFFFAOYSA-N -1 2 397.865 3.599 20 10 GHCDLM Cc1cc(-c2csc(NS(=O)(=O)c3cc(F)ccc3C(=O)[O-])n2)c(C)o1 ZINC000738314318 600055861 /nfs/dbraw/zinc/05/58/61/600055861.db2.gz OAPCARMCRFBPJH-UHFFFAOYSA-N -1 2 396.421 3.658 20 10 GHCDLM COc1ccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)c(O)c1Cl ZINC001236801492 1041904065 /nfs/dbraw/zinc/90/40/65/1041904065.db2.gz KEHHJPNPYWMGOH-CQSZACIVSA-N -1 2 384.904 3.933 20 10 GHCDLM O=[N+]([O-])c1cc(NS(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)ccc1[O-] ZINC000795349198 910027321 /nfs/dbraw/zinc/02/73/21/910027321.db2.gz VWKFIBYLBKOSRJ-UHFFFAOYSA-N -1 2 396.730 3.773 20 10 GHCDLM O=C1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2cc(Cl)cc(F)c2O)N1CCC(F)(F)F ZINC001277386828 1033477458 /nfs/dbraw/zinc/47/74/58/1033477458.db2.gz CIVVADFROMEANB-ZIAGYGMSSA-N -1 2 394.796 3.702 20 10 GHCDLM CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1cc(C)cc(Br)c1O ZINC001236668942 1041816204 /nfs/dbraw/zinc/81/62/04/1041816204.db2.gz KCNDYJUJMXTRMA-NOLJZWGESA-N -1 2 382.298 3.627 20 10 GHCDLM O=C(CCCc1ccccc1)N[C@@H]1CCC[N@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001308758057 1050084881 /nfs/dbraw/zinc/08/48/81/1050084881.db2.gz LJNUIYHKGARYFV-GOSISDBHSA-N -1 2 388.458 3.774 20 10 GHCDLM CCc1ccc(-c2csc(NS(=O)(=O)c3cc(C(=O)[O-])cs3)n2)cc1 ZINC000737252861 600051852 /nfs/dbraw/zinc/05/18/52/600051852.db2.gz UECUXLSHZOKBAH-UHFFFAOYSA-N -1 2 394.499 3.933 20 10 GHCDLM O=C([O-])c1cc(-c2csc(NS(=O)(=O)c3cccc4ccccc43)n2)c[nH]1 ZINC000833294377 601501510 /nfs/dbraw/zinc/50/15/10/601501510.db2.gz PTBVYXROONYXGF-UHFFFAOYSA-N -1 2 399.453 3.790 20 10 GHCDLM CC(=O)c1cc(Cl)cc(C[NH+]2CCC(C(=O)N3CCC(C)CC3)CC2)c1O ZINC000267407701 909487293 /nfs/dbraw/zinc/48/72/93/909487293.db2.gz SGQIEXBCVKSNMU-UHFFFAOYSA-N -1 2 392.927 3.719 20 10 GHCDLM COC(=O)c1cc(C)ccc1S(=O)(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000758162451 929953915 /nfs/dbraw/zinc/95/39/15/929953915.db2.gz MEIHVMIRNBLFKH-UHFFFAOYSA-N -1 2 390.244 3.595 20 10 GHCDLM Cc1ccc(O[C@@H]2CC[N@H+](Cc3c(O)cc(Br)cc3F)C2)nc1 ZINC001233031346 1038785961 /nfs/dbraw/zinc/78/59/61/1038785961.db2.gz AABZKDDQUZXTBZ-CYBMUJFWSA-N -1 2 381.245 3.651 20 10 GHCDLM O=C1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2cc(Cl)c(Cl)cc2O)N1CC(F)F ZINC001277831108 1039829050 /nfs/dbraw/zinc/82/90/50/1039829050.db2.gz VNJBKBQHJYEBFV-CHWSQXEVSA-N -1 2 379.234 3.529 20 10 GHCDLM Cc1nc(-c2ccc(S(=O)(=O)[N-]c3ccc(O)c(F)c3F)s2)cs1 ZINC001259981653 1045340512 /nfs/dbraw/zinc/34/05/12/1045340512.db2.gz LWLXRXDGKJIAMB-UHFFFAOYSA-N -1 2 388.442 3.965 20 10 GHCDLM O=[N+]([O-])c1cc(NS(=O)(=O)c2csc3ccc(Cl)cc32)ccc1[O-] ZINC000753523255 1049724375 /nfs/dbraw/zinc/72/43/75/1049724375.db2.gz WNVUEKSAEQONKZ-UHFFFAOYSA-N -1 2 384.822 3.969 20 10 GHCDLM Cc1sc(NS(=O)(=O)c2cc(F)ccc2C(=O)[O-])nc1-c1ccccc1 ZINC000738996257 600052479 /nfs/dbraw/zinc/05/24/79/600052479.db2.gz OLJJSDPGGMHLMY-UHFFFAOYSA-N -1 2 392.433 3.757 20 10 GHCDLM Cc1ccc(-c2csc(NS(=O)(=O)c3cc(C(=O)[O-])cs3)n2)cc1 ZINC000738491818 600052520 /nfs/dbraw/zinc/05/25/20/600052520.db2.gz CTOPWYSXSZBGCP-UHFFFAOYSA-N -1 2 380.472 3.679 20 10 GHCDLM Cn1cc([C@@H]([NH2+]Cc2cc(Br)cc(F)c2O)c2ccccc2)cn1 ZINC001201971964 875959928 /nfs/dbraw/zinc/95/99/28/875959928.db2.gz PLPMSOVLGZLCKM-KRWDZBQOSA-N -1 2 390.256 3.907 20 10 GHCDLM Oc1cc(F)cc(F)c1C[NH+]1CCC(O)(c2ccc(Br)cc2)CC1 ZINC001140581432 1022002633 /nfs/dbraw/zinc/00/26/33/1022002633.db2.gz SENVSQPMNIGNFK-UHFFFAOYSA-N -1 2 398.247 3.917 20 10 GHCDLM Cc1cc(O)c(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)cc1Br ZINC001237681363 1042322406 /nfs/dbraw/zinc/32/24/06/1042322406.db2.gz SUCOMTDZTAUGNQ-KBPBESRZSA-N -1 2 397.313 3.657 20 10 GHCDLM Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000793416854 882194801 /nfs/dbraw/zinc/19/48/01/882194801.db2.gz RHBOAUIKAGHIRT-UHFFFAOYSA-N -1 2 394.207 3.646 20 10 GHCDLM Cc1cc(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2)cc(C(=O)[O-])c1C ZINC000775466636 918091301 /nfs/dbraw/zinc/09/13/01/918091301.db2.gz DUQJQVQIFNGJSM-UHFFFAOYSA-N -1 2 390.244 3.815 20 10 GHCDLM O=C([O-])c1ccc(F)cc1S(=O)(=O)Nc1nc(-c2cccs2)cs1 ZINC000740144414 600052242 /nfs/dbraw/zinc/05/22/42/600052242.db2.gz OGJDXLCGLJNXDG-UHFFFAOYSA-N -1 2 384.435 3.510 20 10 GHCDLM Cc1oc(C)c(S(=O)(=O)Nc2nc(-c3cccc(F)c3)cs2)c1C(=O)[O-] ZINC000738970244 600055273 /nfs/dbraw/zinc/05/52/73/600055273.db2.gz STWBRGNUFZSGTC-UHFFFAOYSA-N -1 2 396.421 3.658 20 10 GHCDLM O=C([O-])c1ccc(S(=O)(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)cc1 ZINC000833323994 601356696 /nfs/dbraw/zinc/35/66/96/601356696.db2.gz HCBRCOKPTSRYEO-UHFFFAOYSA-N -1 2 396.396 3.587 20 10 GHCDLM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc(O)cc2OC(C)C)c1Cl ZINC000762001559 885163691 /nfs/dbraw/zinc/16/36/91/885163691.db2.gz TVJISOXNOFVGAL-UHFFFAOYSA-N -1 2 399.852 3.640 20 10 GHCDLM CCc1ccc(-c2csc(NS(=O)(=O)c3cccc(C(=O)[O-])c3)n2)cc1 ZINC000012535986 956904285 /nfs/dbraw/zinc/90/42/85/956904285.db2.gz FUQXVIKQXCZGSR-UHFFFAOYSA-N -1 2 388.470 3.872 20 10 GHCDLM Oc1c(Cl)cccc1C[N@@H+]1CCC[C@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001231913503 1034987897 /nfs/dbraw/zinc/98/78/97/1034987897.db2.gz KULOETKEYPBSIH-LBPRGKRZSA-N -1 2 387.789 3.898 20 10 GHCDLM Cc1sc(NS(=O)(=O)c2cccc(C)c2C(=O)[O-])nc1-c1ccccc1 ZINC000738747286 600052330 /nfs/dbraw/zinc/05/23/30/600052330.db2.gz RKTOCGKIXAYLPR-UHFFFAOYSA-N -1 2 388.470 3.926 20 10 GHCDLM O=C([O-])c1ccc(-c2csc(NS(=O)(=O)c3cccc(F)c3F)n2)cc1 ZINC000740097427 600052362 /nfs/dbraw/zinc/05/23/62/600052362.db2.gz HXXYUPDBAHKYMS-UHFFFAOYSA-N -1 2 396.396 3.587 20 10 GHCDLM Cc1cc(-c2csc(NS(=O)(=O)c3cccc(C)c3C(=O)[O-])n2)c(C)o1 ZINC000738315235 600055799 /nfs/dbraw/zinc/05/57/99/600055799.db2.gz ZRHVKIQHDNJWRM-UHFFFAOYSA-N -1 2 392.458 3.827 20 10 GHCDLM C[C@](Cc1ccc(O)c(O)c1)(C(=O)[O-])N1N=C(CCC2CCCCC2)CC1=O ZINC001245943189 1037070329 /nfs/dbraw/zinc/07/03/29/1037070329.db2.gz PQTVJCCBHQRUOY-NRFANRHFSA-N -1 2 388.464 3.555 20 10 GHCDLM CCOC(=O)C[C@H]1CC[N@@H+](Cc2cc(F)cc(Br)c2O)C[C@@H]1C ZINC001235307104 1040781722 /nfs/dbraw/zinc/78/17/22/1040781722.db2.gz KWGYTFLZLPMWLN-NWDGAFQWSA-N -1 2 388.277 3.705 20 10 GHCDLM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1nc(-c2cccc(F)c2)cs1 ZINC000738277362 599967158 /nfs/dbraw/zinc/96/71/58/599967158.db2.gz UXWBLKWWPDLQGZ-UHFFFAOYSA-N -1 2 392.433 3.757 20 10 GHCDLM Cc1ccc(-c2csc(NS(=O)(=O)c3ccc(C(=O)[O-])c(C)c3)n2)s1 ZINC000832907155 600976595 /nfs/dbraw/zinc/97/65/95/600976595.db2.gz NVYMZUNDARRZCE-UHFFFAOYSA-N -1 2 394.499 3.987 20 10 GHCDLM Cc1cc(C)c(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2)cc1C(=O)[O-] ZINC000325928317 840254489 /nfs/dbraw/zinc/25/44/89/840254489.db2.gz UNEKUNCBZZKQCR-UHFFFAOYSA-N -1 2 390.244 3.815 20 10 GHCDLM O=C([O-])CCc1ccc(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2)cc1 ZINC000326227987 841683050 /nfs/dbraw/zinc/68/30/50/841683050.db2.gz UOEVCWAYTFSXEB-UHFFFAOYSA-N -1 2 390.244 3.517 20 10 GHCDLM Oc1ccc(F)cc1C[N@@H+]1Cc2ncn(CC3CC3)c2[C@H](COCC2CC2)C1 ZINC001140062635 1026842304 /nfs/dbraw/zinc/84/23/04/1026842304.db2.gz CDHOIYMUQJNESC-SFHVURJKSA-N -1 2 385.483 3.664 20 10 GHCDLM Oc1c(C[N@H+]2CCCN(c3ncccc3C(F)(F)F)CC2)ccc(F)c1F ZINC001233077697 1038842895 /nfs/dbraw/zinc/84/28/95/1038842895.db2.gz WRGUGFALCLEDRO-UHFFFAOYSA-N -1 2 387.352 3.797 20 10 GHCDLM C[C@@H](Oc1c(=O)c2c(O)c(O)c(O)cc2oc1-c1ccc(O)cc1)C1=CC=C[CH]1 ZINC001234740193 1040265784 /nfs/dbraw/zinc/26/57/84/1040265784.db2.gz UNHUTKNWPNNXCQ-LLVKDONJSA-N -1 2 393.371 3.750 20 10 GHCDLM COc1cccc(O[C@@H]2CCC[N@H+](Cc3ccc(OC)c(Cl)c3O)C2)n1 ZINC001236810276 1041910691 /nfs/dbraw/zinc/91/06/91/1041910691.db2.gz RBXUJAREJQQJJC-CQSZACIVSA-N -1 2 378.856 3.501 20 10 GHCDLM Cc1ccccc1-c1csc(NS(=O)(=O)c2cc(F)ccc2C(=O)[O-])n1 ZINC000738750267 600055277 /nfs/dbraw/zinc/05/52/77/600055277.db2.gz RXVBMSILMHNGRB-UHFFFAOYSA-N -1 2 392.433 3.757 20 10 GHCDLM Cc1ccc(-c2csc(NS(=O)(=O)c3cc(C(=O)[O-])ccc3C)n2)s1 ZINC000013030395 956909133 /nfs/dbraw/zinc/90/91/33/956909133.db2.gz NKIWFWNPMQDOBG-UHFFFAOYSA-N -1 2 394.499 3.987 20 10 GHCDLM O=C([O-])/C=C/c1ccc(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2)cc1 ZINC000392395160 972479729 /nfs/dbraw/zinc/47/97/29/972479729.db2.gz RLSCWBNXDTVHQW-ZZXKWVIFSA-N -1 2 388.228 3.598 20 10 GHCDLM Oc1c(Cl)cccc1C[N@@H+]1CCC[C@@H](Oc2cc(C(F)(F)F)ncn2)C1 ZINC001231913502 1034988122 /nfs/dbraw/zinc/98/81/22/1034988122.db2.gz KULOETKEYPBSIH-GFCCVEGCSA-N -1 2 387.789 3.898 20 10 GHCDLM COc1cc(C[N@H+](C)Cc2c(O)cc(Br)cc2F)cc(OC)c1 ZINC001233031112 1038784453 /nfs/dbraw/zinc/78/44/53/1038784453.db2.gz VZVAFMXMURBTBM-UHFFFAOYSA-N -1 2 384.245 3.943 20 10 GHCDLM COC(=O)c1ccc(OC2CC[NH+](Cc3c(O)ccc(F)c3F)CC2)cc1 ZINC001233334807 1039133241 /nfs/dbraw/zinc/13/32/41/1039133241.db2.gz UQFFCBJMODPLLU-UHFFFAOYSA-N -1 2 377.387 3.500 20 10 GHCDLM O=C([O-])c1cc(O)ccc1NS(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000776433051 876478285 /nfs/dbraw/zinc/47/82/85/876478285.db2.gz KQEXXJSELZYEDK-UHFFFAOYSA-N -1 2 395.742 3.563 20 10 GHCDLM Cc1nocc1C[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000877563063 893690945 /nfs/dbraw/zinc/69/09/45/893690945.db2.gz FWIFWXAZSQKEEY-UHFFFAOYSA-N -1 2 376.048 3.503 20 10 GHCDLM COc1ccc(O[C@@H]2CCC[N@H+](Cc3ccc(OC)c(Cl)c3O)C2)nc1 ZINC001236810600 1041910532 /nfs/dbraw/zinc/91/05/32/1041910532.db2.gz VCKLOOAAGZZGHR-OAHLLOKOSA-N -1 2 378.856 3.501 20 10 GHCDLM O=C([O-])c1c(F)cccc1S(=O)(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000833293698 601847609 /nfs/dbraw/zinc/84/76/09/601847609.db2.gz GFKUGWGREIQMJE-UHFFFAOYSA-N -1 2 396.396 3.587 20 10 GHCDLM Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000325944779 840257950 /nfs/dbraw/zinc/25/79/50/840257950.db2.gz ZTXDOFSGWUGGFN-UHFFFAOYSA-N -1 2 394.207 3.646 20 10 GHCDLM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2)c1C ZINC000326219588 841676376 /nfs/dbraw/zinc/67/63/76/841676376.db2.gz SMATWMQVBRHTLP-UHFFFAOYSA-N -1 2 390.244 3.815 20 10 GHCDLM C[N@H+](Cc1nccn1CC(F)(F)F)Cc1cc(Br)ccc1O ZINC000271147502 910794731 /nfs/dbraw/zinc/79/47/31/910794731.db2.gz ISGMWWKBWBSQFI-UHFFFAOYSA-N -1 2 378.192 3.546 20 10 GHCDLM Cc1ccc(-c2csc(NS(=O)(=O)c3cc(F)ccc3C(=O)[O-])n2)s1 ZINC000738493641 600054730 /nfs/dbraw/zinc/05/47/30/600054730.db2.gz WCDHOEGHXRRSJG-UHFFFAOYSA-N -1 2 398.462 3.818 20 10 GHCDLM Cc1cc(S(=O)(=O)Nc2nc(-c3ccc(F)cc3)cs2)ccc1C(=O)[O-] ZINC000832904288 600975495 /nfs/dbraw/zinc/97/54/95/600975495.db2.gz DXGDKWDOQRTPLZ-UHFFFAOYSA-N -1 2 392.433 3.757 20 10 GHCDLM C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)Cc1cccc(Br)c1[O-] ZINC000179940922 878227737 /nfs/dbraw/zinc/22/77/37/878227737.db2.gz SFBPLPYVCLZEGP-GFCCVEGCSA-N -1 2 398.322 3.751 20 10 GHCDLM Oc1ccc(F)cc1C[NH+]1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000778992334 902626566 /nfs/dbraw/zinc/62/65/66/902626566.db2.gz IRXUBAHBZARVEH-UHFFFAOYSA-N -1 2 389.780 3.921 20 10 GHCDLM COc1c(O)c(C[NH2+]Cc2nc(-c3ccccc3F)cs2)ccc1[N+](=O)[O-] ZINC000368217027 922535420 /nfs/dbraw/zinc/53/54/20/922535420.db2.gz SISMCCDGPSFDBC-UHFFFAOYSA-N -1 2 389.408 3.861 20 10 GHCDLM Cc1ccc(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2)c(C)c1C(=O)[O-] ZINC000758164716 929955319 /nfs/dbraw/zinc/95/53/19/929955319.db2.gz ZOMLVDZLUJVTPW-UHFFFAOYSA-N -1 2 390.244 3.815 20 10 GHCDLM Cc1ccc(-c2csc(NS(=O)(=O)c3cc(C(=O)[O-])cs3)n2)cc1C ZINC000738493893 600052056 /nfs/dbraw/zinc/05/20/56/600052056.db2.gz ZULCPRHOVJHTDO-UHFFFAOYSA-N -1 2 394.499 3.987 20 10 GHCDLM Cc1ccc(S(=O)(=O)Nc2nc(-c3c[nH]c(C(=O)[O-])c3)cs2)c(Cl)c1 ZINC000738654886 600055255 /nfs/dbraw/zinc/05/52/55/600055255.db2.gz LYLRVTUIGOKTOI-UHFFFAOYSA-N -1 2 397.865 3.599 20 10 GHCDLM O=[N+]([O-])c1cc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)ccc1[O-] ZINC000775286042 916801636 /nfs/dbraw/zinc/80/16/36/916801636.db2.gz LBOQTQJOLRIBCW-UHFFFAOYSA-N -1 2 396.730 3.773 20 10 GHCDLM CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]Cc2cc(Cl)cc(F)c2O)c1 ZINC000840956437 1027985540 /nfs/dbraw/zinc/98/55/40/1027985540.db2.gz QUUYMZCKKYSJBP-UHFFFAOYSA-N -1 2 392.279 3.922 20 10 GHCDLM O=C(CCCc1ccccc1)N[C@H]1CCC[N@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001308758059 1050085003 /nfs/dbraw/zinc/08/50/03/1050085003.db2.gz LJNUIYHKGARYFV-SFHVURJKSA-N -1 2 388.458 3.774 20 10 GHCDLM Cc1ccccc1S(=O)(=O)Nc1nc(-c2ccccc2)c(CC(=O)[O-])s1 ZINC000738785217 600056177 /nfs/dbraw/zinc/05/61/77/600056177.db2.gz LCRONUTZORWKPL-UHFFFAOYSA-N -1 2 388.470 3.546 20 10 GHCDLM Cc1ccc(-c2csc(NS(=O)(=O)c3cccc(F)c3C(=O)[O-])n2)cc1 ZINC000832907601 601847637 /nfs/dbraw/zinc/84/76/37/601847637.db2.gz XYDLAHRFUUDGPJ-UHFFFAOYSA-N -1 2 392.433 3.757 20 10 GHCDLM COCc1ccc(OC)c(S(=O)(=O)Nc2cc(Cl)c([O-])c(Cl)c2)c1 ZINC000795346827 910028222 /nfs/dbraw/zinc/02/82/22/910028222.db2.gz YFUMBCJPLBSJSW-UHFFFAOYSA-N -1 2 392.260 3.655 20 10 GHCDLM Oc1cc(Cl)c(Cl)cc1CN1C[C@H](Oc2ccccn2)[C@H]2OCCC[C@H]21 ZINC001236791961 1041897229 /nfs/dbraw/zinc/89/72/29/1041897229.db2.gz CQINZJUDANBPCU-AYBZRNKSSA-N -1 2 395.286 3.905 20 10 GHCDLM COc1ccc(O[C@H]2CCC[N@H+](Cc3ccc(OC)c(Cl)c3O)C2)nc1 ZINC001236810598 1041910376 /nfs/dbraw/zinc/91/03/76/1041910376.db2.gz VCKLOOAAGZZGHR-HNNXBMFYSA-N -1 2 378.856 3.501 20 10 GHCDLM Oc1c(I)cccc1C[N@H+]1CCC[C@H]1c1ccccn1 ZINC001237780720 1042365864 /nfs/dbraw/zinc/36/58/64/1042365864.db2.gz WECKMZQHUVXHBE-HNNXBMFYSA-N -1 2 380.229 3.729 20 10 GHCDLM Cc1cccc(S(=O)(=O)Nc2nc(-c3cccs3)cs2)c1C(=O)[O-] ZINC000738747590 600052465 /nfs/dbraw/zinc/05/24/65/600052465.db2.gz XJODIOKYHLKRDU-UHFFFAOYSA-N -1 2 380.472 3.679 20 10 GHCDLM Cc1sc(NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)nc1-c1ccccc1 ZINC000833758483 605167951 /nfs/dbraw/zinc/16/79/51/605167951.db2.gz ZOTBRPQCSNCCII-UHFFFAOYSA-N -1 2 392.433 3.757 20 10 GHCDLM Oc1cc(F)c(Br)cc1C[N@@H+]1CCCN(c2ccc(F)cn2)CC1 ZINC001144299002 901646748 /nfs/dbraw/zinc/64/67/48/901646748.db2.gz OIKXTTUMBFZISM-UHFFFAOYSA-N -1 2 398.251 3.540 20 10 GHCDLM O=C1c2ccccc2C(=O)c2cc(Nc3ccc([O-])c([N+](=O)[O-])c3)c(O)cc21 ZINC001210399656 1027490752 /nfs/dbraw/zinc/49/07/52/1027490752.db2.gz XSKGYCZURJSGBF-UHFFFAOYSA-N -1 2 376.324 3.525 20 10 GHCDLM Oc1c(I)cccc1C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC001237780721 1042365404 /nfs/dbraw/zinc/36/54/04/1042365404.db2.gz WECKMZQHUVXHBE-OAHLLOKOSA-N -1 2 380.229 3.729 20 10 GHCDLM Cc1ccccc1-c1csc(NS(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)n1 ZINC000832904373 600976613 /nfs/dbraw/zinc/97/66/13/600976613.db2.gz JHCLUYBFUQQPRG-UHFFFAOYSA-N -1 2 388.470 3.926 20 10 GHCDLM O=C(c1cccs1)N1CCC[C@]2(CC[N@@H+](Cc3c(O)cc(F)cc3F)C2)C1 ZINC001140580667 1022000595 /nfs/dbraw/zinc/00/05/95/1022000595.db2.gz CJSNTVBQLXUXKF-HXUWFJFHSA-N -1 2 392.471 3.860 20 10 GHCDLM Cc1ccc(-c2csc(NS(=O)(=O)c3c(C)oc(C)c3C(=O)[O-])n2)s1 ZINC000738493563 600054694 /nfs/dbraw/zinc/05/46/94/600054694.db2.gz RCQXVGGWOCTVNA-UHFFFAOYSA-N -1 2 398.487 3.889 20 10 GHCDLM Cc1ccc(-c2csc(NS(=O)(=O)c3ccc(CC(=O)[O-])cc3)n2)cc1 ZINC000738493092 600244582 /nfs/dbraw/zinc/24/45/82/600244582.db2.gz NBHQVZAUMMOVGP-UHFFFAOYSA-N -1 2 388.470 3.546 20 10 GHCDLM CCc1ccc(-c2csc(NS(=O)(=O)c3ccc(C(=O)[O-])cc3)n2)cc1 ZINC000830229275 601127288 /nfs/dbraw/zinc/12/72/88/601127288.db2.gz OPPINNVMCMNMSF-UHFFFAOYSA-N -1 2 388.470 3.872 20 10 GHCDLM Oc1c(Br)cc(Br)cc1C[N@@H+]1CC[C@H]2OCC[C@H]2C1 ZINC001203568844 1027438308 /nfs/dbraw/zinc/43/83/08/1027438308.db2.gz XTCJNBUSLCRRJL-TVQRCGJNSA-N -1 2 391.103 3.528 20 10 GHCDLM COC(=O)C[N@H+](Cc1cc(Cl)ccc1O)CC(C)(C)Oc1ccccc1 ZINC001461976488 1069925025 /nfs/dbraw/zinc/92/50/25/1069925025.db2.gz RMTQJHLUKYHMEZ-UHFFFAOYSA-N -1 2 377.868 3.878 20 10 GHCDLM COC(=O)c1cccc2c1CC[N@H+](Cc1cc(C)cc(Br)c1O)C2 ZINC001236668836 1041816529 /nfs/dbraw/zinc/81/65/29/1041816529.db2.gz DZWWCBGDIKSTDK-UHFFFAOYSA-N -1 2 390.277 3.808 20 10 GHCDLM CC(C)(C)NC(=O)CO[C@@H]1CCC[N@@H+](Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001237084589 1042028707 /nfs/dbraw/zinc/02/87/07/1042028707.db2.gz LMXAIDPDTFXZFN-GFCCVEGCSA-N -1 2 389.323 3.595 20 10 GHCDLM O=C(Cc1ccccc1)N1CCC[N@H+](Cc2c(O)ccc(Cl)c2Cl)CC1 ZINC001237085064 1042028971 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3.757 20 10 GHCDLM COc1cc(O)c(C[N@@H+]2CCC[C@@H]3[C@@H]2CN3C(=O)OC(C)(C)C)c(Cl)c1 ZINC001236794896 1041899968 /nfs/dbraw/zinc/89/99/68/1041899968.db2.gz FNOPEGYRVGOPAB-CVEARBPZSA-N -1 2 382.888 3.638 20 10 GHCDLM Cc1cc(O)c(C[N@H+]2Cc3ccccc3C[C@H]2C(=O)N2CCCC2)cc1Cl ZINC001308826714 1050110669 /nfs/dbraw/zinc/11/06/69/1050110669.db2.gz XAIJZYZWFZHAMH-FQEVSTJZSA-N -1 2 384.907 3.903 20 10 GHCDLM CCOc1ccccc1C[N@@H+]1CCN(Cc2cc(F)cc(F)c2O)[C@@H](C)C1 ZINC001474470153 1074420603 /nfs/dbraw/zinc/42/06/03/1074420603.db2.gz ARGZKKHLQPYOAT-HNNXBMFYSA-N -1 2 376.447 3.775 20 10 GHCDLM Cc1oc(C)c(S(=O)(=O)Nc2nc(-c3ccccc3)c(C)s2)c1C(=O)[O-] ZINC000738968882 600052404 /nfs/dbraw/zinc/05/24/04/600052404.db2.gz FZDPWZXJUHWKBI-UHFFFAOYSA-N -1 2 392.458 3.827 20 10 GHCDLM Cc1cccc(S(=O)(=O)Nc2nc(-c3cccc(F)c3)cs2)c1C(=O)[O-] ZINC000738747363 600055289 /nfs/dbraw/zinc/05/52/89/600055289.db2.gz UWAFJQWMIWVCAD-UHFFFAOYSA-N -1 2 392.433 3.757 20 10 GHCDLM O=C([O-])c1cc(Cl)cc(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)c1 ZINC000833297198 600975385 /nfs/dbraw/zinc/97/53/85/600975385.db2.gz KWXOGUVRDGEBDG-UHFFFAOYSA-N -1 2 394.861 3.963 20 10 GHCDLM Cc1ccccc1-c1csc(NS(=O)(=O)c2csc(C(=O)[O-])c2)n1 ZINC000832974611 600976645 /nfs/dbraw/zinc/97/66/45/600976645.db2.gz KROPSCLGAOIQQJ-UHFFFAOYSA-N -1 2 380.472 3.679 20 10 GHCDLM Cc1cc(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2)cc(C(=O)[O-])c1F ZINC000325766867 838781507 /nfs/dbraw/zinc/78/15/07/838781507.db2.gz VOEFCLYIMWHPNO-UHFFFAOYSA-N -1 2 394.207 3.646 20 10 GHCDLM CC(C)(C)OC(=O)N[C@H]1C[N@H+](Cc2cc(Cl)ccc2O)CCC1(F)F ZINC001203664689 1027515750 /nfs/dbraw/zinc/51/57/50/1027515750.db2.gz QADYFFJFFHOFNF-AWEZNQCLSA-N -1 2 376.831 3.780 20 10 GHCDLM Cc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3C)cs2)cc1C(=O)[O-] ZINC000832956692 600828126 /nfs/dbraw/zinc/82/81/26/600828126.db2.gz TYXBWXVUXRYWRJ-UHFFFAOYSA-N -1 2 388.470 3.926 20 10 GHCDLM O=C([O-])c1cc(Cl)cc(S(=O)(=O)Nc2nc(-c3ccco3)cs2)c1 ZINC000833297142 600977342 /nfs/dbraw/zinc/97/73/42/600977342.db2.gz JFWBJPYTFVVXSF-UHFFFAOYSA-N 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ZINC000767475885 872559774 /nfs/dbraw/zinc/55/97/74/872559774.db2.gz SRQQSCIVVGBAHK-UHFFFAOYSA-N -1 2 383.640 3.557 20 10 GHCDLM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000322846122 886225511 /nfs/dbraw/zinc/22/55/11/886225511.db2.gz STKZOBDBBAOMOQ-UHFFFAOYSA-N -1 2 376.217 3.506 20 10 GHCDLM Oc1cc(F)cc(F)c1C[N@H+]1CC[C@H]2OCCC[C@]2(COc2ccccn2)C1 ZINC001140581342 1022002131 /nfs/dbraw/zinc/00/21/31/1022002131.db2.gz PAAOFBLVXLFOTP-TZIWHRDSSA-N -1 2 390.430 3.516 20 10 GHCDLM Cc1cc(-c2csc(NS(=O)(=O)c3cccc(C(=O)[O-])c3C)n2)c(C)o1 ZINC000738314384 599966815 /nfs/dbraw/zinc/96/68/15/599966815.db2.gz OYUKGSMLYPJOSM-UHFFFAOYSA-N -1 2 392.458 3.827 20 10 GHCDLM Cc1oc(C)c(S(=O)(=O)Nc2nc(-c3ccccc3C)cs2)c1C(=O)[O-] ZINC000738749997 600055159 /nfs/dbraw/zinc/05/51/59/600055159.db2.gz NAKVXYADJJPBRS-UHFFFAOYSA-N -1 2 392.458 3.827 20 10 GHCDLM O=C([O-])c1cc(S(=O)(=O)Nc2nc(-c3cccs3)cs2)ccc1F ZINC000038230116 601357821 /nfs/dbraw/zinc/35/78/21/601357821.db2.gz ZNEURLOZHXTQRO-UHFFFAOYSA-N -1 2 384.435 3.510 20 10 GHCDLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1nc(-c2ccccc2C)cs1 ZINC000833752866 604501145 /nfs/dbraw/zinc/50/11/45/604501145.db2.gz CFJRDPZQYVEQLR-UHFFFAOYSA-N -1 2 378.431 3.519 20 10 GHCDLM CCc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000326173441 841423481 /nfs/dbraw/zinc/42/34/81/841423481.db2.gz KLJVSYTXELQYPJ-UHFFFAOYSA-N -1 2 390.244 3.760 20 10 GHCDLM Oc1cc(F)c(Br)cc1C[N@@H+]1CCCC[C@](O)(C(F)(F)F)C1 ZINC001144298807 901646921 /nfs/dbraw/zinc/64/69/21/901646921.db2.gz JNXYSQHVTUFWGJ-CYBMUJFWSA-N -1 2 386.183 3.573 20 10 GHCDLM CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(Br)cc(F)c1O ZINC001276881374 1030525352 /nfs/dbraw/zinc/52/53/52/1030525352.db2.gz QQXUDVFTZOENMH-HZPDHXFCSA-N -1 2 399.304 3.659 20 10 GHCDLM COc1cc(O)c(C[N@@H+]2CCc3ccccc3C2)cc1I ZINC001248459194 1035880290 /nfs/dbraw/zinc/88/02/90/1035880290.db2.gz RNWRBJGACZVRNW-UHFFFAOYSA-N -1 2 395.240 3.564 20 10 GHCDLM Cc1ccc(-c2csc(NS(=O)(=O)c3ccc(C)c(C(=O)[O-])c3)n2)s1 ZINC000013030373 600827039 /nfs/dbraw/zinc/82/70/39/600827039.db2.gz RJCUJIVMHDMVAA-UHFFFAOYSA-N -1 2 394.499 3.987 20 10 GHCDLM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)Nc1cc(Cl)c([O-])cc1F ZINC000808114453 886025868 /nfs/dbraw/zinc/02/58/68/886025868.db2.gz YYZMKWSQDBGXKH-UHFFFAOYSA-N -1 2 381.168 3.547 20 10 GHCDLM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000322756809 886120651 /nfs/dbraw/zinc/12/06/51/886120651.db2.gz BOBVSMBCKNLHGA-UHFFFAOYSA-N -1 2 376.217 3.506 20 10 GHCDLM Cc1cc(O)c(C[N@H+]2Cc3ccccc3C[C@@H]2C(=O)N2CCCC2)cc1Cl ZINC001308826715 1050110975 /nfs/dbraw/zinc/11/09/75/1050110975.db2.gz XAIJZYZWFZHAMH-HXUWFJFHSA-N -1 2 384.907 3.903 20 10 GHCDLM Cc1ccc(-c2csc(NS(=O)(=O)c3ccc(C)c(C(=O)[O-])c3)n2)cc1 ZINC000832907336 600827745 /nfs/dbraw/zinc/82/77/45/600827745.db2.gz ROUJVIIFVQOUMF-UHFFFAOYSA-N -1 2 388.470 3.926 20 10 GHCDLM Cc1cc(C)c(-c2csc(NS(=O)(=O)c3c[nH]c(C(=O)[O-])c3)n2)c(C)c1 ZINC000832875074 600974667 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O=[N+]([O-])c1cc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)ccc1[O-] ZINC000753519918 1049717021 /nfs/dbraw/zinc/71/70/21/1049717021.db2.gz DAUMJQRURDESDF-UHFFFAOYSA-N -1 2 396.730 3.773 20 10 GHCDLM O=C([O-])c1csc(S(=O)(=O)Nc2nc(-c3cccc(F)c3)cs2)c1 ZINC000740272568 600055529 /nfs/dbraw/zinc/05/55/29/600055529.db2.gz YFQUQBMSUXRLMR-UHFFFAOYSA-N -1 2 384.435 3.510 20 10 GHCDLM Cc1oc(C)c(S(=O)(=O)Nc2nc(-c3ccccc3F)cs2)c1C(=O)[O-] ZINC000738969005 600056068 /nfs/dbraw/zinc/05/60/68/600056068.db2.gz GGOQHIOQDKDNFU-UHFFFAOYSA-N -1 2 396.421 3.658 20 10 GHCDLM O=C([O-])c1cc(S(=O)(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)c[nH]1 ZINC000833306490 600976213 /nfs/dbraw/zinc/97/62/13/600976213.db2.gz YEJDGPVWUVKNQK-UHFFFAOYSA-N -1 2 399.453 3.790 20 10 GHCDLM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2nc(-c3ccco3)cs2)c1C ZINC000832866645 601358940 /nfs/dbraw/zinc/35/89/40/601358940.db2.gz OXJXQASFYKVMQV-UHFFFAOYSA-N -1 2 378.431 3.519 20 10 GHCDLM Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC001139125549 1025937942 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600244368 /nfs/dbraw/zinc/24/43/68/600244368.db2.gz AGHSOIXSZADMIN-UHFFFAOYSA-N -1 2 388.470 3.546 20 10 GHCDLM Cc1sc(NS(=O)(=O)c2csc(C(=O)[O-])c2)nc1-c1ccccc1 ZINC000833036601 600975369 /nfs/dbraw/zinc/97/53/69/600975369.db2.gz KHHWZHAGVLSZGY-UHFFFAOYSA-N -1 2 380.472 3.679 20 10 GHCDLM CCc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1nc(-c2ccccc2F)cs1 ZINC001597792137 989331201 /nfs/dbraw/zinc/33/12/01/989331201.db2.gz YVCSSHLZJXPRID-UHFFFAOYSA-N -1 2 396.421 3.604 20 10 GHCDLM COC(=O)c1ccc(OC2CC[NH+](Cc3ccc(F)c(F)c3O)CC2)cc1 ZINC001233077612 1038840551 /nfs/dbraw/zinc/84/05/51/1038840551.db2.gz UEKSBYPKXSTWHY-UHFFFAOYSA-N -1 2 377.387 3.500 20 10 GHCDLM O=C(c1ccco1)N1CC[C@H]2C[N@H+](Cc3cc(Cl)c(Cl)cc3[O-])C[C@H]21 ZINC001236792008 1041896969 /nfs/dbraw/zinc/89/69/69/1041896969.db2.gz DQTMXSFYQHZWIO-XHDPSFHLSA-N -1 2 381.259 3.639 20 10 GHCDLM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(O)c3ccccc23)c(F)cc1Cl ZINC001259219877 1045017055 /nfs/dbraw/zinc/01/70/55/1045017055.db2.gz IUFHNINVGQFEBL-UHFFFAOYSA-N -1 2 395.795 3.837 20 10 GHCDLM Cc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)c(CC(=O)[O-])s2)s1 ZINC000738654752 600055935 /nfs/dbraw/zinc/05/59/35/600055935.db2.gz GUNHFDWNDKPVDF-UHFFFAOYSA-N -1 2 394.499 3.608 20 10 GHCDLM Cc1cc(Br)c(O)c(C[N@@H+](C)Cc2nccn2CC(F)(F)F)c1 ZINC000781912759 931026530 /nfs/dbraw/zinc/02/65/30/931026530.db2.gz QNVOFMNQKBREJC-UHFFFAOYSA-N -1 2 392.219 3.854 20 10 GHCDLM O=C1OC[C@@H]2[C@H]([N@@H+](Cc3ccccc3)Cc3c(O)cc(F)cc3F)CCCN12 ZINC001140583963 1022005363 /nfs/dbraw/zinc/00/53/63/1022005363.db2.gz ZVBGGCAIAMJOQS-RTBURBONSA-N -1 2 388.414 3.656 20 10 GHCDLM OCC[C@@H]1CCC[N@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)C1 ZINC001237791593 1042371761 /nfs/dbraw/zinc/37/17/61/1042371761.db2.gz KGCJOHVWUKHSTO-JTQLQIEISA-N -1 2 382.220 3.768 20 10 GHCDLM O=C([O-])c1ccc(S(=O)(=O)Nc2nc(-c3ccccc3F)cs2)s1 ZINC000740187157 600056207 /nfs/dbraw/zinc/05/62/07/600056207.db2.gz HXMRDLXEHAVHAQ-UHFFFAOYSA-N -1 2 384.435 3.510 20 10 GHCDLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1nc(-c2ccc(C)cc2)c(C)s1 ZINC000833746447 604501019 /nfs/dbraw/zinc/50/10/19/604501019.db2.gz GZMCLXYMGDZMTN-UHFFFAOYSA-N -1 2 392.458 3.827 20 10 GHCDLM O=C(Nc1ccc(F)cc1)N[C@@H]1CC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000792164507 880956907 /nfs/dbraw/zinc/95/69/07/880956907.db2.gz JVYYQEWNVHLLAG-CYBMUJFWSA-N -1 2 381.810 3.720 20 10 GHCDLM CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3cccc(C(F)(F)F)c3O)[C@@H]2C1 ZINC001233416405 1039271313 /nfs/dbraw/zinc/27/13/13/1039271313.db2.gz GYCCWQVSWMRMDH-IUODEOHRSA-N -1 2 386.414 3.852 20 10 GHCDLM Cc1ccc2c(c1)CN(Cc1cccc(I)c1O)CC2 ZINC001237775090 1042363454 /nfs/dbraw/zinc/36/34/54/1042363454.db2.gz CRULVJHEEMSHJB-UHFFFAOYSA-N -1 2 379.241 3.864 20 10 GHCDLM O=S(=O)(Nc1ccc2[n-]c(=S)sc2c1)c1ccc(Cl)c2nonc21 ZINC001261073032 1045888520 /nfs/dbraw/zinc/88/85/20/1045888520.db2.gz NTKQDPGCJNLLNO-UHFFFAOYSA-N -1 2 398.878 3.575 20 10 GHCDLM Cc1ccc(-c2csc(NS(=O)(=O)c3cccc(C(=O)[O-])c3C)n2)cc1 ZINC000738491886 599966957 /nfs/dbraw/zinc/96/69/57/599966957.db2.gz DURHEYMMESPGPC-UHFFFAOYSA-N -1 2 388.470 3.926 20 10 GHCDLM O=C([O-])c1ccc(F)cc1S(=O)(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000740144452 600052158 /nfs/dbraw/zinc/05/21/58/600052158.db2.gz OSPHVRAUDFGRQD-UHFFFAOYSA-N -1 2 396.396 3.587 20 10 GHCDLM Cc1sc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)nc1-c1ccccc1 ZINC000738997006 600052542 /nfs/dbraw/zinc/05/25/42/600052542.db2.gz QZRFJNDJVNLBSR-UHFFFAOYSA-N -1 2 380.472 3.679 20 10 GHCDLM O=C([O-])c1cc(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)c(F)cc1F ZINC000740089938 600422839 /nfs/dbraw/zinc/42/28/39/600422839.db2.gz OQCCOVAKVVWQGT-UHFFFAOYSA-N -1 2 396.396 3.587 20 10 GHCDLM Cc1sc(NS(=O)(=O)c2csc(C(=O)[O-])c2)nc1-c1ccc(C)cc1 ZINC000832908955 600976732 /nfs/dbraw/zinc/97/67/32/600976732.db2.gz SLZIPPIZBDHBRE-UHFFFAOYSA-N -1 2 394.499 3.987 20 10 GHCDLM O=C([O-])c1cc(S(=O)(=O)Nc2nc(-c3cccc(F)c3)cs2)ccc1F ZINC000833306370 601359616 /nfs/dbraw/zinc/35/96/16/601359616.db2.gz ORFVRNWVBVGMBK-UHFFFAOYSA-N -1 2 396.396 3.587 20 10 GHCDLM O=C([O-])c1cc(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2)ccc1Cl ZINC000322838886 886207035 /nfs/dbraw/zinc/20/70/35/886207035.db2.gz PNBWQUIYHJADSB-UHFFFAOYSA-N -1 2 396.635 3.851 20 10 GHCDLM Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)c1Cl ZINC000757653718 929760426 /nfs/dbraw/zinc/76/04/26/929760426.db2.gz CLJNYVBVQKINSA-UHFFFAOYSA-N -1 2 376.217 3.506 20 10 GHCDLM COc1cc(O)c(C[N@H+]2CCOC[C@H]2Cc2ccccc2)c(Br)c1 ZINC001237069074 1042019362 /nfs/dbraw/zinc/01/93/62/1042019362.db2.gz YDFJRPZJRZHCKH-OAHLLOKOSA-N -1 2 392.293 3.607 20 10 GHCDLM Cc1ccc(-c2csc(NS(=O)(=O)c3cc(C(=O)[O-])cs3)n2)c(C)c1 ZINC000738493889 600054294 /nfs/dbraw/zinc/05/42/94/600054294.db2.gz ZMKOUZAYKMVVPP-UHFFFAOYSA-N -1 2 394.499 3.987 20 10 GHCDLM O=[N+]([O-])c1cc(NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)ccc1[O-] ZINC000133737209 835475069 /nfs/dbraw/zinc/47/50/69/835475069.db2.gz RFRAESMKPISCOG-UHFFFAOYSA-N -1 2 396.730 3.773 20 10 GHCDLM O=C(Nc1cc2c(cc1O)C(=O)c1ccccc1C2=O)c1cccc([S-])c1 ZINC001186153282 914334616 /nfs/dbraw/zinc/33/46/16/914334616.db2.gz YTLAQWWDLNOSLP-UHFFFAOYSA-N -1 2 375.405 3.709 20 10 GHCDLM Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000756936665 1023875621 /nfs/dbraw/zinc/87/56/21/1023875621.db2.gz NQMYFRDWSREQFT-UHFFFAOYSA-N -1 2 385.388 3.601 20 10 GHCDLM Cc1ccnc(C[NH2+]Cc2cccc(Br)c2O)c1Br ZINC001474496467 1074432385 /nfs/dbraw/zinc/43/23/85/1074432385.db2.gz MXVKZYWRUCRYQI-UHFFFAOYSA-N -1 2 386.087 3.910 20 10 GHCDLM Cc1sc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)nc1-c1ccc(C)cc1 ZINC000738490649 600054218 /nfs/dbraw/zinc/05/42/18/600054218.db2.gz QHFOWJOMLCHCAE-UHFFFAOYSA-N -1 2 394.499 3.987 20 10 GHCDLM COc1c(O)c(C[N@@H+](C)Cc2ccc(Br)s2)ccc1[N+](=O)[O-] ZINC000774820001 913645473 /nfs/dbraw/zinc/64/54/73/913645473.db2.gz SNFHAZLLTHGCMW-UHFFFAOYSA-N -1 2 387.255 3.765 20 10 GHCDLM Oc1c(I)cccc1C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC001237780692 1042365822 /nfs/dbraw/zinc/36/58/22/1042365822.db2.gz VRNIYAUAAASGQQ-JTQLQIEISA-N -1 2 385.167 3.771 20 10 GHCDLM Cc1oc(C)c(S(=O)(=O)Nc2nc(-c3ccc(F)cc3)cs2)c1C(=O)[O-] ZINC000738968800 600052291 /nfs/dbraw/zinc/05/22/91/600052291.db2.gz AKFQMDRTMTWJEV-UHFFFAOYSA-N -1 2 396.421 3.658 20 10 GHCDLM O=C([O-])c1csc(S(=O)(=O)Nc2nc(-c3ccc(F)cc3)cs2)c1 ZINC000740270683 600052409 /nfs/dbraw/zinc/05/24/09/600052409.db2.gz ATQOMEZZLJYUNW-UHFFFAOYSA-N -1 2 384.435 3.510 20 10 GHCDLM Cc1ccc(-c2csc(NS(=O)(=O)c3ccc(C(=O)[O-])c(C)c3)n2)cc1 ZINC000832907387 600975539 /nfs/dbraw/zinc/97/55/39/600975539.db2.gz URNMTSJBSFFOCX-UHFFFAOYSA-N -1 2 388.470 3.926 20 10 GHCDLM O=C([O-])c1ccc(S(=O)(=O)Nc2nc(-c3ccccc3Cl)cs2)cc1 ZINC000833324207 601127905 /nfs/dbraw/zinc/12/79/05/601127905.db2.gz NXZPUXYSLSJCMR-UHFFFAOYSA-N -1 2 394.861 3.963 20 10 GHCDLM O=C([O-])c1cc(S(=O)(=O)Nc2nc(-c3ccccc3F)cs2)ccc1F ZINC000833306180 601359591 /nfs/dbraw/zinc/35/95/91/601359591.db2.gz IZXOKLCVWZKXMA-UHFFFAOYSA-N -1 2 396.396 3.587 20 10 GHCDLM Cc1ccc(-c2csc(NS(=O)(=O)c3cccc(F)c3C(=O)[O-])n2)s1 ZINC000832907230 601847696 /nfs/dbraw/zinc/84/76/96/601847696.db2.gz PNWYDTNBWWRFIR-UHFFFAOYSA-N -1 2 398.462 3.818 20 10 GHCDLM