smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1nc([C@@H]2CCCC[N@@H+]2Cc2ccsc2)c2c1CCOC2 ZINC000675011414 1083445649 /nfs/dbraw/zinc/44/56/49/1083445649.db2.gz PNWFRWBHFYETLN-INIZCTEOSA-N 1 2 317.458 3.282 50 0 DGAALO Cn1nc([C@@H]2CCCC[N@H+]2Cc2ccsc2)c2c1CCOC2 ZINC000675011414 1083445654 /nfs/dbraw/zinc/44/56/54/1083445654.db2.gz PNWFRWBHFYETLN-INIZCTEOSA-N 1 2 317.458 3.282 50 0 DGAALO CCc1nccc(C[N@H+](C)Cc2cc(Cl)ccc2OC)n1 ZINC000823556154 1091694796 /nfs/dbraw/zinc/69/47/96/1091694796.db2.gz WBAUQAZKCBQXLQ-UHFFFAOYSA-N 1 2 305.809 3.333 50 0 DGAALO CCc1nccc(C[N@@H+](C)Cc2cc(Cl)ccc2OC)n1 ZINC000823556154 1091694800 /nfs/dbraw/zinc/69/48/00/1091694800.db2.gz WBAUQAZKCBQXLQ-UHFFFAOYSA-N 1 2 305.809 3.333 50 0 DGAALO Cc1c[nH+]c(-c2ccncc2)n1[C@H]1CCCN(C(=O)C2CCC2)C1 ZINC000581806984 1092281263 /nfs/dbraw/zinc/28/12/63/1092281263.db2.gz GODCNBJSCPMVRK-KRWDZBQOSA-N 1 2 324.428 3.217 50 0 DGAALO Cc1cccc2c1ncn([C@H](Cn1cc[nH+]c1)C(C)(C)C)c2=O ZINC000043103039 1095996864 /nfs/dbraw/zinc/99/68/64/1095996864.db2.gz ANDGQAWXLNVVKG-OAHLLOKOSA-N 1 2 310.401 3.189 50 0 DGAALO Cc1cc(C(=O)NCc2[nH+]ccn2CCc2ccccc2)c(C)o1 ZINC000081931153 192340755 /nfs/dbraw/zinc/34/07/55/192340755.db2.gz HXQUMGSTXYCRBU-UHFFFAOYSA-N 1 2 323.396 3.266 50 0 DGAALO O=C(NCc1[nH+]ccn1CCCc1ccccc1)c1ccoc1 ZINC000081933380 192341353 /nfs/dbraw/zinc/34/13/53/192341353.db2.gz TUVZBCTXIGSCDF-UHFFFAOYSA-N 1 2 309.369 3.039 50 0 DGAALO Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)NCc2[nH+]ccn2C)o1 ZINC000078952679 185134293 /nfs/dbraw/zinc/13/42/93/185134293.db2.gz KHMQLNQRQMRSGF-OCCSQVGLSA-N 1 2 316.405 3.004 50 0 DGAALO CSc1ccc(C(=O)NCCn2c(C)[nH+]c3ccccc32)o1 ZINC000078998555 185144121 /nfs/dbraw/zinc/14/41/21/185144121.db2.gz UXUQKKYXXOIDGM-UHFFFAOYSA-N 1 2 315.398 3.090 50 0 DGAALO CCc1ccc(-c2cc(NC(=O)[C@@H](C)n3cc[nH+]c3)on2)cc1 ZINC000079099383 185158432 /nfs/dbraw/zinc/15/84/32/185158432.db2.gz WIJGNMXAYCXEBM-GFCCVEGCSA-N 1 2 310.357 3.300 50 0 DGAALO COCC[C@@H](C)NC(=O)c1ccc(C)c(Oc2cc[nH+]cc2)c1 ZINC000079357883 185166836 /nfs/dbraw/zinc/16/68/36/185166836.db2.gz PZHQYDVIIHONBU-CQSZACIVSA-N 1 2 314.385 3.337 50 0 DGAALO Cc1cccc2[nH+]c(CNc3cccc(Cl)c3C(N)=O)cn21 ZINC000083143373 185214163 /nfs/dbraw/zinc/21/41/63/185214163.db2.gz VXVWHSKJEHOZAY-UHFFFAOYSA-N 1 2 314.776 3.007 50 0 DGAALO CSc1ccccc1C[N@@H+]1CCN(c2ccccc2)C(=O)C1 ZINC000082083932 192354368 /nfs/dbraw/zinc/35/43/68/192354368.db2.gz ZPFKRYPZCJOIOB-UHFFFAOYSA-N 1 2 312.438 3.257 50 0 DGAALO CSc1ccccc1C[N@H+]1CCN(c2ccccc2)C(=O)C1 ZINC000082083932 192354369 /nfs/dbraw/zinc/35/43/69/192354369.db2.gz ZPFKRYPZCJOIOB-UHFFFAOYSA-N 1 2 312.438 3.257 50 0 DGAALO Cc1ccc(C(=O)N2CCC[C@@H](c3[nH+]ccn3CC3CC3)C2)cn1 ZINC000082136876 192360201 /nfs/dbraw/zinc/36/02/01/192360201.db2.gz VKWVZKHRCLDSLG-QGZVFWFLSA-N 1 2 324.428 3.016 50 0 DGAALO CC(C)=CC(=O)Nc1ccc(CC(=O)Nc2cc[nH+]c(C)c2)cc1 ZINC000095403558 185355154 /nfs/dbraw/zinc/35/51/54/185355154.db2.gz RMNQSPSNLOBWQN-UHFFFAOYSA-N 1 2 323.396 3.476 50 0 DGAALO C(c1ccccc1)=C1CCN(c2cc(-n3cc[nH+]c3)ncn2)CC1 ZINC000095408677 185356807 /nfs/dbraw/zinc/35/68/07/185356807.db2.gz JEELBRLFUJKLBI-UHFFFAOYSA-N 1 2 317.396 3.346 50 0 DGAALO c1cn(CCSc2nnc(Nc3ccccc3)s2)c[nH+]1 ZINC000095446195 185367566 /nfs/dbraw/zinc/36/75/66/185367566.db2.gz OSGPWSSAOCYQOS-UHFFFAOYSA-N 1 2 303.416 3.271 50 0 DGAALO c1ccc2c(c1)CC[C@H]2Nc1ccc(C[NH+]2CCOCC2)cn1 ZINC000097038813 185401530 /nfs/dbraw/zinc/40/15/30/185401530.db2.gz ZGIOGJVQYFOUGG-GOSISDBHSA-N 1 2 309.413 3.013 50 0 DGAALO C=Cc1cccc([C@@H]2CC(=O)NCc3[nH+]c4ccc(C)cn4c32)c1 ZINC000065417392 432011620 /nfs/dbraw/zinc/01/16/20/432011620.db2.gz ARCCJPLYQAIZSA-INIZCTEOSA-N 1 2 317.392 3.438 50 0 DGAALO Cc1cccc(C(=O)N(C)C2CCN(c3cccc[nH+]3)CC2)c1C ZINC000065594801 432012613 /nfs/dbraw/zinc/01/26/13/432012613.db2.gz AVBXMYWDCVJTMJ-UHFFFAOYSA-N 1 2 323.440 3.439 50 0 DGAALO C[C@H](CCn1cccn1)n1cc[nH+]c1-c1ccc2nsnc2c1 ZINC000071523878 190987655 /nfs/dbraw/zinc/98/76/55/190987655.db2.gz CQVKUWDNQJYFGI-GFCCVEGCSA-N 1 2 324.413 3.403 50 0 DGAALO Cc1cccn2c(CC(=O)N(C)[C@@H](C)c3cccs3)c[nH+]c12 ZINC000071770872 191029867 /nfs/dbraw/zinc/02/98/67/191029867.db2.gz VWZJDLDHXOMRAF-ZDUSSCGKSA-N 1 2 313.426 3.466 50 0 DGAALO FC1(F)Oc2cccc(C[NH+]3CC(c4ccccn4)C3)c2O1 ZINC000072145766 191052325 /nfs/dbraw/zinc/05/23/25/191052325.db2.gz XQVWQFUGHVXHKH-UHFFFAOYSA-N 1 2 304.296 3.003 50 0 DGAALO COc1ccc(-n2cc[nH+]c2-c2ccc(-n3cccn3)cc2)cn1 ZINC000072152658 191058110 /nfs/dbraw/zinc/05/81/10/191058110.db2.gz QXLYYCQMWBJXPT-UHFFFAOYSA-N 1 2 317.352 3.129 50 0 DGAALO CCc1ccc2nc(C)cc(C(=O)NCCCn3cc[nH+]c3)c2c1 ZINC000072174560 191071326 /nfs/dbraw/zinc/07/13/26/191071326.db2.gz BNSBQTBJEKHBHN-UHFFFAOYSA-N 1 2 322.412 3.122 50 0 DGAALO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCCc2ccc(F)cc2)c1 ZINC000072283583 191104102 /nfs/dbraw/zinc/10/41/02/191104102.db2.gz BUPBQBZUNVETHW-UHFFFAOYSA-N 1 2 323.371 3.292 50 0 DGAALO Cc1cccc([C@H]2CCC[N@@H+]2Cc2ncnn2-c2ccccc2)n1 ZINC000253396625 186305429 /nfs/dbraw/zinc/30/54/29/186305429.db2.gz LRDZJQDJBFQELW-GOSISDBHSA-N 1 2 319.412 3.308 50 0 DGAALO Cc1cccc([C@H]2CCC[N@H+]2Cc2ncnn2-c2ccccc2)n1 ZINC000253396625 186305433 /nfs/dbraw/zinc/30/54/33/186305433.db2.gz LRDZJQDJBFQELW-GOSISDBHSA-N 1 2 319.412 3.308 50 0 DGAALO C[C@H]1C[C@H](c2ccccc2)CN1C(=O)c1ccc2[nH+]ccn2c1 ZINC000172091764 198037363 /nfs/dbraw/zinc/03/73/63/198037363.db2.gz NRPHNJQAUZNPGF-YOEHRIQHSA-N 1 2 305.381 3.353 50 0 DGAALO C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)c1ccc2[nH+]ccn2c1 ZINC000172091758 198037641 /nfs/dbraw/zinc/03/76/41/198037641.db2.gz NRPHNJQAUZNPGF-PBHICJAKSA-N 1 2 305.381 3.353 50 0 DGAALO C[C@H](c1ccon1)[N@H+](C)Cc1cn(C)nc1-c1ccccc1F ZINC000072472992 191176304 /nfs/dbraw/zinc/17/63/04/191176304.db2.gz VUYQRNMKNYUZIY-GFCCVEGCSA-N 1 2 314.364 3.407 50 0 DGAALO C[C@H](c1ccon1)[N@@H+](C)Cc1cn(C)nc1-c1ccccc1F ZINC000072472992 191176306 /nfs/dbraw/zinc/17/63/06/191176306.db2.gz VUYQRNMKNYUZIY-GFCCVEGCSA-N 1 2 314.364 3.407 50 0 DGAALO Cc1nc(C[N@@H+]2CCC[C@H](C(=O)CCc3ccccc3)C2)co1 ZINC000072475590 191177657 /nfs/dbraw/zinc/17/76/57/191177657.db2.gz NWVWYECRTXTJET-KRWDZBQOSA-N 1 2 312.413 3.397 50 0 DGAALO Cc1nc(C[N@H+]2CCC[C@H](C(=O)CCc3ccccc3)C2)co1 ZINC000072475590 191177659 /nfs/dbraw/zinc/17/76/59/191177659.db2.gz NWVWYECRTXTJET-KRWDZBQOSA-N 1 2 312.413 3.397 50 0 DGAALO Cc1c[nH+]ccc1NC(=O)c1cnn(-c2cccc(Cl)c2)c1 ZINC000107284892 432030055 /nfs/dbraw/zinc/03/00/55/432030055.db2.gz RVWDOGQDPGAGBA-UHFFFAOYSA-N 1 2 312.760 3.481 50 0 DGAALO Cc1ccc2[nH]c(=O)c(C[N@@H+](C)[C@@H](C)c3nccs3)cc2c1 ZINC000067696584 432035176 /nfs/dbraw/zinc/03/51/76/432035176.db2.gz BNJXZHVBQYATMQ-LBPRGKRZSA-N 1 2 313.426 3.486 50 0 DGAALO Cc1ccc2[nH]c(=O)c(C[N@H+](C)[C@@H](C)c3nccs3)cc2c1 ZINC000067696584 432035178 /nfs/dbraw/zinc/03/51/78/432035178.db2.gz BNJXZHVBQYATMQ-LBPRGKRZSA-N 1 2 313.426 3.486 50 0 DGAALO COc1ccc(OC[C@H](O)C[NH2+]C(C)(C)CC(C)(C)C)cc1 ZINC000003683385 181044827 /nfs/dbraw/zinc/04/48/27/181044827.db2.gz VSNOEVFGUAROIK-CQSZACIVSA-N 1 2 309.450 3.239 50 0 DGAALO COc1cc[nH+]cc1NC(=O)C[C@@H](C)C(=O)c1cccc(F)c1 ZINC000073210424 191292283 /nfs/dbraw/zinc/29/22/83/191292283.db2.gz WHKAHVFIRLIAQG-LLVKDONJSA-N 1 2 316.332 3.077 50 0 DGAALO CCN(CC)c1[nH+]cccc1CNC(=O)[C@@H]1CCc2ccccc21 ZINC000067756821 432039307 /nfs/dbraw/zinc/03/93/07/432039307.db2.gz ZCLYUMJQTOZKIL-GOSISDBHSA-N 1 2 323.440 3.274 50 0 DGAALO Oc1cccc([C@@H]2c3[nH]c[nH+]c3CCN2CCC(F)(F)F)c1 ZINC000067803178 432040705 /nfs/dbraw/zinc/04/07/05/432040705.db2.gz QCAGBLWJCIHMFO-CQSZACIVSA-N 1 2 311.307 3.015 50 0 DGAALO Oc1cccc([C@H]2c3[nH]c[nH+]c3CCN2CCC(F)(F)F)c1 ZINC000067803179 432040414 /nfs/dbraw/zinc/04/04/14/432040414.db2.gz QCAGBLWJCIHMFO-AWEZNQCLSA-N 1 2 311.307 3.015 50 0 DGAALO CC(C)c1cc(C(=O)N(Cc2[nH+]ccn2C)C2CC2)cs1 ZINC000067847335 432043405 /nfs/dbraw/zinc/04/34/05/432043405.db2.gz ZQRFLGFJWNMWIY-UHFFFAOYSA-N 1 2 303.431 3.410 50 0 DGAALO CCOc1ccc(-c2nccn2CCn2cc[nH+]c2)cc1Cl ZINC000067847716 432043982 /nfs/dbraw/zinc/04/39/82/432043982.db2.gz LJERTEHTMQXIMR-UHFFFAOYSA-N 1 2 316.792 3.499 50 0 DGAALO CC(=O)c1ccccc1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000073733684 191349481 /nfs/dbraw/zinc/34/94/81/191349481.db2.gz LEOYWCOYLIVQJF-UHFFFAOYSA-N 1 2 319.364 3.005 50 0 DGAALO CC(=O)c1cnn(-c2cc(NC3CCCCC3)[nH+]c(C)n2)c1C ZINC000005428410 181242338 /nfs/dbraw/zinc/24/23/38/181242338.db2.gz DEZGHHDSTVTIEA-UHFFFAOYSA-N 1 2 313.405 3.226 50 0 DGAALO O=C(Nc1ccc(-c2c[nH+]c3n2CCC3)cc1)c1ccccn1 ZINC000085471595 192512475 /nfs/dbraw/zinc/51/24/75/192512475.db2.gz ZYRWJVARDCCMOB-UHFFFAOYSA-N 1 2 304.353 3.144 50 0 DGAALO O=C(N[C@@H]1CCC[C@@H](C2CC2)C1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000195532026 201399390 /nfs/dbraw/zinc/39/93/90/201399390.db2.gz FWPJKPZERMQYKF-BZUAXINKSA-N 1 2 316.449 3.268 50 0 DGAALO O=C(C[N@@H+]1CCc2ccccc2C1)Nc1ccc(Cl)cc1F ZINC000006559315 181355061 /nfs/dbraw/zinc/35/50/61/181355061.db2.gz CYHFACPDOPPGTR-UHFFFAOYSA-N 1 2 318.779 3.476 50 0 DGAALO O=C(C[N@H+]1CCc2ccccc2C1)Nc1ccc(Cl)cc1F ZINC000006559315 181355064 /nfs/dbraw/zinc/35/50/64/181355064.db2.gz CYHFACPDOPPGTR-UHFFFAOYSA-N 1 2 318.779 3.476 50 0 DGAALO CCC[C@H](CC(=O)OCCc1scnc1C)n1cc[nH+]c1 ZINC000006650641 181364847 /nfs/dbraw/zinc/36/48/47/181364847.db2.gz BNAFUFGWNLOEEY-CYBMUJFWSA-N 1 2 307.419 3.165 50 0 DGAALO CCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1 ZINC000091410090 193051673 /nfs/dbraw/zinc/05/16/73/193051673.db2.gz FSLXANKBKHAZJR-HNNXBMFYSA-N 1 2 322.412 3.404 50 0 DGAALO CC[N@H+](Cc1n[nH]c(=O)[nH]1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000091550955 193072622 /nfs/dbraw/zinc/07/26/22/193072622.db2.gz RQKAPMFKSHUPCH-VIFPVBQESA-N 1 2 314.311 3.112 50 0 DGAALO CC[N@@H+](Cc1n[nH]c(=O)[nH]1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000091550955 193072624 /nfs/dbraw/zinc/07/26/24/193072624.db2.gz RQKAPMFKSHUPCH-VIFPVBQESA-N 1 2 314.311 3.112 50 0 DGAALO Cc1cc(CNc2cc(C)[nH+]c(Nc3cccc(O)c3)n2)no1 ZINC000091645343 193083592 /nfs/dbraw/zinc/08/35/92/193083592.db2.gz GECJVNWBABVQNP-UHFFFAOYSA-N 1 2 311.345 3.143 50 0 DGAALO CC(C)=CC[C@@]1(CO)CCC[N@@H+](Cc2nnc(C(C)C)o2)C1 ZINC000091738491 193100321 /nfs/dbraw/zinc/10/03/21/193100321.db2.gz OJGPNBKQUOWCTB-KRWDZBQOSA-N 1 2 307.438 3.124 50 0 DGAALO CC(C)=CC[C@@]1(CO)CCC[N@H+](Cc2nnc(C(C)C)o2)C1 ZINC000091738491 193100323 /nfs/dbraw/zinc/10/03/23/193100323.db2.gz OJGPNBKQUOWCTB-KRWDZBQOSA-N 1 2 307.438 3.124 50 0 DGAALO O=C(c1ccc(Cl)s1)N1CCC[C@@H](Cn2cc[nH+]c2)C1 ZINC000220406876 201574103 /nfs/dbraw/zinc/57/41/03/201574103.db2.gz UHDQFCUBIZXXCG-NSHDSACASA-N 1 2 309.822 3.150 50 0 DGAALO CC1CC[NH+](Cn2nc(-c3ccccc3F)n(C)c2=S)CC1 ZINC000007074500 181437941 /nfs/dbraw/zinc/43/79/41/181437941.db2.gz QXJKGUHIRATONS-UHFFFAOYSA-N 1 2 320.437 3.447 50 0 DGAALO Cc1[nH+]c2ccccc2n1C[C@@H](O)COc1cccc(C)c1C ZINC000015860717 182022162 /nfs/dbraw/zinc/02/21/62/182022162.db2.gz YEGRACYHIAVRGB-MRXNPFEDSA-N 1 2 310.397 3.401 50 0 DGAALO Cc1[nH+]c2ccccc2n1C[C@@H](O)COc1cc(C)ccc1C ZINC000015860721 182022543 /nfs/dbraw/zinc/02/25/43/182022543.db2.gz SOWBRIAGCYZNTG-MRXNPFEDSA-N 1 2 310.397 3.401 50 0 DGAALO CSc1ccccc1C(=O)[C@@H]1CCC[N@H+](Cc2cc[nH]n2)C1 ZINC000015961792 182026394 /nfs/dbraw/zinc/02/63/94/182026394.db2.gz ASEAWSYVNYEBTQ-CYBMUJFWSA-N 1 2 315.442 3.227 50 0 DGAALO CSc1ccccc1C(=O)[C@@H]1CCC[N@@H+](Cc2cc[nH]n2)C1 ZINC000015961792 182026396 /nfs/dbraw/zinc/02/63/96/182026396.db2.gz ASEAWSYVNYEBTQ-CYBMUJFWSA-N 1 2 315.442 3.227 50 0 DGAALO CCCC(=O)Nc1ccc(Nc2nc(N(C)C)cc(C)[nH+]2)cc1 ZINC000017269551 182080828 /nfs/dbraw/zinc/08/08/28/182080828.db2.gz OTQHZWMRBAHUFZ-UHFFFAOYSA-N 1 2 313.405 3.333 50 0 DGAALO CN(C)c1cc(NC(=O)Cc2ccccc2)c2ccccc2[nH+]1 ZINC000019537479 182129279 /nfs/dbraw/zinc/12/92/79/182129279.db2.gz RKXMTSXKOVURCQ-UHFFFAOYSA-N 1 2 305.381 3.482 50 0 DGAALO Cc1cccc(/C=C2/SC(=O)N(C[NH+]3CCCCC3)C2=O)c1 ZINC000019720968 182138118 /nfs/dbraw/zinc/13/81/18/182138118.db2.gz ZOFWZHBGTQVFBD-RVDMUPIBSA-N 1 2 316.426 3.475 50 0 DGAALO Clc1ccccc1CN1CC[NH+](Cc2ccccn2)CC1 ZINC000019789082 182149487 /nfs/dbraw/zinc/14/94/87/182149487.db2.gz DWJGWSUBRAOUQR-UHFFFAOYSA-N 1 2 301.821 3.053 50 0 DGAALO Clc1ccccc1C[NH+]1CCN(Cc2ccccn2)CC1 ZINC000019789082 182149488 /nfs/dbraw/zinc/14/94/88/182149488.db2.gz DWJGWSUBRAOUQR-UHFFFAOYSA-N 1 2 301.821 3.053 50 0 DGAALO C[NH+]1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)cs2)CC1 ZINC000019892484 182162015 /nfs/dbraw/zinc/16/20/15/182162015.db2.gz JKUCXFPDDRZEGD-UHFFFAOYSA-N 1 2 320.845 3.456 50 0 DGAALO O=C(NCc1cn2ccccc2[nH+]1)c1csc2c1CCCC2 ZINC000022024411 182304159 /nfs/dbraw/zinc/30/41/59/182304159.db2.gz KBVSFTMJBVMPMD-UHFFFAOYSA-N 1 2 311.410 3.205 50 0 DGAALO Cc1ccc(C)c(C(=O)[C@H](C)Sc2nc(N)cc(C)[nH+]2)c1 ZINC000023106329 182347773 /nfs/dbraw/zinc/34/77/73/182347773.db2.gz YDRUPUZDIBJWOQ-LBPRGKRZSA-N 1 2 301.415 3.348 50 0 DGAALO CC(=O)N1CC[NH+](Cc2sc3ccccc3c2Cl)CC1 ZINC000023701853 182366410 /nfs/dbraw/zinc/36/64/10/182366410.db2.gz HVDHWMOIDOTTOK-UHFFFAOYSA-N 1 2 308.834 3.219 50 0 DGAALO COCc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000023889784 182370074 /nfs/dbraw/zinc/37/00/74/182370074.db2.gz WXMNBUURHLAETQ-UHFFFAOYSA-N 1 2 307.353 3.271 50 0 DGAALO O=C(Nc1ccc(-n2cc[nH+]c2)nc1)c1cc2ccccc2[nH]1 ZINC000025009545 182399016 /nfs/dbraw/zinc/39/90/16/182399016.db2.gz BCIVDUXXFAJFEK-UHFFFAOYSA-N 1 2 303.325 3.001 50 0 DGAALO O=C(Nc1ccc2c[nH]nc2c1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000042383579 183262353 /nfs/dbraw/zinc/26/23/53/183262353.db2.gz NBZQPVDBVIXUFM-UHFFFAOYSA-N 1 2 317.352 3.060 50 0 DGAALO O=C(Nc1cccc(OCCn2cc[nH+]c2)c1)c1ccccc1 ZINC000042706619 183299415 /nfs/dbraw/zinc/29/94/15/183299415.db2.gz HYETYHPHAFKQFR-UHFFFAOYSA-N 1 2 307.353 3.214 50 0 DGAALO C[C@H](c1nnc(-c2cccs2)o1)[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000106575277 194232472 /nfs/dbraw/zinc/23/24/72/194232472.db2.gz RKNLEHUDVVDHAD-WDEREUQCSA-N 1 2 307.419 3.358 50 0 DGAALO C[C@H](c1nnc(-c2cccs2)o1)[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000106575277 194232474 /nfs/dbraw/zinc/23/24/74/194232474.db2.gz 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Cc1oc(-c2ccsc2)nc1C[N@H+]1CCCC2(C1)OCCO2 ZINC000084056844 545783126 /nfs/dbraw/zinc/78/31/26/545783126.db2.gz UACXEAGMVOQWAR-UHFFFAOYSA-N 1 2 320.414 3.050 50 0 DGAALO NC(=O)[C@H]([NH2+]Cc1ccc(-c2ccccc2F)o1)c1ccccc1 ZINC000084519335 545790548 /nfs/dbraw/zinc/79/05/48/545790548.db2.gz KYSRQHQWLJWGHR-GOSISDBHSA-N 1 2 324.355 3.402 50 0 DGAALO COc1ccc(F)c(F)c1C[N@@H+](Cc1cnn(C)c1)CC(C)C ZINC000215540758 546262121 /nfs/dbraw/zinc/26/21/21/546262121.db2.gz OFWCGVRESVSUIS-UHFFFAOYSA-N 1 2 323.387 3.365 50 0 DGAALO COc1ccc(F)c(F)c1C[N@H+](Cc1cnn(C)c1)CC(C)C ZINC000215540758 546262125 /nfs/dbraw/zinc/26/21/25/546262125.db2.gz OFWCGVRESVSUIS-UHFFFAOYSA-N 1 2 323.387 3.365 50 0 DGAALO CCn1c[nH+]cc1CNC(=O)Nc1c(C)cc(Cl)cc1C ZINC000299763224 546434322 /nfs/dbraw/zinc/43/43/22/546434322.db2.gz PONBJQVWJKSMBU-UHFFFAOYSA-N 1 2 306.797 3.495 50 0 DGAALO O=C(NCc1c[nH+]cn1C1CC1)c1scc2c1CCCC2 ZINC000670444721 547754902 /nfs/dbraw/zinc/75/49/02/547754902.db2.gz LRMOBXRSGBBIKM-UHFFFAOYSA-N 1 2 301.415 3.088 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C[C@@H]1C[N@H+](Cc2c(Cl)cncc2Cl)CC[C@@]1(O)C1CC1 ZINC000091586815 193075329 /nfs/dbraw/zinc/07/53/29/193075329.db2.gz WWVSATVZHVOKQT-BMIGLBTASA-N 1 2 315.244 3.371 50 0 DGAALO C[C@@H]1C[N@@H+](Cc2c(Cl)cncc2Cl)CC[C@@]1(O)C1CC1 ZINC000091586815 193075331 /nfs/dbraw/zinc/07/53/31/193075331.db2.gz WWVSATVZHVOKQT-BMIGLBTASA-N 1 2 315.244 3.371 50 0 DGAALO CCCCc1[nH]c(C[N@@H+]2CCC[C@@](CC3CC3)(C(=O)[O-])C2)c[nH+]1 ZINC000091974089 193135212 /nfs/dbraw/zinc/13/52/12/193135212.db2.gz KHMHHEXAIMAAHS-SFHVURJKSA-N 1 2 319.449 3.219 50 0 DGAALO CCCCc1[nH]c(C[N@H+]2CCC[C@@](CC3CC3)(C(=O)[O-])C2)c[nH+]1 ZINC000091974089 193135213 /nfs/dbraw/zinc/13/52/13/193135213.db2.gz KHMHHEXAIMAAHS-SFHVURJKSA-N 1 2 319.449 3.219 50 0 DGAALO CC(C)(CN1CCCC[C@@H]1c1nccs1)C[NH+]1CCOCC1 ZINC000215106952 201451577 /nfs/dbraw/zinc/45/15/77/201451577.db2.gz FRYGXTKLNJJESZ-OAHLLOKOSA-N 1 2 323.506 3.029 50 0 DGAALO CC[C@@H](NC(=O)N[C@@H](C)Cn1cc[nH+]c1)c1cc(F)ccc1F ZINC000096419871 193631336 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CCC[C@@H]1C[N@H+](Cc2c[nH+]c(CC3CCCC3)[nH]2)C[C@H]1C(=O)[O-] ZINC000091876864 193122398 /nfs/dbraw/zinc/12/23/98/193122398.db2.gz UOZRQBUUHOZDHO-GDBMZVCRSA-N 1 2 319.449 3.075 50 0 DGAALO CCC[C@@H]1C[N@@H+](Cc2c[nH+]c(CC3CCCC3)[nH]2)C[C@H]1C(=O)[O-] ZINC000091876864 193122400 /nfs/dbraw/zinc/12/24/00/193122400.db2.gz UOZRQBUUHOZDHO-GDBMZVCRSA-N 1 2 319.449 3.075 50 0 DGAALO Clc1cnn(CC[NH+](Cc2ccco2)Cc2ccco2)c1 ZINC000459279263 243313514 /nfs/dbraw/zinc/31/35/14/243313514.db2.gz LOSSSTNBCPKMQI-UHFFFAOYSA-N 1 2 305.765 3.425 50 0 DGAALO Cc1cn2c(C[N@@H+]3CCO[C@H](c4ccco4)C3)c(C)nc2s1 ZINC000093841734 193315440 /nfs/dbraw/zinc/31/54/40/193315440.db2.gz BXDHSWZACOMCLB-HNNXBMFYSA-N 1 2 317.414 3.179 50 0 DGAALO Cc1cn2c(C[N@H+]3CCO[C@H](c4ccco4)C3)c(C)nc2s1 ZINC000093841734 193315442 /nfs/dbraw/zinc/31/54/42/193315442.db2.gz BXDHSWZACOMCLB-HNNXBMFYSA-N 1 2 317.414 3.179 50 0 DGAALO CCCn1nc(C)c(C[N@@H+]2CCO[C@H](c3ccc(C)o3)C2)c1C ZINC000093864611 193321022 /nfs/dbraw/zinc/32/10/22/193321022.db2.gz BAMRGYCCMRMEKU-SFHVURJKSA-N 1 2 317.433 3.385 50 0 DGAALO CCCn1nc(C)c(C[N@H+]2CCO[C@H](c3ccc(C)o3)C2)c1C ZINC000093864611 193321024 /nfs/dbraw/zinc/32/10/24/193321024.db2.gz BAMRGYCCMRMEKU-SFHVURJKSA-N 1 2 317.433 3.385 50 0 DGAALO C[N@H+](Cc1ccn(-c2c(F)cccc2F)n1)Cc1cccnc1 ZINC000095981759 193474571 /nfs/dbraw/zinc/47/45/71/193474571.db2.gz VCYWKVAYVCVKEW-UHFFFAOYSA-N 1 2 314.339 3.178 50 0 DGAALO C[N@@H+](Cc1ccn(-c2c(F)cccc2F)n1)Cc1cccnc1 ZINC000095981759 193474572 /nfs/dbraw/zinc/47/45/72/193474572.db2.gz VCYWKVAYVCVKEW-UHFFFAOYSA-N 1 2 314.339 3.178 50 0 DGAALO COc1cc[nH+]cc1NC(=O)[C@@H](C)CCOc1ccccc1 ZINC000096443665 193648367 /nfs/dbraw/zinc/64/83/67/193648367.db2.gz JVYMBKQAWVYAFV-ZDUSSCGKSA-N 1 2 300.358 3.134 50 0 DGAALO CSc1ccc(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)cc1 ZINC000015880141 182023550 /nfs/dbraw/zinc/02/35/50/182023550.db2.gz AMROGEWIXZGPPK-UHFFFAOYSA-N 1 2 319.455 3.105 50 0 DGAALO CSc1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)cc1 ZINC000015880141 182023552 /nfs/dbraw/zinc/02/35/52/182023552.db2.gz AMROGEWIXZGPPK-UHFFFAOYSA-N 1 2 319.455 3.105 50 0 DGAALO C[C@H]1C(=O)[C@@H](C)[C@H](c2ccc(O)cc2)[NH2+][C@H]1c1ccc(O)cc1 ZINC000015919732 182024839 /nfs/dbraw/zinc/02/48/39/182024839.db2.gz NFDDAJSPVPMMDU-FVEFGIFQSA-N 1 2 311.381 3.325 50 0 DGAALO CCc1c(C)scc1C(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000016604569 182052720 /nfs/dbraw/zinc/05/27/20/182052720.db2.gz DOAKURXURYGXTR-UHFFFAOYSA-N 1 2 318.442 3.170 50 0 DGAALO Clc1ccccc1CN1CC[NH+](Cc2cccnc2)CC1 ZINC000019369887 182119923 /nfs/dbraw/zinc/11/99/23/182119923.db2.gz QAHOLULZCCIZPG-UHFFFAOYSA-N 1 2 301.821 3.053 50 0 DGAALO Clc1ccccc1C[NH+]1CCN(Cc2cccnc2)CC1 ZINC000019369887 182119925 /nfs/dbraw/zinc/11/99/25/182119925.db2.gz QAHOLULZCCIZPG-UHFFFAOYSA-N 1 2 301.821 3.053 50 0 DGAALO C[C@H](NC(=O)c1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000019418391 182122290 /nfs/dbraw/zinc/12/22/90/182122290.db2.gz FCRAJWCUNXOTQO-INIZCTEOSA-N 1 2 324.424 3.010 50 0 DGAALO CCc1ccc(C2N3CC4(CC)C[NH+]2CC(CC)(C3)C4=O)cc1 ZINC000019323336 182115148 /nfs/dbraw/zinc/11/51/48/182115148.db2.gz FFNRSVFIFPGHQX-UHFFFAOYSA-N 1 2 312.457 3.254 50 0 biogenic DGAALO Cc1c([C@H](C)[NH2+]Cc2ccon2)cnn1-c1ccc(F)cc1F ZINC000019535794 182129270 /nfs/dbraw/zinc/12/92/70/182129270.db2.gz QDRXQBWHMBMHSU-JTQLQIEISA-N 1 2 318.327 3.298 50 0 DGAALO Cc1ccc(C)c(NC(=O)c2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000019761674 182144010 /nfs/dbraw/zinc/14/40/10/182144010.db2.gz OBFYWYWFFPSHMF-UHFFFAOYSA-N 1 2 324.424 3.388 50 0 DGAALO Cc1ccccc1NC(=O)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000019762686 182144512 /nfs/dbraw/zinc/14/45/12/182144512.db2.gz QPYXMOHQNSNYFI-UHFFFAOYSA-N 1 2 310.397 3.080 50 0 DGAALO CCOC(=O)C1=C(N)C[C@H](c2ccccc2)[NH2+][C@H]1c1ccccc1 ZINC000020494385 182224357 /nfs/dbraw/zinc/22/43/57/182224357.db2.gz QHPMSQMNAPOMBZ-MJGOQNOKSA-N 1 2 322.408 3.238 50 0 DGAALO COc1ccc(C[N@@H+]2CCO[C@H](Cc3ccccc3)C2)c(F)c1 ZINC000020534909 182227759 /nfs/dbraw/zinc/22/77/59/182227759.db2.gz 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/nfs/dbraw/zinc/03/01/27/183030127.db2.gz MUYWNRZNRXZVEX-CQSZACIVSA-N 1 2 300.406 3.423 50 0 DGAALO O=C(Nc1ccc(-n2cc[nH+]c2)nc1)[C@@H]1CCCc2ccccc21 ZINC000040069877 183030711 /nfs/dbraw/zinc/03/07/11/183030711.db2.gz QFWVUEVIDMCHJU-QGZVFWFLSA-N 1 2 318.380 3.326 50 0 DGAALO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cccc(Oc2ccccc2)c1 ZINC000040092402 183033470 /nfs/dbraw/zinc/03/34/70/183033470.db2.gz HWYWNVRXGRAXLZ-OAHLLOKOSA-N 1 2 321.380 3.494 50 0 DGAALO Cc1noc(C[N@H+](Cc2ccc3c(c2)OCO3)C2CCCC2)n1 ZINC000040489655 183078967 /nfs/dbraw/zinc/07/89/67/183078967.db2.gz DZOMTKBICBOYIM-UHFFFAOYSA-N 1 2 315.373 3.052 50 0 DGAALO Cc1noc(C[N@@H+](Cc2ccc3c(c2)OCO3)C2CCCC2)n1 ZINC000040489655 183078969 /nfs/dbraw/zinc/07/89/69/183078969.db2.gz DZOMTKBICBOYIM-UHFFFAOYSA-N 1 2 315.373 3.052 50 0 DGAALO Cc1ccccc1-c1noc(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)n1 ZINC000040555459 183101778 /nfs/dbraw/zinc/10/17/78/183101778.db2.gz WVROLLIIZXGDJS-HOTGVXAUSA-N 1 2 313.401 3.188 50 0 DGAALO Cc1ccccc1-c1noc(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)n1 ZINC000040555459 183101780 /nfs/dbraw/zinc/10/17/80/183101780.db2.gz WVROLLIIZXGDJS-HOTGVXAUSA-N 1 2 313.401 3.188 50 0 DGAALO c1coc(CNc2nc(NC[C@H]3CCCO3)c3ccccc3[nH+]2)c1 ZINC000041152016 183178719 /nfs/dbraw/zinc/17/87/19/183178719.db2.gz QPHKSNGDGIUOKO-CYBMUJFWSA-N 1 2 324.384 3.426 50 0 DGAALO C[C@@H](Cn1cc[nH+]c1)NC(=O)C1(c2cccc(Cl)c2)CCC1 ZINC000042535082 183282054 /nfs/dbraw/zinc/28/20/54/183282054.db2.gz FYLXFGAFEFXFRF-ZDUSSCGKSA-N 1 2 317.820 3.163 50 0 DGAALO COc1cc(Cl)c(C)cc1NC(=O)NCCCn1cc[nH+]c1 ZINC000043349584 183356782 /nfs/dbraw/zinc/35/67/82/183356782.db2.gz UWZQIEPRLKZCRX-UHFFFAOYSA-N 1 2 322.796 3.065 50 0 DGAALO CN1CC[N@H+](Cc2sc3ccccc3c2Cl)C[C@H]1CCO ZINC000104474956 194009815 /nfs/dbraw/zinc/00/98/15/194009815.db2.gz MFAORMIIUVPMEL-GFCCVEGCSA-N 1 2 324.877 3.053 50 0 DGAALO CN1CC[N@@H+](Cc2sc3ccccc3c2Cl)C[C@H]1CCO ZINC000104474956 194009817 /nfs/dbraw/zinc/00/98/17/194009817.db2.gz MFAORMIIUVPMEL-GFCCVEGCSA-N 1 2 324.877 3.053 50 0 DGAALO COc1ccc(Cc2noc([C@@H](c3ccccc3)[NH+](C)C)n2)cc1 ZINC000284922171 218234921 /nfs/dbraw/zinc/23/49/21/218234921.db2.gz BTDANGCVHDWGKC-GOSISDBHSA-N 1 2 323.396 3.320 50 0 DGAALO Cc1nc(C[N@@H+]2CCCN(C(=O)C3CCCCC3)CC2)cs1 ZINC000105819068 194135444 /nfs/dbraw/zinc/13/54/44/194135444.db2.gz VTWRXDNYKLDWPI-UHFFFAOYSA-N 1 2 321.490 3.066 50 0 DGAALO Cc1nc(C[N@H+]2CCCN(C(=O)C3CCCCC3)CC2)cs1 ZINC000105819068 194135446 /nfs/dbraw/zinc/13/54/46/194135446.db2.gz VTWRXDNYKLDWPI-UHFFFAOYSA-N 1 2 321.490 3.066 50 0 DGAALO C[N@H+](C/C=C\c1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000056696082 184017977 /nfs/dbraw/zinc/01/79/77/184017977.db2.gz RVGBBXFZXMHEQK-YFHOEESVSA-N 1 2 305.381 3.068 50 0 DGAALO C[N@@H+](C/C=C\c1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000056696082 184017979 /nfs/dbraw/zinc/01/79/79/184017979.db2.gz RVGBBXFZXMHEQK-YFHOEESVSA-N 1 2 305.381 3.068 50 0 DGAALO C[C@H]1c2ccsc2CCN1C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000058049736 184071120 /nfs/dbraw/zinc/07/11/20/184071120.db2.gz KAVWVFVBUFIRLK-LBPRGKRZSA-N 1 2 324.409 3.088 50 0 DGAALO Cn1cc[nH+]c1CN(C(=O)c1scc2c1CCCC2)C1CC1 ZINC000065409963 184340016 /nfs/dbraw/zinc/34/00/16/184340016.db2.gz ZPBVDSKYWQSEMU-UHFFFAOYSA-N 1 2 315.442 3.165 50 0 DGAALO c1cn(Cc2ccc(-n3ccc(-c4cccnc4)n3)cc2)c[nH+]1 ZINC000065434219 184344610 /nfs/dbraw/zinc/34/46/10/184344610.db2.gz UOYUSVBXEHFNCY-UHFFFAOYSA-N 1 2 301.353 3.179 50 0 DGAALO Cc1noc(C)c1C[N@@H+]1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000120266503 195131493 /nfs/dbraw/zinc/13/14/93/195131493.db2.gz JVLKGINDZVIYAW-INIZCTEOSA-N 1 2 323.400 3.414 50 0 DGAALO Cc1noc(C)c1C[N@H+]1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000120266503 195131496 /nfs/dbraw/zinc/13/14/96/195131496.db2.gz JVLKGINDZVIYAW-INIZCTEOSA-N 1 2 323.400 3.414 50 0 DGAALO CCC[C@@]1(CO)CC[N@H+](Cc2noc(-c3ccccc3C)n2)C1 ZINC000344241212 254243843 /nfs/dbraw/zinc/24/38/43/254243843.db2.gz WNUROJNJJYMBJB-GOSISDBHSA-N 1 2 315.417 3.030 50 0 DGAALO CCC[C@@]1(CO)CC[N@@H+](Cc2noc(-c3ccccc3C)n2)C1 ZINC000344241212 254243844 /nfs/dbraw/zinc/24/38/44/254243844.db2.gz WNUROJNJJYMBJB-GOSISDBHSA-N 1 2 315.417 3.030 50 0 DGAALO CN(C[C@H]1CCCO1)C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000071903053 184896538 /nfs/dbraw/zinc/89/65/38/184896538.db2.gz URNHNQYVZRGRDC-QGZVFWFLSA-N 1 2 312.369 3.125 50 0 DGAALO COCc1noc(C[NH2+][C@@H](C)c2cc3cc(Cl)ccc3o2)n1 ZINC000097374518 400286011 /nfs/dbraw/zinc/28/60/11/400286011.db2.gz YEGIFKKRXWSZSZ-VIFPVBQESA-N 1 2 321.764 3.466 50 0 DGAALO c1nnc([C@@H]2CCCC[N@H+]2Cc2ccncc2)n1-c1ccccc1 ZINC000097941597 400288083 /nfs/dbraw/zinc/28/80/83/400288083.db2.gz MAZJYFFUSVPZHQ-SFHVURJKSA-N 1 2 319.412 3.390 50 0 DGAALO c1nnc([C@@H]2CCCC[N@@H+]2Cc2ccncc2)n1-c1ccccc1 ZINC000097941597 400288090 /nfs/dbraw/zinc/28/80/90/400288090.db2.gz MAZJYFFUSVPZHQ-SFHVURJKSA-N 1 2 319.412 3.390 50 0 DGAALO Cc1cc(N2CCC(COc3ccccn3)CC2)nc(C2CC2)[nH+]1 ZINC000072313952 400381459 /nfs/dbraw/zinc/38/14/59/400381459.db2.gz MJYPMTWEIQVBMM-UHFFFAOYSA-N 1 2 324.428 3.353 50 0 DGAALO 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0 biogenic DGAALO CCC12CN3CC(C)(C[N@@H+](C1)C3c1c(C)[nH]c3ccccc31)C2=O ZINC000096463823 431952163 /nfs/dbraw/zinc/95/21/63/431952163.db2.gz HVHDYYQVEQYZRT-UHFFFAOYSA-N 1 2 323.440 3.092 50 0 biogenic DGAALO COc1ccc(C[N@H+](Cc2nnc(C)o2)C(C)(C)C)c(OC)c1 ZINC000096474636 431952545 /nfs/dbraw/zinc/95/25/45/431952545.db2.gz VNFNDDJTGCLXRQ-UHFFFAOYSA-N 1 2 319.405 3.196 50 0 DGAALO COc1ccc(C[N@@H+](Cc2nnc(C)o2)C(C)(C)C)c(OC)c1 ZINC000096474636 431952547 /nfs/dbraw/zinc/95/25/47/431952547.db2.gz VNFNDDJTGCLXRQ-UHFFFAOYSA-N 1 2 319.405 3.196 50 0 DGAALO COc1ccc(C(C)=O)cc1C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000051996227 431953730 /nfs/dbraw/zinc/95/37/30/431953730.db2.gz KKNSJRABVKCQCR-FUHWJXTLSA-N 1 2 303.402 3.041 50 0 DGAALO COc1ccc(C(C)=O)cc1C[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000051996227 431953731 /nfs/dbraw/zinc/95/37/31/431953731.db2.gz KKNSJRABVKCQCR-FUHWJXTLSA-N 1 2 303.402 3.041 50 0 DGAALO CCC[C@@H]1c2ccccc2CCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000097021775 431956229 /nfs/dbraw/zinc/95/62/29/431956229.db2.gz PSYHHGUCRPXBRT-FUHWJXTLSA-N 1 2 323.440 3.372 50 0 DGAALO Fc1ccc(NCc2c[nH+]c3ccc(Br)cn23)nc1 ZINC000097045342 431957966 /nfs/dbraw/zinc/95/79/66/431957966.db2.gz FPOBRXAOLQDHCE-UHFFFAOYSA-N 1 2 321.153 3.243 50 0 DGAALO c1cc(NCc2cncnc2)[nH+]c(-c2ccc3c(c2)CCO3)c1 ZINC000097094824 431960970 /nfs/dbraw/zinc/96/09/70/431960970.db2.gz DDRICYXKFFWHBG-UHFFFAOYSA-N 1 2 304.353 3.086 50 0 DGAALO Cc1ccc([C@H](C)[N@H+](C)Cc2nc3ccccc3c(=O)[nH]2)s1 ZINC000053212946 431962157 /nfs/dbraw/zinc/96/21/57/431962157.db2.gz BAMJMSJAEZBDJX-LBPRGKRZSA-N 1 2 313.426 3.486 50 0 DGAALO Cc1ccc([C@H](C)[N@@H+](C)Cc2nc3ccccc3c(=O)[nH]2)s1 ZINC000053212946 431962159 /nfs/dbraw/zinc/96/21/59/431962159.db2.gz BAMJMSJAEZBDJX-LBPRGKRZSA-N 1 2 313.426 3.486 50 0 DGAALO Cc1ccc(NC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)cc1C ZINC000127055165 431963573 /nfs/dbraw/zinc/96/35/73/431963573.db2.gz MDQALCDBXOUYOB-KRWDZBQOSA-N 1 2 311.385 3.384 50 0 DGAALO CCOC(=O)N1CC[NH+]([C@@H](C)c2cnc3ccsc3c2)CC1 ZINC000097165318 431964557 /nfs/dbraw/zinc/96/45/57/431964557.db2.gz WOUMOGUWHZXVMM-LBPRGKRZSA-N 1 2 319.430 3.131 50 0 DGAALO O=C(c1ccc2[nH+]ccn2c1)N1CCCCC[C@H]1c1ccncc1 ZINC000097212287 431965153 /nfs/dbraw/zinc/96/51/53/431965153.db2.gz SCWZTPBUBGRXEB-KRWDZBQOSA-N 1 2 320.396 3.487 50 0 DGAALO Cc1cc(NC(=O)[C@@H]([NH2+]Cc2ccco2)c2ccccc2)no1 ZINC000097495043 431970283 /nfs/dbraw/zinc/97/02/83/431970283.db2.gz IVYQLFCVXZAJNX-INIZCTEOSA-N 1 2 311.341 3.046 50 0 DGAALO Fc1ccc(C[NH+]2CCN(c3ccccc3F)CC2)c(F)c1 ZINC000055543507 431983578 /nfs/dbraw/zinc/98/35/78/431983578.db2.gz FQWNVXTUUGCCAN-UHFFFAOYSA-N 1 2 306.331 3.426 50 0 DGAALO CCc1nnc(C[N@@H+]2CCC[C@H](c3cc(F)ccc3F)C2)o1 ZINC000191679966 432290211 /nfs/dbraw/zinc/29/02/11/432290211.db2.gz YJDJDEZGRINZIE-NSHDSACASA-N 1 2 307.344 3.290 50 0 DGAALO CCc1nnc(C[N@H+]2CCC[C@H](c3cc(F)ccc3F)C2)o1 ZINC000191679966 432290216 /nfs/dbraw/zinc/29/02/16/432290216.db2.gz YJDJDEZGRINZIE-NSHDSACASA-N 1 2 307.344 3.290 50 0 DGAALO Cc1[nH+]c2ccc(F)cc2n1C1CCN(C(=O)CC2CC2)CC1 ZINC000034915405 282061747 /nfs/dbraw/zinc/06/17/47/282061747.db2.gz HPMNHVFIRMQFLS-UHFFFAOYSA-N 1 2 315.392 3.447 50 0 DGAALO CCCOc1ccccc1C(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000219552798 432664409 /nfs/dbraw/zinc/66/44/09/432664409.db2.gz ASKWEPRSNDEQSQ-INIZCTEOSA-N 1 2 313.401 3.090 50 0 DGAALO O=C(/C=C/c1ccccc1)N1CCCC[C@H]1CCn1cc[nH+]c1 ZINC000219905878 432665945 /nfs/dbraw/zinc/66/59/45/432665945.db2.gz QKDXETROPWKXTO-BBVFFXRHSA-N 1 2 309.413 3.368 50 0 DGAALO O=C(c1ccc(Cl)s1)N1CCC[C@H](Cn2cc[nH+]c2)C1 ZINC000220406939 432666538 /nfs/dbraw/zinc/66/65/38/432666538.db2.gz UHDQFCUBIZXXCG-LLVKDONJSA-N 1 2 309.822 3.150 50 0 DGAALO COCc1ccc([C@H]2CCC[N@@H+]2Cc2ncc([C@H](C)O)s2)o1 ZINC000225515236 432692527 /nfs/dbraw/zinc/69/25/27/432692527.db2.gz YFAWKOGTJIMUNU-WCQYABFASA-N 1 2 322.430 3.273 50 0 DGAALO COCc1ccc([C@H]2CCC[N@H+]2Cc2ncc([C@H](C)O)s2)o1 ZINC000225515236 432692531 /nfs/dbraw/zinc/69/25/31/432692531.db2.gz YFAWKOGTJIMUNU-WCQYABFASA-N 1 2 322.430 3.273 50 0 DGAALO Cc1ccc(CCC(=O)N[C@H](c2[nH+]ccn2C)C2CC2)cc1C ZINC000223742902 432678532 /nfs/dbraw/zinc/67/85/32/432678532.db2.gz OPCUBMQSSMKRPV-SFHVURJKSA-N 1 2 311.429 3.237 50 0 DGAALO CC(C)(C)n1ncnc1C[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000242302111 432817880 /nfs/dbraw/zinc/81/78/80/432817880.db2.gz YPOWLQXXMVBILY-INIZCTEOSA-N 1 2 313.449 3.110 50 0 DGAALO CC(C)(C)n1ncnc1C[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000242302111 432817885 /nfs/dbraw/zinc/81/78/85/432817885.db2.gz YPOWLQXXMVBILY-INIZCTEOSA-N 1 2 313.449 3.110 50 0 DGAALO Cc1c[nH]c(CN(C)Cc2nc(C)cc(-c3ccccc3)n2)[nH+]1 ZINC000244724601 432822327 /nfs/dbraw/zinc/82/23/27/432822327.db2.gz MXBXQLVWMREQJR-UHFFFAOYSA-N 1 2 307.401 3.116 50 0 DGAALO COc1cccc([C@@H]2CC[N@@H+]2Cc2nc(-c3ccco3)no2)c1 ZINC000244724579 432822470 /nfs/dbraw/zinc/82/24/70/432822470.db2.gz MWRWFICWZXJOKF-AWEZNQCLSA-N 1 2 311.341 3.285 50 0 DGAALO COc1cccc([C@@H]2CC[N@H+]2Cc2nc(-c3ccco3)no2)c1 ZINC000244724579 432822473 /nfs/dbraw/zinc/82/24/73/432822473.db2.gz MWRWFICWZXJOKF-AWEZNQCLSA-N 1 2 311.341 3.285 50 0 DGAALO c1c(C[N@@H+]2CCOc3ccccc3C2)onc1-c1cccnc1 ZINC000244708036 432822655 /nfs/dbraw/zinc/82/26/55/432822655.db2.gz KMIXQXOPNFIEMV-UHFFFAOYSA-N 1 2 307.353 3.131 50 0 DGAALO c1c(C[N@H+]2CCOc3ccccc3C2)onc1-c1cccnc1 ZINC000244708036 432822659 /nfs/dbraw/zinc/82/26/59/432822659.db2.gz KMIXQXOPNFIEMV-UHFFFAOYSA-N 1 2 307.353 3.131 50 0 DGAALO COc1cccc([C@@H]2CC[N@@H+]2Cc2nnc(-c3cccnc3)o2)c1 ZINC000244817218 432823701 /nfs/dbraw/zinc/82/37/01/432823701.db2.gz SWJLHWRHRQWSSF-INIZCTEOSA-N 1 2 322.368 3.087 50 0 DGAALO COc1cccc([C@@H]2CC[N@H+]2Cc2nnc(-c3cccnc3)o2)c1 ZINC000244817218 432823703 /nfs/dbraw/zinc/82/37/03/432823703.db2.gz SWJLHWRHRQWSSF-INIZCTEOSA-N 1 2 322.368 3.087 50 0 DGAALO O=C(C[N@@H+]1CCCC[C@H]1c1ccccn1)NCC1CCCCC1 ZINC000244795340 432823938 /nfs/dbraw/zinc/82/39/38/432823938.db2.gz REMQVRXJSUWYNY-SFHVURJKSA-N 1 2 315.461 3.305 50 0 DGAALO O=C(C[N@H+]1CCCC[C@H]1c1ccccn1)NCC1CCCCC1 ZINC000244795340 432823940 /nfs/dbraw/zinc/82/39/40/432823940.db2.gz REMQVRXJSUWYNY-SFHVURJKSA-N 1 2 315.461 3.305 50 0 DGAALO Oc1ccc(C[N@H+](Cc2noc(-c3ccco3)n2)C2CC2)cc1 ZINC000244795184 432824231 /nfs/dbraw/zinc/82/42/31/432824231.db2.gz RBDJAMVZSHMMBQ-UHFFFAOYSA-N 1 2 311.341 3.200 50 0 DGAALO Oc1ccc(C[N@@H+](Cc2noc(-c3ccco3)n2)C2CC2)cc1 ZINC000244795184 432824234 /nfs/dbraw/zinc/82/42/34/432824234.db2.gz RBDJAMVZSHMMBQ-UHFFFAOYSA-N 1 2 311.341 3.200 50 0 DGAALO CCCSc1ccc(NC(=O)NCCc2c[nH+]c[nH]2)cc1 ZINC000299777392 433382513 /nfs/dbraw/zinc/38/25/13/433382513.db2.gz ODKAVXRBPJNUCZ-UHFFFAOYSA-N 1 2 304.419 3.276 50 0 DGAALO CCCSc1ccc(NC(=O)NCCc2c[nH]c[nH+]2)cc1 ZINC000299777392 433382519 /nfs/dbraw/zinc/38/25/19/433382519.db2.gz ODKAVXRBPJNUCZ-UHFFFAOYSA-N 1 2 304.419 3.276 50 0 DGAALO CSCc1ccc(C(=O)N[C@@H](c2[nH+]ccn2C)C(C)C)o1 ZINC000299802792 433390387 /nfs/dbraw/zinc/39/03/87/433390387.db2.gz PWPKIQPQJJOJPC-CYBMUJFWSA-N 1 2 307.419 3.003 50 0 DGAALO CCC[C@H](NC(=O)N(C)Cc1[nH]cc(C)[nH+]1)c1ccccc1 ZINC000426490993 433511050 /nfs/dbraw/zinc/51/10/50/433511050.db2.gz AQBIEAWRWOIAHB-HNNXBMFYSA-N 1 2 300.406 3.401 50 0 DGAALO Cc1[nH+]c[nH]c1CNC(=O)[C@]1(c2ccccc2)CC12CCCC2 ZINC000426495632 433516536 /nfs/dbraw/zinc/51/65/36/433516536.db2.gz OEAMVYSEQLULHV-LJQANCHMSA-N 1 2 309.413 3.236 50 0 DGAALO CCCN(Cc1[nH+]ccn1C)C(=O)N[C@@H](C)Cc1ccsc1 ZINC000426529187 433521158 /nfs/dbraw/zinc/52/11/58/433521158.db2.gz BCTAILVLYQGHCN-ZDUSSCGKSA-N 1 2 320.462 3.034 50 0 DGAALO CCc1cc(Cl)ccc1NC(=O)NCCCc1[nH]cc[nH+]1 ZINC000426689019 433558780 /nfs/dbraw/zinc/55/87/80/433558780.db2.gz AZMMMKPKEIPURJ-UHFFFAOYSA-N 1 2 306.797 3.380 50 0 DGAALO c1ccc(-c2ccc([C@@H]3NN=C4[C@@H]3[NH+]3CCC4CC3)cc2)cc1 ZINC000020421346 304853553 /nfs/dbraw/zinc/85/35/53/304853553.db2.gz CUZHDJQEYPOZRS-AZUAARDMSA-N 1 2 303.409 3.448 50 0 DGAALO Cc1ncc([C@@H](C)[NH2+][C@@H](C)c2cn(-c3ccccc3)nn2)c(C)n1 ZINC000090449923 323210109 /nfs/dbraw/zinc/21/01/09/323210109.db2.gz OZYFYKGFYWFBJI-OCCSQVGLSA-N 1 2 322.416 3.086 50 0 DGAALO Cc1cncc(CNc2cc(NCc3cncc(C)c3)[nH+]cn2)c1 ZINC000097096757 323210126 /nfs/dbraw/zinc/21/01/26/323210126.db2.gz IKSPFYHTZMCTGE-UHFFFAOYSA-N 1 2 320.400 3.108 50 0 DGAALO Cc1ncc([C@H](C)[NH2+][C@@H](C)c2cn(-c3ccccc3)nn2)c(C)n1 ZINC000090449924 323210133 /nfs/dbraw/zinc/21/01/33/323210133.db2.gz OZYFYKGFYWFBJI-JSGCOSHPSA-N 1 2 322.416 3.086 50 0 DGAALO Cc1[nH+]c2ccccc2n1CCc1noc(-c2cccnc2)n1 ZINC000016838175 331570697 /nfs/dbraw/zinc/57/06/97/331570697.db2.gz LIFKKAQMSHEPLD-UHFFFAOYSA-N 1 2 305.341 3.032 50 0 DGAALO CC(C)[C@@H](NC(=O)CCCc1cccs1)c1[nH+]ccn1C ZINC000534592102 334294729 /nfs/dbraw/zinc/29/47/29/334294729.db2.gz HYQGKTVDHMFAGY-OAHLLOKOSA-N 1 2 305.447 3.318 50 0 DGAALO O=C(NC1CCC(F)(F)CC1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000342475095 534793136 /nfs/dbraw/zinc/79/31/36/534793136.db2.gz MKRNCZDPKUXHSS-UHFFFAOYSA-N 1 2 319.355 3.239 50 0 DGAALO CC(C)c1nnc(C[N@@H+]2CCC[C@H](COc3ccccc3)C2)[nH]1 ZINC000328596423 528247223 /nfs/dbraw/zinc/24/72/23/528247223.db2.gz OZHZBGFXGUPZRW-HNNXBMFYSA-N 1 2 314.433 3.219 50 0 DGAALO CC(C)c1nnc(C[N@H+]2CCC[C@H](COc3ccccc3)C2)[nH]1 ZINC000328596423 528247231 /nfs/dbraw/zinc/24/72/31/528247231.db2.gz OZHZBGFXGUPZRW-HNNXBMFYSA-N 1 2 314.433 3.219 50 0 DGAALO Cc1nc(C[N@H+]2Cc3ccccc3[C@H](n3cccn3)C2)cs1 ZINC000076731826 545737547 /nfs/dbraw/zinc/73/75/47/545737547.db2.gz CYFNILGRURRNQQ-QGZVFWFLSA-N 1 2 310.426 3.253 50 0 DGAALO Cc1nc(C[N@@H+]2Cc3ccccc3[C@H](n3cccn3)C2)cs1 ZINC000076731826 545737552 /nfs/dbraw/zinc/73/75/52/545737552.db2.gz CYFNILGRURRNQQ-QGZVFWFLSA-N 1 2 310.426 3.253 50 0 DGAALO O[C@H](C[N@H+](Cc1cscn1)Cc1ccccc1)c1ccco1 ZINC000084496807 545790283 /nfs/dbraw/zinc/79/02/83/545790283.db2.gz JQHPYYQMDKMVOM-MRXNPFEDSA-N 1 2 314.410 3.472 50 0 DGAALO O[C@H](C[N@@H+](Cc1cscn1)Cc1ccccc1)c1ccco1 ZINC000084496807 545790286 /nfs/dbraw/zinc/79/02/86/545790286.db2.gz JQHPYYQMDKMVOM-MRXNPFEDSA-N 1 2 314.410 3.472 50 0 DGAALO CC[N@H+](Cc1cnn(C)c1)Cc1cc(Cl)cc(OC)c1OC 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C[N@H+](Cc1sc(N2CCCC2)nc1Cl)C[C@H]1CCCO1 ZINC000670447848 547756138 /nfs/dbraw/zinc/75/61/38/547756138.db2.gz ZSZUSHMMWAFIBK-LLVKDONJSA-N 1 2 315.870 3.008 50 0 DGAALO Cc1c[nH]cc1C(=O)NCc1ccc2c(c1)[nH+]c(C)n2C1CC1 ZINC000585087183 575271042 /nfs/dbraw/zinc/27/10/42/575271042.db2.gz DVBAAZAKZVZTKZ-UHFFFAOYSA-N 1 2 308.385 3.246 50 0 DGAALO O=Cc1ccccc1NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000004992063 656448740 /nfs/dbraw/zinc/44/87/40/656448740.db2.gz OPDWNHWANKKTRG-GOSISDBHSA-N 1 2 308.381 3.102 50 0 DGAALO O=Cc1ccccc1NC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000004992063 656448742 /nfs/dbraw/zinc/44/87/42/656448742.db2.gz OPDWNHWANKKTRG-GOSISDBHSA-N 1 2 308.381 3.102 50 0 DGAALO O=C(Cc1cccs1)N1CC[C@H](CCOc2cc[nH+]cc2)C1 ZINC000169785028 659192207 /nfs/dbraw/zinc/19/22/07/659192207.db2.gz IHWVGSOKJDQJEP-CQSZACIVSA-N 1 2 316.426 3.003 50 0 DGAALO CCOc1ccc(C[N@H+](CC)Cc2nc(C)c(C)n2C)cc1 ZINC000952965943 662208888 /nfs/dbraw/zinc/20/88/88/662208888.db2.gz SOUSEMBXJODISA-UHFFFAOYSA-N 1 2 301.434 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C[N@@H+]1CC[C@@H](NC(=O)c2ccsc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000095449205 185368424 /nfs/dbraw/zinc/36/84/24/185368424.db2.gz GANGUXKHYQXJEF-CABCVRRESA-N 1 2 322.380 3.202 50 0 DGAALO C[N@H+]1CC[C@@H](NC(=O)c2ccsc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000095449205 185368425 /nfs/dbraw/zinc/36/84/25/185368425.db2.gz GANGUXKHYQXJEF-CABCVRRESA-N 1 2 322.380 3.202 50 0 DGAALO Cc1ccoc1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000095449207 185368461 /nfs/dbraw/zinc/36/84/61/185368461.db2.gz IDHKWPRRUUIZOS-LSDHHAIUSA-N 1 2 320.339 3.041 50 0 DGAALO Cc1ccoc1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000095449207 185368462 /nfs/dbraw/zinc/36/84/62/185368462.db2.gz IDHKWPRRUUIZOS-LSDHHAIUSA-N 1 2 320.339 3.041 50 0 DGAALO Cn1ccnc1[C@@H]1CCC[N@@H+]1CCSc1ccccc1F ZINC000095456030 185369957 /nfs/dbraw/zinc/36/99/57/185369957.db2.gz LHXXEWQLWDDKCB-AWEZNQCLSA-N 1 2 305.422 3.488 50 0 DGAALO Cn1ccnc1[C@@H]1CCC[N@H+]1CCSc1ccccc1F ZINC000095456030 185369958 /nfs/dbraw/zinc/36/99/58/185369958.db2.gz LHXXEWQLWDDKCB-AWEZNQCLSA-N 1 2 305.422 3.488 50 0 DGAALO C[C@H]([NH2+]Cc1noc2c1CCCC2)c1ccc2c(c1)OCCO2 ZINC000097033008 185399711 /nfs/dbraw/zinc/39/97/11/185399711.db2.gz QUOMJZWUVWEVFV-LBPRGKRZSA-N 1 2 314.385 3.175 50 0 DGAALO Cn1cc[nH+]c1-c1cccc(NC(=O)COC2CCCCC2)c1 ZINC000065152702 432010738 /nfs/dbraw/zinc/01/07/38/432010738.db2.gz GZXSNTSKPKZJID-UHFFFAOYSA-N 1 2 313.401 3.375 50 0 DGAALO CCC12CN3CC(CC)(C[NH+](C1)C3c1c[nH]c3ccccc31)C2=O ZINC000019320085 282531116 /nfs/dbraw/zinc/53/11/16/282531116.db2.gz RVDLMRVAVMWOJM-UHFFFAOYSA-N 1 2 323.440 3.173 50 0 biogenic DGAALO CCOc1cc(C)c(-c2[nH+]ccn2[C@@H](C)C(N)=O)cc1C(C)C ZINC000071745381 191019019 /nfs/dbraw/zinc/01/90/19/191019019.db2.gz WAQRZFDJQWTLSW-ZDUSSCGKSA-N 1 2 315.417 3.427 50 0 DGAALO Cc1ccc(-c2ccnc(NCC[C@@H](C)n3cc[nH+]c3)n2)c(C)n1 ZINC000071753481 191023806 /nfs/dbraw/zinc/02/38/06/191023806.db2.gz HFBFKFDXKVMJBZ-CQSZACIVSA-N 1 2 322.416 3.415 50 0 DGAALO Cc1cc(C)n([C@@H]2CC[N@H+](Cc3ccc(F)c(F)c3F)C2)n1 ZINC000072164204 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O=C(Cc1ccon1)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000072962654 191258157 /nfs/dbraw/zinc/25/81/57/191258157.db2.gz KKUVYZMPEWXZFX-UHFFFAOYSA-N 1 2 322.368 3.056 50 0 DGAALO COc1c(C)cc(C)cc1-c1nccn1CCCn1cc[nH+]c1 ZINC000067446816 432030654 /nfs/dbraw/zinc/03/06/54/432030654.db2.gz JOFYDHSPKNLUIN-UHFFFAOYSA-N 1 2 310.401 3.462 50 0 DGAALO O=C(CCCOCc1ccccc1)Nc1c[nH+]c2n1CCCC2 ZINC000067603769 432033413 /nfs/dbraw/zinc/03/34/13/432033413.db2.gz QFDIDFXUHFGQBH-UHFFFAOYSA-N 1 2 313.401 3.155 50 0 DGAALO CCCCc1nc(Cl)c(-c2nccn2CCc2c[nH]c[nH+]2)[nH]1 ZINC000067714166 432036682 /nfs/dbraw/zinc/03/66/82/432036682.db2.gz ASIZALJSUVPMGV-UHFFFAOYSA-N 1 2 318.812 3.235 50 0 DGAALO Cc1cccc(-c2cn([C@@H](Cn3cc[nH+]c3)C(C)(C)C)nn2)n1 ZINC000067714800 432037742 /nfs/dbraw/zinc/03/77/42/432037742.db2.gz ISIULPCZSYKEJR-INIZCTEOSA-N 1 2 310.405 3.132 50 0 DGAALO O=C(CC(c1ccccc1)c1ccccc1)NC1=[NH+]CCS1 ZINC000004309560 181096075 /nfs/dbraw/zinc/09/60/75/181096075.db2.gz KCILYRJLEUKZDP-UHFFFAOYSA-N 1 2 310.422 3.428 50 0 DGAALO c1[nH]cc(Cc2nc(-c3ccccc3)nn2-c2ccccc2)[nH+]1 ZINC000067868523 432043928 /nfs/dbraw/zinc/04/39/28/432043928.db2.gz GBOTZGOBSBELTN-UHFFFAOYSA-N 1 2 301.353 3.248 50 0 DGAALO CC(=O)c1c(C)[nH]c(C(=O)Cn2c(C)[nH+]c3ccccc32)c1C ZINC000005627689 181265382 /nfs/dbraw/zinc/26/53/82/181265382.db2.gz SGUHUZOFJFZIIT-UHFFFAOYSA-N 1 2 309.369 3.375 50 0 DGAALO CC(C)Oc1ccc(NC(=O)NCCn2cc[nH+]c2)c(Cl)c1 ZINC000187260906 200084655 /nfs/dbraw/zinc/08/46/55/200084655.db2.gz NBPAUBDPAXDDCN-UHFFFAOYSA-N 1 2 322.796 3.145 50 0 DGAALO Cc1c[nH]c(CN(C)C(=O)c2cc3c(cccc3Cl)[nH]2)[nH+]1 ZINC000426470714 237973879 /nfs/dbraw/zinc/97/38/79/237973879.db2.gz QBZJROWHLRJOSP-UHFFFAOYSA-N 1 2 302.765 3.125 50 0 DGAALO COc1ccccc1C[N@H+](C)[C@H](C)C(=O)NCC1CCCCC1 ZINC000006602123 181360391 /nfs/dbraw/zinc/36/03/91/181360391.db2.gz MUBZALUDFYHDRK-OAHLLOKOSA-N 1 2 318.461 3.212 50 0 DGAALO COc1ccccc1C[N@@H+](C)[C@H](C)C(=O)NCC1CCCCC1 ZINC000006602123 181360393 /nfs/dbraw/zinc/36/03/93/181360393.db2.gz MUBZALUDFYHDRK-OAHLLOKOSA-N 1 2 318.461 3.212 50 0 DGAALO Nc1cc(N[C@H]2CCCc3nc(-c4ccccc4)ncc32)[nH+]cn1 ZINC000091440215 193055926 /nfs/dbraw/zinc/05/59/26/193055926.db2.gz MQDQBLHTWMVSCX-AWEZNQCLSA-N 1 2 318.384 3.005 50 0 DGAALO c1cn(Cc2nc(C3CCCC3)nn2CCc2ccccc2)c[nH+]1 ZINC000091964602 193134318 /nfs/dbraw/zinc/13/43/18/193134318.db2.gz QWIJLWCENPFOST-UHFFFAOYSA-N 1 2 321.428 3.423 50 0 DGAALO CCCCc1[nH]c(C[N@@H+]2CCC[C@](CC3CC3)(C(=O)[O-])C2)c[nH+]1 ZINC000091974090 193135041 /nfs/dbraw/zinc/13/50/41/193135041.db2.gz KHMHHEXAIMAAHS-GOSISDBHSA-N 1 2 319.449 3.219 50 0 DGAALO CCCCc1[nH]c(C[N@H+]2CCC[C@](CC3CC3)(C(=O)[O-])C2)c[nH+]1 ZINC000091974090 193135042 /nfs/dbraw/zinc/13/50/42/193135042.db2.gz KHMHHEXAIMAAHS-GOSISDBHSA-N 1 2 319.449 3.219 50 0 DGAALO CCC[C@H](NC(=O)c1cc(C(C)C)nn1CC)c1[nH+]ccn1C ZINC000091998094 193139145 /nfs/dbraw/zinc/13/91/45/193139145.db2.gz QFADLVMSJUGHGR-ZDUSSCGKSA-N 1 2 317.437 3.031 50 0 DGAALO CC(C)N(C)c1ccc(CNc2cccc(NC(N)=O)c2)c[nH+]1 ZINC000252491707 202848043 /nfs/dbraw/zinc/84/80/43/202848043.db2.gz LRGWKPXNTFEZKN-UHFFFAOYSA-N 1 2 313.405 3.029 50 0 DGAALO COc1ncccc1-c1csc(Cc2cn3ccccc3[nH+]2)n1 ZINC000253416583 202876901 /nfs/dbraw/zinc/87/69/01/202876901.db2.gz UXUXXEUPSTZSHO-UHFFFAOYSA-N 1 2 322.393 3.452 50 0 DGAALO COc1ccc(C[N@@H+]2CCO[C@H](c3ccc(C)o3)C2)cc1OC ZINC000093864961 193321467 /nfs/dbraw/zinc/32/14/67/193321467.db2.gz CBPOZEDMPBYVAD-SFHVURJKSA-N 1 2 317.385 3.179 50 0 DGAALO COc1ccc(C[N@H+]2CCO[C@H](c3ccc(C)o3)C2)cc1OC ZINC000093864961 193321468 /nfs/dbraw/zinc/32/14/68/193321468.db2.gz CBPOZEDMPBYVAD-SFHVURJKSA-N 1 2 317.385 3.179 50 0 DGAALO CSC[C@H](C)C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000096432070 193639375 /nfs/dbraw/zinc/63/93/75/193639375.db2.gz JUYRAROOJIIQRL-STQMWFEESA-N 1 2 303.431 3.049 50 0 DGAALO C[C@]12CC3CC(C(=O)NCCCn4cc[nH+]c4)(C1)C[C@@](C)(C3)C2 ZINC000016551582 182049138 /nfs/dbraw/zinc/04/91/38/182049138.db2.gz XMVLIXKFHPYDPO-AFGAAMFOSA-N 1 2 315.461 3.386 50 0 DGAALO O=C(c1c(F)cccc1Cl)N1CC[NH+](Cc2ccco2)CC1 ZINC000016580092 182050202 /nfs/dbraw/zinc/05/02/02/182050202.db2.gz WCRKWFLJIIOPCO-UHFFFAOYSA-N 1 2 322.767 3.030 50 0 DGAALO CCc1ccc(OC[C@@H](O)Cn2c(C)[nH+]c3ccccc32)cc1 ZINC000016903675 182063681 /nfs/dbraw/zinc/06/36/81/182063681.db2.gz PFCZFRHUAPOFFK-INIZCTEOSA-N 1 2 310.397 3.347 50 0 DGAALO O=C(c1ccccc1)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000019841850 182155718 /nfs/dbraw/zinc/15/57/18/182155718.db2.gz KVOAEQKXTFFFRB-UHFFFAOYSA-N 1 2 314.816 3.298 50 0 DGAALO Clc1ccccc1CN1CC[NH+](Cc2ccncc2)CC1 ZINC000019788654 182149026 /nfs/dbraw/zinc/14/90/26/182149026.db2.gz QAIDGFPPKMCSTI-UHFFFAOYSA-N 1 2 301.821 3.053 50 0 DGAALO Clc1ccccc1C[NH+]1CCN(Cc2ccncc2)CC1 ZINC000019788654 182149028 /nfs/dbraw/zinc/14/90/28/182149028.db2.gz QAIDGFPPKMCSTI-UHFFFAOYSA-N 1 2 301.821 3.053 50 0 DGAALO CCCc1cc(=O)[nH]c(Nc2ccc([NH+]3CCCCC3)cc2)n1 ZINC000019793442 182150358 /nfs/dbraw/zinc/15/03/58/182150358.db2.gz NYCMAIRZZXUNCT-UHFFFAOYSA-N 1 2 312.417 3.456 50 0 DGAALO CC(C)(NC(=O)/C=C/c1ccc(C(F)(F)F)cc1)c1[nH]cc[nH+]1 ZINC000493872336 246089694 /nfs/dbraw/zinc/08/96/94/246089694.db2.gz RSWNNMLWHNXNCQ-VMPITWQZSA-N 1 2 323.318 3.493 50 0 DGAALO Cc1cc(C)n(C2C[NH+](Cc3ccc([C@@H]4CCCCO4)o3)C2)n1 ZINC000097805606 193760475 /nfs/dbraw/zinc/76/04/75/193760475.db2.gz MUMGNATZALWRLP-KRWDZBQOSA-N 1 2 315.417 3.391 50 0 DGAALO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)[C@H]1CC=CCC1 ZINC000022288783 182316134 /nfs/dbraw/zinc/31/61/34/182316134.db2.gz ZAFHNLUOMKNIAE-ZDUSSCGKSA-N 1 2 305.447 3.424 50 0 DGAALO CCc1cccc(NC(=O)c2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000023675248 182365937 /nfs/dbraw/zinc/36/59/37/182365937.db2.gz CVVCMPYGVADRCH-UHFFFAOYSA-N 1 2 324.424 3.334 50 0 DGAALO CC(C)c1ccc(C[NH+]2CCN(C(=O)c3ccncc3)CC2)cc1 ZINC000040162193 183041830 /nfs/dbraw/zinc/04/18/30/183041830.db2.gz ACZHCCFNXYQIDS-UHFFFAOYSA-N 1 2 323.440 3.163 50 0 DGAALO Cc1cn2cc(NC(=O)Cc3c[nH]c4ccccc34)ccc2[nH+]1 ZINC000041305379 183184324 /nfs/dbraw/zinc/18/43/24/183184324.db2.gz UEQFFPFBTFFFIW-UHFFFAOYSA-N 1 2 304.353 3.305 50 0 DGAALO Cc1cccc(C(=O)c2ccc(C[NH+]3CCOCC3)cc2)c1C ZINC000043210844 183344264 /nfs/dbraw/zinc/34/42/64/183344264.db2.gz QYEKCLROXWGWGX-UHFFFAOYSA-N 1 2 309.409 3.367 50 0 DGAALO O=C(c1ccc(C[NH+]2CCOCC2)cc1)c1ccc(F)c(F)c1 ZINC000043210868 183345252 /nfs/dbraw/zinc/34/52/52/183345252.db2.gz LVIZQAHCKFHQCJ-UHFFFAOYSA-N 1 2 317.335 3.028 50 0 DGAALO C[N@H+](CCOc1ccc(Cl)cc1)Cc1nc(C2CC2)no1 ZINC000043999715 183392070 /nfs/dbraw/zinc/39/20/70/183392070.db2.gz ZSADIGDBHGQNKE-UHFFFAOYSA-N 1 2 307.781 3.111 50 0 DGAALO C[N@@H+](CCOc1ccc(Cl)cc1)Cc1nc(C2CC2)no1 ZINC000043999715 183392072 /nfs/dbraw/zinc/39/20/72/183392072.db2.gz ZSADIGDBHGQNKE-UHFFFAOYSA-N 1 2 307.781 3.111 50 0 DGAALO C[C@@H](c1cccs1)N(C)C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000058054670 184071508 /nfs/dbraw/zinc/07/15/08/184071508.db2.gz IKMGVJFQWOEFJB-LBPRGKRZSA-N 1 2 312.398 3.162 50 0 DGAALO Cc1sc2ncn(Cc3[nH+]c4ccccc4n3C)c(=O)c2c1C ZINC000058213539 184088724 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ZINC000010767656 431466972 /nfs/dbraw/zinc/46/69/72/431466972.db2.gz KPBJKYXNDKKQAI-SNVBAGLBSA-N 1 2 322.380 3.412 50 0 DGAALO O=c1cc(Cn2cc[nH+]c2)c2cc(O)c(-c3ccccc3)cc2o1 ZINC000012663482 431522290 /nfs/dbraw/zinc/52/22/90/431522290.db2.gz QSDGPOIOZGSLDI-UHFFFAOYSA-N 1 2 318.332 3.410 50 0 biogenic DGAALO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1ccccc1 ZINC000012750192 431525694 /nfs/dbraw/zinc/52/56/94/431525694.db2.gz HSZRBMBNVMQVOX-UHFFFAOYSA-N 1 2 301.415 3.381 50 0 DGAALO O=C(c1ccc(Cl)cc1)[C@@H]1CCCN(Cc2[nH]cc[nH+]2)C1 ZINC000011819910 431484712 /nfs/dbraw/zinc/48/47/12/431484712.db2.gz NLZYAOHERJHPMM-CYBMUJFWSA-N 1 2 303.793 3.158 50 0 DGAALO O=C(c1ccc(Cl)cc1)[C@@H]1CCC[N@H+](Cc2ncc[nH]2)C1 ZINC000011819910 431484719 /nfs/dbraw/zinc/48/47/19/431484719.db2.gz NLZYAOHERJHPMM-CYBMUJFWSA-N 1 2 303.793 3.158 50 0 DGAALO O=C(c1ccc(Cl)cc1)[C@@H]1CCC[N@@H+](Cc2ncc[nH]2)C1 ZINC000011819910 431484724 /nfs/dbraw/zinc/48/47/24/431484724.db2.gz NLZYAOHERJHPMM-CYBMUJFWSA-N 1 2 303.793 3.158 50 0 DGAALO O=C(CCCc1cccs1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075557222 431485871 /nfs/dbraw/zinc/48/58/71/431485871.db2.gz AVSDYQKPSXGRPH-CYBMUJFWSA-N 1 2 303.431 3.200 50 0 DGAALO Cc1csc([C@@H]2CN(c3cc(C)[nH+]c(C4CC4)n3)CCO2)n1 ZINC000116260535 431498386 /nfs/dbraw/zinc/49/83/86/431498386.db2.gz WXJKLZWWSWLNQD-ZDUSSCGKSA-N 1 2 316.430 3.005 50 0 DGAALO COc1ccc(-c2noc(CCc3[nH]c4ccccc4[nH+]3)n2)cc1 ZINC000012323974 431499355 /nfs/dbraw/zinc/49/93/55/431499355.db2.gz BNSVUXIICYIXGU-UHFFFAOYSA-N 1 2 320.352 3.407 50 0 DGAALO CN(Cc1[nH+]ccn1C)C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000012507169 431510730 /nfs/dbraw/zinc/51/07/30/431510730.db2.gz QOZZUPXAJKHCBZ-UHFFFAOYSA-N 1 2 319.408 3.288 50 0 DGAALO CCN(CC)c1[nH+]cccc1CNC(=O)c1ccc(C)s1 ZINC000012430374 431511044 /nfs/dbraw/zinc/51/10/44/431511044.db2.gz MDUNCTJSTZOTCX-UHFFFAOYSA-N 1 2 303.431 3.228 50 0 DGAALO COc1ccc(C(=O)N[C@H](Cc2[nH]cc[nH+]2)c2ccccc2)cc1 ZINC000012531627 431512870 /nfs/dbraw/zinc/51/28/70/431512870.db2.gz PYHDNELYBWIORW-QGZVFWFLSA-N 1 2 321.380 3.132 50 0 DGAALO Cc1ccc(C(=O)N[C@H](Cc2[nH]cc[nH+]2)c2ccccc2)cc1 ZINC000012541547 431514803 /nfs/dbraw/zinc/51/48/03/431514803.db2.gz LWQQKAJUXDDMFV-QGZVFWFLSA-N 1 2 305.381 3.432 50 0 DGAALO Cn1cc[nH+]c1[C@@H](NC(=O)Cc1ccccc1)c1ccc(F)cc1 ZINC000012824092 431533295 /nfs/dbraw/zinc/53/32/95/431533295.db2.gz LBLJVRVCRIDSKH-SFHVURJKSA-N 1 2 323.371 3.008 50 0 DGAALO CC(C)CN1CC[N@H+](Cc2ccc3occc3c2)[C@@H](C)C1=O ZINC000077506153 431601465 /nfs/dbraw/zinc/60/14/65/431601465.db2.gz DAJUAFGTTBZESR-AWEZNQCLSA-N 1 2 300.402 3.122 50 0 DGAALO CC(C)CN1CC[N@@H+](Cc2ccc3occc3c2)[C@@H](C)C1=O ZINC000077506153 431601470 /nfs/dbraw/zinc/60/14/70/431601470.db2.gz DAJUAFGTTBZESR-AWEZNQCLSA-N 1 2 300.402 3.122 50 0 DGAALO COc1ccc(-c2noc(C[N@H+](C)Cc3ccc(C)o3)n2)cc1 ZINC000020600469 431625641 /nfs/dbraw/zinc/62/56/41/431625641.db2.gz QPIJYKIUYVJZJU-UHFFFAOYSA-N 1 2 313.357 3.279 50 0 DGAALO COc1ccc(-c2noc(C[N@@H+](C)Cc3ccc(C)o3)n2)cc1 ZINC000020600469 431625647 /nfs/dbraw/zinc/62/56/47/431625647.db2.gz QPIJYKIUYVJZJU-UHFFFAOYSA-N 1 2 313.357 3.279 50 0 DGAALO O=C1Nc2ccccc2[C@@]12[NH2+]CCc1c3cc(Cl)ccc3[nH]c12 ZINC000020512969 431626569 /nfs/dbraw/zinc/62/65/69/431626569.db2.gz BTYDHONRXYUMDC-SFHVURJKSA-N 1 2 323.783 3.163 50 0 biogenic DGAALO O=C1Nc2ccccc2[C@]12[NH2+]CCc1c3cc(Cl)ccc3[nH]c12 ZINC000020512966 431626602 /nfs/dbraw/zinc/62/66/02/431626602.db2.gz BTYDHONRXYUMDC-GOSISDBHSA-N 1 2 323.783 3.163 50 0 biogenic DGAALO C[N@@H+]1CCc2nc(NC(=O)c3cc4ccccc4o3)sc2C1 ZINC000022905100 431637590 /nfs/dbraw/zinc/63/75/90/431637590.db2.gz MHVXLZAMOSWCOX-UHFFFAOYSA-N 1 2 313.382 3.130 50 0 DGAALO C[N@H+]1CCc2nc(NC(=O)c3cc4ccccc4o3)sc2C1 ZINC000022905100 431637598 /nfs/dbraw/zinc/63/75/98/431637598.db2.gz MHVXLZAMOSWCOX-UHFFFAOYSA-N 1 2 313.382 3.130 50 0 DGAALO Cc1ccc2c(c1)CCCN2C(=O)Cc1cn2ccccc2[nH+]1 ZINC000024443492 431644187 /nfs/dbraw/zinc/64/41/87/431644187.db2.gz RXRDUPSUUMTKAV-UHFFFAOYSA-N 1 2 305.381 3.165 50 0 DGAALO Cc1cc2[nH+]cn(CC(=O)NCCCc3ccccc3)c2cc1C ZINC000025218890 431647351 /nfs/dbraw/zinc/64/73/51/431647351.db2.gz HBFVNCPAXKMLHP-UHFFFAOYSA-N 1 2 321.424 3.402 50 0 DGAALO C[C@@H](NC(=O)NCc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000025113635 431649541 /nfs/dbraw/zinc/64/95/41/431649541.db2.gz HOPLKOUJRYBJEP-OAHLLOKOSA-N 1 2 320.396 3.433 50 0 DGAALO CC[N@H+](CCCNc1nn2cc(C)nc2s1)c1ccccc1 ZINC000026696753 431679188 /nfs/dbraw/zinc/67/91/88/431679188.db2.gz TWHQHBJEPJPTHZ-UHFFFAOYSA-N 1 2 315.446 3.428 50 0 DGAALO CC[N@@H+](CCCNc1nn2cc(C)nc2s1)c1ccccc1 ZINC000026696753 431679193 /nfs/dbraw/zinc/67/91/93/431679193.db2.gz TWHQHBJEPJPTHZ-UHFFFAOYSA-N 1 2 315.446 3.428 50 0 DGAALO C[C@H](c1nc(C(C)(C)C)no1)[N@H+](C)CCOc1ccccc1 ZINC000078777971 431706519 /nfs/dbraw/zinc/70/65/19/431706519.db2.gz MJLOMHJFSMCJDR-CYBMUJFWSA-N 1 2 303.406 3.439 50 0 DGAALO C[C@H](c1nc(C(C)(C)C)no1)[N@@H+](C)CCOc1ccccc1 ZINC000078777971 431706529 /nfs/dbraw/zinc/70/65/29/431706529.db2.gz MJLOMHJFSMCJDR-CYBMUJFWSA-N 1 2 303.406 3.439 50 0 DGAALO Cc1[nH+]c2ccccc2n1CCNC(=O)Nc1ccccc1F ZINC000028798455 431711175 /nfs/dbraw/zinc/71/11/75/431711175.db2.gz PNJKCMASDCHMOK-UHFFFAOYSA-N 1 2 312.348 3.306 50 0 DGAALO C[C@H](NC(=O)NCc1ccc(N2CCCC2)[nH+]c1)c1ccccc1 ZINC000029328072 431718154 /nfs/dbraw/zinc/71/81/54/431718154.db2.gz WGUNKTGGJQIWAW-HNNXBMFYSA-N 1 2 324.428 3.242 50 0 DGAALO CC(C)CCC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000034198274 431818074 /nfs/dbraw/zinc/81/80/74/431818074.db2.gz KQIDCHVXPYRMQK-RMKNXTFCSA-N 1 2 300.446 3.280 50 0 DGAALO Cc1cc(C[NH+]2CCN(c3cc(C)c4ccccc4n3)CC2)on1 ZINC000032869677 431795386 /nfs/dbraw/zinc/79/53/86/431795386.db2.gz QOFZSVSECFIHDO-UHFFFAOYSA-N 1 2 322.412 3.162 50 0 DGAALO Cc1ccccc1N1CC[N@H+](Cc2ccc3[nH]ccc3c2)CC1=O ZINC000082091992 431804039 /nfs/dbraw/zinc/80/40/39/431804039.db2.gz JSSRGXUYSPBGAB-UHFFFAOYSA-N 1 2 319.408 3.325 50 0 DGAALO Cc1ccccc1N1CC[N@@H+](Cc2ccc3[nH]ccc3c2)CC1=O ZINC000082091992 431804044 /nfs/dbraw/zinc/80/40/44/431804044.db2.gz JSSRGXUYSPBGAB-UHFFFAOYSA-N 1 2 319.408 3.325 50 0 DGAALO COc1cccc(C[N@@H+]2CCN(c3ccccc3C)C(=O)[C@H]2C)c1 ZINC000037521631 431847496 /nfs/dbraw/zinc/84/74/96/431847496.db2.gz NVEMLYDVAYWHKJ-MRXNPFEDSA-N 1 2 324.424 3.241 50 0 DGAALO COc1cccc(C[N@H+]2CCN(c3ccccc3C)C(=O)[C@H]2C)c1 ZINC000037521631 431847497 /nfs/dbraw/zinc/84/74/97/431847497.db2.gz NVEMLYDVAYWHKJ-MRXNPFEDSA-N 1 2 324.424 3.241 50 0 DGAALO Cn1c2ccccc2[nH+]c1C1CCC(CNC(=O)C2CC2)CC1 ZINC000044442212 431873502 /nfs/dbraw/zinc/87/35/02/431873502.db2.gz MVOHPGZSJOCAIS-UHFFFAOYSA-N 1 2 311.429 3.373 50 0 DGAALO CCc1ccc(C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)s1 ZINC000040013020 431856011 /nfs/dbraw/zinc/85/60/11/431856011.db2.gz KOABXRLWJAXUGI-MRXNPFEDSA-N 1 2 314.454 3.439 50 0 DGAALO CCc1ccc(C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)s1 ZINC000040013020 431856013 /nfs/dbraw/zinc/85/60/13/431856013.db2.gz KOABXRLWJAXUGI-MRXNPFEDSA-N 1 2 314.454 3.439 50 0 DGAALO O=C(NCc1ccc(N2CCCCC2)[nH+]c1)c1cccs1 ZINC000040118882 431856540 /nfs/dbraw/zinc/85/65/40/431856540.db2.gz RILJSDDJKYWCAJ-UHFFFAOYSA-N 1 2 301.415 3.063 50 0 DGAALO Cc1nc(NC(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)sc1C ZINC000036247449 431836441 /nfs/dbraw/zinc/83/64/41/431836441.db2.gz VJKNNMQPBKHDPS-LBPRGKRZSA-N 1 2 315.442 3.145 50 0 DGAALO Cc1nc(NC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)sc1C ZINC000036247449 431836446 /nfs/dbraw/zinc/83/64/46/431836446.db2.gz VJKNNMQPBKHDPS-LBPRGKRZSA-N 1 2 315.442 3.145 50 0 DGAALO CCOC(=O)C1CC[NH+](Cc2csc(C(C)(C)C)n2)CC1 ZINC000047867252 431916139 /nfs/dbraw/zinc/91/61/39/431916139.db2.gz NKAQIGANEMTFPR-UHFFFAOYSA-N 1 2 310.463 3.216 50 0 DGAALO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccccc1-c1ccccc1 ZINC000048129075 431920074 /nfs/dbraw/zinc/92/00/74/431920074.db2.gz DMRMGWJJNABRHH-HNNXBMFYSA-N 1 2 305.381 3.369 50 0 DGAALO c1cnc(N2CCC[C@@H](Nc3ccc4ccccc4[nH+]3)C2)nc1 ZINC000048326618 431923591 /nfs/dbraw/zinc/92/35/91/431923591.db2.gz BHHZQQZSQWZBCP-OAHLLOKOSA-N 1 2 305.385 3.106 50 0 DGAALO Cc1ccn2c(CNc3cccc(Cn4cccn4)c3)c[nH+]c2c1 ZINC000089700836 431875279 /nfs/dbraw/zinc/87/52/79/431875279.db2.gz APHUVGCSXWBTDL-UHFFFAOYSA-N 1 2 317.396 3.500 50 0 DGAALO Cn1cc[nH+]c1[C@@H](NC(=O)C[C@@H]1C=CCC1)c1ccccc1F ZINC000044890298 431878441 /nfs/dbraw/zinc/87/84/41/431878441.db2.gz QNLOVZWNQFNRND-DYVFJYSZSA-N 1 2 313.376 3.121 50 0 DGAALO O=C(CCC1CCCCC1)NCc1cccnc1-n1cc[nH+]c1 ZINC000044899559 431879306 /nfs/dbraw/zinc/87/93/06/431879306.db2.gz DKXWWMDOISIXLG-UHFFFAOYSA-N 1 2 312.417 3.244 50 0 DGAALO C[C@@H](c1cc2ccccc2o1)N(C)c1[nH+]cnc2c1cnn2C ZINC000045026412 431881134 /nfs/dbraw/zinc/88/11/34/431881134.db2.gz CZOZRBDNUVILML-NSHDSACASA-N 1 2 307.357 3.307 50 0 DGAALO C[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1ccc2c(c1)CCCC2 ZINC000089905076 431884760 /nfs/dbraw/zinc/88/47/60/431884760.db2.gz DONYXZBBCDHTPY-KBXCAEBGSA-N 1 2 323.440 3.202 50 0 DGAALO C[C@H]1CCN(c2ccc(Br)cn2)C[C@@H]1n1cc[nH+]c1 ZINC000089930004 431886114 /nfs/dbraw/zinc/88/61/14/431886114.db2.gz WYUMVKJIQZVVND-AAEUAGOBSA-N 1 2 321.222 3.128 50 0 DGAALO CCCCCNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000045586596 431887016 /nfs/dbraw/zinc/88/70/16/431887016.db2.gz RCLYVPJFIAWTJB-OAHLLOKOSA-N 1 2 318.396 3.138 50 0 DGAALO Cc1cc(C)c(C[N@@H+](Cc2nccn2C)C2CC2)c(C)c1CO ZINC000055169141 431977431 /nfs/dbraw/zinc/97/74/31/431977431.db2.gz ABOXBBHZHNWYDO-UHFFFAOYSA-N 1 2 313.445 3.002 50 0 DGAALO Cc1cc(C)c(C[N@H+](Cc2nccn2C)C2CC2)c(C)c1CO ZINC000055169141 431977433 /nfs/dbraw/zinc/97/74/33/431977433.db2.gz ABOXBBHZHNWYDO-UHFFFAOYSA-N 1 2 313.445 3.002 50 0 DGAALO COc1ccccc1N1CC[NH+](Cc2c(F)cccc2F)CC1 ZINC000055291969 431979728 /nfs/dbraw/zinc/97/97/28/431979728.db2.gz DCMBXQABEATGRC-UHFFFAOYSA-N 1 2 318.367 3.296 50 0 DGAALO Cn1cc[nH+]c1CN[C@H](c1c(F)cccc1F)C(F)(F)F ZINC000096002835 431933337 /nfs/dbraw/zinc/93/33/37/431933337.db2.gz HAKWIKHUWHUTAK-GFCCVEGCSA-N 1 2 305.250 3.092 50 0 DGAALO CCSc1cccc(CC(=O)Nc2cc[nH+]cc2N(C)C)c1 ZINC000096011092 431934346 /nfs/dbraw/zinc/93/43/46/431934346.db2.gz HSDRKCXUHSHHQG-UHFFFAOYSA-N 1 2 315.442 3.441 50 0 DGAALO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H](C)c1ccc(Cl)s1 ZINC000049153317 431937492 /nfs/dbraw/zinc/93/74/92/431937492.db2.gz VGBRKNKNFFQFML-ZJUUUORDSA-N 1 2 312.826 3.047 50 0 DGAALO Cc1cccc(CC(=O)N(Cc2c[nH+]c3ccccn23)C2CC2)c1 ZINC000096097127 431938316 /nfs/dbraw/zinc/93/83/16/431938316.db2.gz UPTDZBKJPCXUPC-UHFFFAOYSA-N 1 2 319.408 3.376 50 0 DGAALO CC(C)c1[nH+]c2ccccc2n1Cc1nc([C@H]2CCOC2)no1 ZINC000096136683 431939891 /nfs/dbraw/zinc/93/98/91/431939891.db2.gz RTRQPBZUARUDQR-LBPRGKRZSA-N 1 2 312.373 3.095 50 0 DGAALO CCc1noc(C[NH+]2CCC(Nc3cccc(C)c3)CC2)n1 ZINC000096421212 431947561 /nfs/dbraw/zinc/94/75/61/431947561.db2.gz FWKIKPUCODPFLH-UHFFFAOYSA-N 1 2 300.406 3.017 50 0 DGAALO O=C(NCCn1cc[nH+]c1)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000096424992 431948177 /nfs/dbraw/zinc/94/81/77/431948177.db2.gz GGEKKFYEGQEVAK-KGLIPLIRSA-N 1 2 324.211 3.110 50 0 DGAALO C[C@@H](NC(=O)/C=C\c1ccco1)c1cccc(-n2cc[nH+]c2)c1 ZINC000096432056 431948821 /nfs/dbraw/zinc/94/88/21/431948821.db2.gz VXWJMQVVQGPEJJ-WBTMPAOCSA-N 1 2 307.353 3.356 50 0 DGAALO CSC(C)(C)CNC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000096434639 431949193 /nfs/dbraw/zinc/94/91/93/431949193.db2.gz MXACSGHAPBDOKD-UHFFFAOYSA-N 1 2 318.446 3.350 50 0 DGAALO OCC1CCN(c2ccc(NCc3cccc(F)c3)[nH+]c2)CC1 ZINC000096482414 431952786 /nfs/dbraw/zinc/95/27/86/431952786.db2.gz ZJYHDDNYEKRNLV-UHFFFAOYSA-N 1 2 315.392 3.042 50 0 DGAALO c1cnc(NCc2ccc(N3CCc4ccccc4C3)[nH+]c2)nc1 ZINC000052409651 431955938 /nfs/dbraw/zinc/95/59/38/431955938.db2.gz UDTLTSHVBPAQIU-UHFFFAOYSA-N 1 2 317.396 3.046 50 0 DGAALO Cc1c([C@@H](C)Nc2ccc(N(C)C)c[nH+]2)cnn1-c1ccccn1 ZINC000097037995 431956907 /nfs/dbraw/zinc/95/69/07/431956907.db2.gz TWXUJLAOEUAHFT-CYBMUJFWSA-N 1 2 322.416 3.210 50 0 DGAALO c1csc([C@@H]2C[N@H+](Cc3cccc4cccnc43)CCO2)n1 ZINC000097199805 431964110 /nfs/dbraw/zinc/96/41/10/431964110.db2.gz IZDHUZXENATWPP-HNNXBMFYSA-N 1 2 311.410 3.265 50 0 DGAALO c1csc([C@@H]2C[N@@H+](Cc3cccc4cccnc43)CCO2)n1 ZINC000097199805 431964113 /nfs/dbraw/zinc/96/41/13/431964113.db2.gz IZDHUZXENATWPP-HNNXBMFYSA-N 1 2 311.410 3.265 50 0 DGAALO c1cc(Oc2ccccc2)oc1C[NH2+][C@@H]1CCCn2ncnc21 ZINC000097236047 431965754 /nfs/dbraw/zinc/96/57/54/431965754.db2.gz JHKWVEZDJHXHOA-OAHLLOKOSA-N 1 2 310.357 3.288 50 0 DGAALO CC1(C)Cc2cc(C[N@@H+]3CCO[C@@H](c4cccnc4)C3)ccc2O1 ZINC000097468174 431969677 /nfs/dbraw/zinc/96/96/77/431969677.db2.gz QDBNRAIBEJVSSV-LJQANCHMSA-N 1 2 324.424 3.369 50 0 DGAALO CC1(C)Cc2cc(C[N@H+]3CCO[C@@H](c4cccnc4)C3)ccc2O1 ZINC000097468174 431969678 /nfs/dbraw/zinc/96/96/78/431969678.db2.gz QDBNRAIBEJVSSV-LJQANCHMSA-N 1 2 324.424 3.369 50 0 DGAALO Cn1c(C[N@@H+]2CCO[C@H](c3cccnc3)C2)cc2ccccc21 ZINC000097529043 431970338 /nfs/dbraw/zinc/97/03/38/431970338.db2.gz FHMJOKMBIKHPNU-IBGZPJMESA-N 1 2 307.397 3.147 50 0 DGAALO Cn1c(C[N@H+]2CCO[C@H](c3cccnc3)C2)cc2ccccc21 ZINC000097529043 431970340 /nfs/dbraw/zinc/97/03/40/431970340.db2.gz FHMJOKMBIKHPNU-IBGZPJMESA-N 1 2 307.397 3.147 50 0 DGAALO Cc1ccc(C)c(NC(=O)C[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000057363886 431991348 /nfs/dbraw/zinc/99/13/48/431991348.db2.gz JBDVAFYMZVITIP-UHFFFAOYSA-N 1 2 323.440 3.064 50 0 DGAALO CC1CCN(c2ccc(CNC(=O)C[C@H]3C=CCC3)c[nH+]2)CC1 ZINC000058055335 431995197 /nfs/dbraw/zinc/99/51/97/431995197.db2.gz GSMJRCJIYCQBED-INIZCTEOSA-N 1 2 313.445 3.290 50 0 DGAALO C[C@@H]1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)c2ccccc21 ZINC000252477771 432378399 /nfs/dbraw/zinc/37/83/99/432378399.db2.gz VHNIDGAKDHPMLX-GLJUWKHASA-N 1 2 309.413 3.200 50 0 DGAALO Cc1cc(NC(=O)C[N@@H+]2CCCC[C@@H]2c2ccc(F)cc2)no1 ZINC000252484387 432378637 /nfs/dbraw/zinc/37/86/37/432378637.db2.gz FVCUEYRIIHNVLU-OAHLLOKOSA-N 1 2 317.364 3.288 50 0 DGAALO Cc1cc(NC(=O)C[N@H+]2CCCC[C@@H]2c2ccc(F)cc2)no1 ZINC000252484387 432378642 /nfs/dbraw/zinc/37/86/42/432378642.db2.gz FVCUEYRIIHNVLU-OAHLLOKOSA-N 1 2 317.364 3.288 50 0 DGAALO Cc1ccc(-c2nc(C[NH+]3CCC(c4cc[nH]n4)CC3)no2)cc1 ZINC000252502786 432381215 /nfs/dbraw/zinc/38/12/15/432381215.db2.gz 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/nfs/dbraw/zinc/24/54/03/191245403.db2.gz IKSIDZYOBDAHDS-UHFFFAOYSA-N 1 2 308.403 3.164 50 0 DGAALO CSc1nc(N2Cc3cnc(C(C)(C)C)nc3C2)cc(C)[nH+]1 ZINC000067641863 432033723 /nfs/dbraw/zinc/03/37/23/432033723.db2.gz QAPDHPDHXKTEBM-UHFFFAOYSA-N 1 2 315.446 3.115 50 0 DGAALO COc1cc2c(cc1-c1[nH+]ccn1Cc1ccccn1)CCC2 ZINC000067726673 432038497 /nfs/dbraw/zinc/03/84/97/432038497.db2.gz JDTZWQNYBIKVRN-UHFFFAOYSA-N 1 2 305.381 3.491 50 0 DGAALO CC(C)[C@H](NC(=O)c1cc2cc(F)ccc2[nH]1)c1[nH+]ccn1C ZINC000067772236 432039072 /nfs/dbraw/zinc/03/90/72/432039072.db2.gz QOLAMRDHXIESRD-HNNXBMFYSA-N 1 2 314.364 3.168 50 0 DGAALO COc1ccc(C(C)C)cc1S(=O)(=O)Nc1cc[nH+]cc1 ZINC000004371748 181103154 /nfs/dbraw/zinc/10/31/54/181103154.db2.gz IOSAGMYFYVFBKO-UHFFFAOYSA-N 1 2 306.387 3.014 50 0 DGAALO Cc1cc(C(=O)NCc2ccccc2-n2cc[nH+]c2)ccc1F ZINC000067816898 432043085 /nfs/dbraw/zinc/04/30/85/432043085.db2.gz ZFCLMYCCVVCSHZ-UHFFFAOYSA-N 1 2 309.344 3.250 50 0 DGAALO C[C@H](C1CC1)N(C(=O)NCc1cccc(-n2cc[nH+]c2)c1)C1CC1 ZINC000074278778 191352277 /nfs/dbraw/zinc/35/22/77/191352277.db2.gz ACIOLYLVXFZYGJ-CQSZACIVSA-N 1 2 324.428 3.345 50 0 DGAALO CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(OC)c(OCC)c1 ZINC000004978734 181183750 /nfs/dbraw/zinc/18/37/50/181183750.db2.gz JGMWAXDGISWFHZ-HNNXBMFYSA-N 1 2 321.417 3.012 50 0 DGAALO CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(OC)c(OCC)c1 ZINC000004978734 181183752 /nfs/dbraw/zinc/18/37/52/181183752.db2.gz JGMWAXDGISWFHZ-HNNXBMFYSA-N 1 2 321.417 3.012 50 0 DGAALO Cc1c(C)n(-c2ccc(C)cc2)c2nc[nH+]c(NCCCO)c12 ZINC000005244225 181221244 /nfs/dbraw/zinc/22/12/44/181221244.db2.gz CHERTLSAXXMERD-UHFFFAOYSA-N 1 2 310.401 3.140 50 0 DGAALO COc1ccc(-n2ccnc2SCc2cc[nH+]c(N)c2)cc1 ZINC000170617571 432074133 /nfs/dbraw/zinc/07/41/33/432074133.db2.gz CKBOQFRXACDNGX-UHFFFAOYSA-N 1 2 312.398 3.150 50 0 DGAALO CC[C@H](NC(=O)c1cccc2[nH+]ccn21)c1ccc(OC)cc1 ZINC000089947824 192917588 /nfs/dbraw/zinc/91/75/88/192917588.db2.gz FFYFLOAISFZXSD-HNNXBMFYSA-N 1 2 309.369 3.224 50 0 DGAALO C[C@@H]1C[N@H+](Cc2c(Cl)ccc(O)c2Cl)CC[C@]1(C)O ZINC000091425095 193053642 /nfs/dbraw/zinc/05/36/42/193053642.db2.gz MOGYRGBWDRRZOM-OTYXRUKQSA-N 1 2 304.217 3.292 50 0 DGAALO C[C@@H]1C[N@@H+](Cc2c(Cl)ccc(O)c2Cl)CC[C@]1(C)O ZINC000091425095 193053645 /nfs/dbraw/zinc/05/36/45/193053645.db2.gz MOGYRGBWDRRZOM-OTYXRUKQSA-N 1 2 304.217 3.292 50 0 DGAALO c1coc([C@@H]2C[N@H+](Cc3cc(-c4ccccc4)n[nH]3)CCO2)c1 ZINC000093841915 193316504 /nfs/dbraw/zinc/31/65/04/193316504.db2.gz VFYPTYHXLUNQRX-SFHVURJKSA-N 1 2 309.369 3.243 50 0 DGAALO c1coc([C@@H]2C[N@@H+](Cc3cc(-c4ccccc4)n[nH]3)CCO2)c1 ZINC000093841915 193316506 /nfs/dbraw/zinc/31/65/06/193316506.db2.gz VFYPTYHXLUNQRX-SFHVURJKSA-N 1 2 309.369 3.243 50 0 DGAALO Cc1cc(C(=O)N2CC[NH+](C)CC2)sc1-c1ccccc1 ZINC000016603247 182052280 /nfs/dbraw/zinc/05/22/80/182052280.db2.gz JFXKQXZKJRMLCA-UHFFFAOYSA-N 1 2 300.427 3.111 50 0 DGAALO Fc1cccc(CC[NH+]2CCN(Cc3cccs3)CC2)c1 ZINC000019773439 182145040 /nfs/dbraw/zinc/14/50/40/182145040.db2.gz 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Cc1[nH]c([C@H]2CC(=O)N(C(C)C)C2)[nH+]c1-c1ccccc1F ZINC000023310760 182356674 /nfs/dbraw/zinc/35/66/74/182356674.db2.gz RMHPCMNMICVLDX-LBPRGKRZSA-N 1 2 301.365 3.249 50 0 DGAALO O=C1c2ccccc2N(C[N@@H+]2CCC[C@@H]2c2cccs2)C1=O ZINC000023717957 182367724 /nfs/dbraw/zinc/36/77/24/182367724.db2.gz ZSSJAMXVSYMUOL-CQSZACIVSA-N 1 2 312.394 3.072 50 0 DGAALO O=C1c2ccccc2N(C[N@H+]2CCC[C@@H]2c2cccs2)C1=O ZINC000023717957 182367726 /nfs/dbraw/zinc/36/77/26/182367726.db2.gz ZSSJAMXVSYMUOL-CQSZACIVSA-N 1 2 312.394 3.072 50 0 DGAALO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCc2ccccc2C1 ZINC000024049513 182373579 /nfs/dbraw/zinc/37/35/79/182373579.db2.gz DETLVBOXRDBWPH-UHFFFAOYSA-N 1 2 303.365 3.071 50 0 DGAALO C[C@@H](NC(=O)[C@@H](C)[N@H+](C)Cc1ccco1)c1ccc(F)cc1 ZINC000024972899 182397247 /nfs/dbraw/zinc/39/72/47/182397247.db2.gz FWLWQXPGHRSKJB-CHWSQXEVSA-N 1 2 304.365 3.116 50 0 DGAALO C[C@@H](NC(=O)[C@@H](C)[N@@H+](C)Cc1ccco1)c1ccc(F)cc1 ZINC000024972899 182397250 /nfs/dbraw/zinc/39/72/50/182397250.db2.gz 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/nfs/dbraw/zinc/25/04/16/183250416.db2.gz WFYDBOWXQJIYHS-UHFFFAOYSA-N 1 2 318.804 3.311 50 0 DGAALO COc1cc2c(cc1OC)C[N@@H+](Cc1ccc(Cl)nc1)CC2 ZINC000042293097 183250417 /nfs/dbraw/zinc/25/04/17/183250417.db2.gz WFYDBOWXQJIYHS-UHFFFAOYSA-N 1 2 318.804 3.311 50 0 DGAALO O=C(NCCn1cc[nH+]c1)N[C@H](c1cccs1)C1CCCC1 ZINC000043311048 183354688 /nfs/dbraw/zinc/35/46/88/183354688.db2.gz BUGDYOZPSJAUKG-HNNXBMFYSA-N 1 2 318.446 3.175 50 0 DGAALO O=C(c1ccc(-n2cc[nH+]c2)nc1)N1CCC[C@H]1c1ccsc1 ZINC000044943585 183462901 /nfs/dbraw/zinc/46/29/01/183462901.db2.gz BTECJVQHYOIMRK-HNNXBMFYSA-N 1 2 324.409 3.306 50 0 DGAALO O=C1OCC[C@H]1[NH2+]C[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000058077411 184073420 /nfs/dbraw/zinc/07/34/20/184073420.db2.gz RZLWCSRHOWDWRY-VQIMIIECSA-N 1 2 320.392 3.205 50 0 DGAALO C[C@@H]([NH2+]C[C@@H](c1cccs1)N(C)C)c1nc(C(C)(C)C)no1 ZINC000058177852 184085018 /nfs/dbraw/zinc/08/50/18/184085018.db2.gz ZIHBTYHLFJUPRP-NEPJUHHUSA-N 1 2 322.478 3.382 50 0 DGAALO 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COc1c(C)c[nH+]c(CN(C)C(=O)c2cccc(F)c2)c1C ZINC000058958709 431997650 /nfs/dbraw/zinc/99/76/50/431997650.db2.gz DCIBUUZCYIAGFW-UHFFFAOYSA-N 1 2 302.349 3.118 50 0 DGAALO CCn1ccc(C[NH+]2CCC(Oc3ccccc3F)CC2)n1 ZINC000252509113 432382095 /nfs/dbraw/zinc/38/20/95/432382095.db2.gz YCSAQOBLMJMUNI-UHFFFAOYSA-N 1 2 303.381 3.086 50 0 DGAALO Cn1cccc1[C@H]1CCCC[N@@H+]1Cc1ncnn1C(C)(C)C ZINC000253392709 432391355 /nfs/dbraw/zinc/39/13/55/432391355.db2.gz UFOGGNMYQCESCU-OAHLLOKOSA-N 1 2 301.438 3.099 50 0 DGAALO Cn1cccc1[C@H]1CCCC[N@H+]1Cc1ncnn1C(C)(C)C ZINC000253392709 432391359 /nfs/dbraw/zinc/39/13/59/432391359.db2.gz UFOGGNMYQCESCU-OAHLLOKOSA-N 1 2 301.438 3.099 50 0 DGAALO CC(C)([NH2+]Cc1nnc2n1CCCC2)c1cccc(Cl)c1F ZINC000253421464 432395737 /nfs/dbraw/zinc/39/57/37/432395737.db2.gz WDKRCDYYKOTCLL-UHFFFAOYSA-N 1 2 322.815 3.432 50 0 DGAALO Clc1ccc(OCC[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)cc1 ZINC000193997097 432515597 /nfs/dbraw/zinc/51/55/97/432515597.db2.gz KUPSAKYSWOUVTF-CYBMUJFWSA-N 1 2 305.809 3.322 50 0 DGAALO Clc1ccc(OCC[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)cc1 ZINC000193997097 432515599 /nfs/dbraw/zinc/51/55/99/432515599.db2.gz KUPSAKYSWOUVTF-CYBMUJFWSA-N 1 2 305.809 3.322 50 0 DGAALO c1csc([C@H]2CCC[N@H+]2Cc2ccc3c(c2)OCCO3)n1 ZINC000216278359 432649603 /nfs/dbraw/zinc/64/96/03/432649603.db2.gz IFZMFZFHZIXHPX-CYBMUJFWSA-N 1 2 302.399 3.251 50 0 DGAALO c1csc([C@H]2CCC[N@@H+]2Cc2ccc3c(c2)OCCO3)n1 ZINC000216278359 432649605 /nfs/dbraw/zinc/64/96/05/432649605.db2.gz IFZMFZFHZIXHPX-CYBMUJFWSA-N 1 2 302.399 3.251 50 0 DGAALO COc1cc(-c2ccc(Cn3cc[nH+]c3)cn2)c(Cl)cn1 ZINC000216280327 432650008 /nfs/dbraw/zinc/65/00/08/432650008.db2.gz GLUFDYCYXDQCLD-UHFFFAOYSA-N 1 2 300.749 3.050 50 0 DGAALO CO[C@@H](C)c1ccc(-c2ccc(C[NH+]3CCOCC3)cn2)cc1 ZINC000216317336 432650142 /nfs/dbraw/zinc/65/01/42/432650142.db2.gz SVHJITUXHHMBMT-HNNXBMFYSA-N 1 2 312.413 3.288 50 0 DGAALO Cc1cc(Cl)ccc1C(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000219752560 432663536 /nfs/dbraw/zinc/66/35/36/432663536.db2.gz 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/nfs/dbraw/zinc/38/99/96/433389996.db2.gz YAFMCDVLWXZOBW-CYBMUJFWSA-N 1 2 321.421 3.277 50 0 DGAALO Cc1cc(C(=O)NCCc2c[nH+]c[nH]2)sc1-c1ccccc1 ZINC000426517964 433521126 /nfs/dbraw/zinc/52/11/26/433521126.db2.gz RDDOMLUSFZDGPE-UHFFFAOYSA-N 1 2 311.410 3.419 50 0 DGAALO Cc1cc(C(=O)NCCc2c[nH]c[nH+]2)sc1-c1ccccc1 ZINC000426517964 433521136 /nfs/dbraw/zinc/52/11/36/433521136.db2.gz RDDOMLUSFZDGPE-UHFFFAOYSA-N 1 2 311.410 3.419 50 0 DGAALO CC[C@@H](Cn1cc[nH+]c1)NC(=O)N(C)Cc1ccccc1Cl ZINC000426573150 433533193 /nfs/dbraw/zinc/53/31/93/433533193.db2.gz NHKKOQYVJVLXDN-AWEZNQCLSA-N 1 2 320.824 3.157 50 0 DGAALO Cc1cnc(C(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)cn1 ZINC000014910430 292884229 /nfs/dbraw/zinc/88/42/29/292884229.db2.gz CALDJHULFRLJFI-UHFFFAOYSA-N 1 2 321.384 3.113 50 0 DGAALO CCn1ncnc1C[NH2+]C1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000408514823 434584472 /nfs/dbraw/zinc/58/44/72/434584472.db2.gz UUCWOKWGUBYHNE-UHFFFAOYSA-N 1 2 311.216 3.384 50 0 DGAALO Cc1noc(C)c1C(=O)N1CC[C@@H](n2c(C)[nH+]c3ccccc32)C1 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COc1cc2c(c(C[N@@H+](C)Cc3scnc3C)c1)O[C@H](C)C2 ZINC000179425452 655892801 /nfs/dbraw/zinc/89/28/01/655892801.db2.gz XBAADEIHPVSEPO-LLVKDONJSA-N 1 2 318.442 3.416 50 0 DGAALO CCCC[C@H]1CC[C@H](C(=O)N(CCO)Cc2c[nH+]c(C)[nH]2)CC1 ZINC001704339830 1202521601 /nfs/dbraw/zinc/52/16/01/1202521601.db2.gz NGBYVUFWCXCMEQ-WKILWMFISA-N 1 2 321.465 3.036 50 0 DGAALO CCCC[C@H]1CC[C@H](C(=O)N(CCO)Cc2c[nH]c(C)[nH+]2)CC1 ZINC001704339830 1202521602 /nfs/dbraw/zinc/52/16/02/1202521602.db2.gz NGBYVUFWCXCMEQ-WKILWMFISA-N 1 2 321.465 3.036 50 0 DGAALO CC(=O)c1cc(C[N@@H+](C)CCc2noc(C(C)C)n2)cs1 ZINC000823716273 1091698382 /nfs/dbraw/zinc/69/83/82/1091698382.db2.gz JYPVSEUJSZJCFN-UHFFFAOYSA-N 1 2 307.419 3.132 50 0 DGAALO CC(=O)c1cc(C[N@H+](C)CCc2noc(C(C)C)n2)cs1 ZINC000823716273 1091698384 /nfs/dbraw/zinc/69/83/84/1091698384.db2.gz JYPVSEUJSZJCFN-UHFFFAOYSA-N 1 2 307.419 3.132 50 0 DGAALO CSc1ccc(-c2n[nH]c(C3(Cn4cc[nH+]c4)CC3)n2)cc1 ZINC000824935532 1091730214 /nfs/dbraw/zinc/73/02/14/1091730214.db2.gz QWPXWMZUWJDOAC-UHFFFAOYSA-N 1 2 311.414 3.122 50 0 DGAALO Cc1c[nH+]c(-c2ccccc2)n1C1CN(C(=O)c2ccoc2)C1 ZINC000581807703 1092280680 /nfs/dbraw/zinc/28/06/80/1092280680.db2.gz MRKYUTWWUAJZJR-UHFFFAOYSA-N 1 2 307.353 3.149 50 0 DGAALO Cc1c[nH+]c(-c2cccnc2)n1[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000581808406 1092281731 /nfs/dbraw/zinc/28/17/31/1092281731.db2.gz UBZZLFKXKISEDL-KRWDZBQOSA-N 1 2 324.428 3.217 50 0 DGAALO CC(C)[N@H+](C)Cc1nc(-c2cc3c([nH]c2=O)[C@@H](C)CCC3)no1 ZINC000585120563 1095019561 /nfs/dbraw/zinc/01/95/61/1095019561.db2.gz VMVVOSUMDLVXJK-NSHDSACASA-N 1 2 316.405 3.117 50 0 DGAALO CC(C)[N@@H+](C)Cc1nc(-c2cc3c([nH]c2=O)[C@@H](C)CCC3)no1 ZINC000585120563 1095019575 /nfs/dbraw/zinc/01/95/75/1095019575.db2.gz VMVVOSUMDLVXJK-NSHDSACASA-N 1 2 316.405 3.117 50 0 DGAALO Fc1c[nH+]ccc1N1CCN(c2nc3ccccc3s2)CC1 ZINC000095508245 185375926 /nfs/dbraw/zinc/37/59/26/185375926.db2.gz MZBGYIIDQUSYQX-UHFFFAOYSA-N 1 2 314.389 3.157 50 0 DGAALO Cc1cc2ncn(Cc3[nH+]ccn3CC(F)(F)F)c2cc1C ZINC000076695079 185032150 /nfs/dbraw/zinc/03/21/50/185032150.db2.gz UWKONWWLQGOAGX-UHFFFAOYSA-N 1 2 308.307 3.460 50 0 DGAALO CC[C@@H](NC(=O)c1ccc2nc(C)c(C)nc2c1)c1[nH]cc(C)[nH+]1 ZINC000095521571 185377370 /nfs/dbraw/zinc/37/73/70/185377370.db2.gz HZCBRHSWLSEMFT-CQSZACIVSA-N 1 2 323.400 3.159 50 0 DGAALO Cn1c2ccc(NC(=O)CCc3ccncc3)cc2[nH+]c1C1CC1 ZINC000089989709 185274950 /nfs/dbraw/zinc/27/49/50/185274950.db2.gz XWRFUPPJBJCLPX-UHFFFAOYSA-N 1 2 320.396 3.417 50 0 DGAALO CCC[C@@H](NC(=O)NCc1[nH+]ccn1C)c1ccc(F)cc1F ZINC000089949734 185271291 /nfs/dbraw/zinc/27/12/91/185271291.db2.gz GQHBMXJPWJDSOA-CQSZACIVSA-N 1 2 322.359 3.039 50 0 DGAALO CCCCc1[nH]c2ccc(NC(=O)c3c[nH]c(=O)cc3C)cc2[nH+]1 ZINC000089954843 185271769 /nfs/dbraw/zinc/27/17/69/185271769.db2.gz DQFWYRRCUIIJKO-UHFFFAOYSA-N 1 2 324.384 3.155 50 0 DGAALO CC[C@H](C)c1cc(C(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)on1 ZINC000095401290 185354420 /nfs/dbraw/zinc/35/44/20/185354420.db2.gz AWODHISTUSTYMZ-SWLSCSKDSA-N 1 2 318.421 3.229 50 0 DGAALO CN(C)c1ccc(NCc2ccc(Oc3cnccn3)cc2)c[nH+]1 ZINC000095430844 185363163 /nfs/dbraw/zinc/36/31/63/185363163.db2.gz VZEUOBANYWCYRK-UHFFFAOYSA-N 1 2 321.384 3.342 50 0 DGAALO Cc1ccc(C(=O)N(C)C2CCN(c3cccc[nH+]3)CC2)s1 ZINC000065621145 432012511 /nfs/dbraw/zinc/01/25/11/432012511.db2.gz ZRCMZTJEIFYZRL-UHFFFAOYSA-N 1 2 315.442 3.193 50 0 DGAALO C[C@@H](C(=O)N1CCS[C@@H](C)[C@@H]1c1ccccc1)n1cc[nH+]c1 ZINC000110601727 295743824 /nfs/dbraw/zinc/74/38/24/295743824.db2.gz GECUFRDUQANWNT-OFQRWUPVSA-N 1 2 315.442 3.149 50 0 DGAALO CCCC12CN3CC(CCC)(C[NH+](C1)C3c1ccccc1)C2=O ZINC000019323904 282630033 /nfs/dbraw/zinc/63/00/33/282630033.db2.gz GIVICBKBCMPIFR-UHFFFAOYSA-N 1 2 312.457 3.472 50 0 biogenic DGAALO Oc1cccc(C[N@H+](Cc2cn(-c3ccccc3)nn2)C2CC2)c1 ZINC000072169628 191068233 /nfs/dbraw/zinc/06/82/33/191068233.db2.gz VWGFRODSFAFRDN-UHFFFAOYSA-N 1 2 320.396 3.138 50 0 DGAALO Oc1cccc(C[N@@H+](Cc2cn(-c3ccccc3)nn2)C2CC2)c1 ZINC000072169628 191068234 /nfs/dbraw/zinc/06/82/34/191068234.db2.gz VWGFRODSFAFRDN-UHFFFAOYSA-N 1 2 320.396 3.138 50 0 DGAALO Cc1c2ccc(C)cc2oc1C(=O)N1CCCn2c[nH+]cc2C1 ZINC000072174339 191071040 /nfs/dbraw/zinc/07/10/40/191071040.db2.gz QAANAUWXUJIDHR-UHFFFAOYSA-N 1 2 309.369 3.292 50 0 DGAALO CCc1ccccc1NC(=O)COc1cccc(-n2cc[nH+]c2)c1 ZINC000072296214 191111907 /nfs/dbraw/zinc/11/19/07/191111907.db2.gz ZLJPMNDTJRJXMT-UHFFFAOYSA-N 1 2 321.380 3.452 50 0 DGAALO O=C(Nc1nccs1)[C@@H](c1ccccc1)[NH+]1CCCCC1 ZINC000052534207 304018316 /nfs/dbraw/zinc/01/83/16/304018316.db2.gz YHAPKGVGAGARFK-CQSZACIVSA-N 1 2 301.415 3.309 50 0 DGAALO C[C@H](NC(=O)NCc1ccco1)c1cccc(-n2cc[nH+]c2)c1 ZINC000080634855 192175383 /nfs/dbraw/zinc/17/53/83/192175383.db2.gz ULXGVDVKHUOYBH-ZDUSSCGKSA-N 1 2 310.357 3.026 50 0 DGAALO C[C@@H](NC(=O)NCc1ccco1)c1cccc(-n2cc[nH+]c2)c1 ZINC000080634857 192175607 /nfs/dbraw/zinc/17/56/07/192175607.db2.gz ULXGVDVKHUOYBH-CYBMUJFWSA-N 1 2 310.357 3.026 50 0 DGAALO CCc1[nH]c(C)c(-c2nccn2CCc2cccc(OC)c2)[nH+]1 ZINC000067673936 432034315 /nfs/dbraw/zinc/03/43/15/432034315.db2.gz KEGAEVRFTRTROD-UHFFFAOYSA-N 1 2 310.401 3.395 50 0 DGAALO Cc1ccc(C2(O)CCN(c3[nH+]ccc4ccccc43)CC2)nc1 ZINC000067724620 432037204 /nfs/dbraw/zinc/03/72/04/432037204.db2.gz ALXQDQJMFHEHSQ-UHFFFAOYSA-N 1 2 319.408 3.426 50 0 DGAALO Cc1ccc(Nc2nc(N3CCCC3)[nH+]c(N3CCCC3)n2)cc1 ZINC000004331185 181098593 /nfs/dbraw/zinc/09/85/93/181098593.db2.gz PLZKGTTYIJKABA-UHFFFAOYSA-N 1 2 324.432 3.124 50 0 DGAALO C[C@@H](Cc1ccccc1)n1cc(NC(=O)Nc2ccccc2)[o+]n1 ZINC000005735333 181278520 /nfs/dbraw/zinc/27/85/20/181278520.db2.gz OWFUPROYPKGHMH-AWEZNQCLSA-O 1 2 323.376 3.410 50 0 in-vitro DGAALO Cc1ncsc1C[NH2+][C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000237527676 202272497 /nfs/dbraw/zinc/27/24/97/202272497.db2.gz QYKBFOMBERKNPM-LBPRGKRZSA-N 1 2 314.414 3.276 50 0 DGAALO C[C@H]([NH2+]Cc1cn2ccsc2n1)c1nc2ccccc2n1C ZINC000091309060 193036888 /nfs/dbraw/zinc/03/68/88/193036888.db2.gz WWEADHFYYCJVJC-NSHDSACASA-N 1 2 311.414 3.133 50 0 DGAALO Cn1cc[nH+]c1C1CCN(C(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000091537066 193071012 /nfs/dbraw/zinc/07/10/12/193071012.db2.gz CKHGRYWMSGFBQR-UHFFFAOYSA-N 1 2 320.343 3.110 50 0 DGAALO O=C1CCCN1c1cccc(CNc2cc[nH+]c(C3CC3)n2)c1 ZINC000110203756 284071634 /nfs/dbraw/zinc/07/16/34/284071634.db2.gz GYLGGEHHWWASQC-UHFFFAOYSA-N 1 2 308.385 3.093 50 0 DGAALO Cc1ccc(C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2)cc1F ZINC000012531871 181771187 /nfs/dbraw/zinc/77/11/87/181771187.db2.gz YIRMJLSGSINHPJ-KRWDZBQOSA-N 1 2 323.371 3.387 50 0 DGAALO Cc1cc(C)cc(NC(=O)N2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000013325073 181843476 /nfs/dbraw/zinc/84/34/76/181843476.db2.gz YNISEJBTKYHZDO-UHFFFAOYSA-N 1 2 324.428 3.048 50 0 DGAALO COCC(=O)Nc1cccc(CCc2[nH]c3ccc(C)cc3[nH+]2)c1 ZINC000015863598 182022795 /nfs/dbraw/zinc/02/27/95/182022795.db2.gz NTLSRGWQHLJRHL-UHFFFAOYSA-N 1 2 323.396 3.241 50 0 DGAALO COCC(=O)Nc1cccc(CCc2[nH]c3cc(C)ccc3[nH+]2)c1 ZINC000015863598 182022798 /nfs/dbraw/zinc/02/27/98/182022798.db2.gz NTLSRGWQHLJRHL-UHFFFAOYSA-N 1 2 323.396 3.241 50 0 DGAALO CCCc1cc(C(=O)N2CC[NH+](Cc3ccco3)CC2)cs1 ZINC000016580299 182051070 /nfs/dbraw/zinc/05/10/70/182051070.db2.gz NQZYMFGQUJGHKO-UHFFFAOYSA-N 1 2 318.442 3.252 50 0 DGAALO Cn1cc[nH+]c1[C@H](NC(=O)c1cccs1)c1ccccc1F ZINC000018236695 182100133 /nfs/dbraw/zinc/10/01/33/182100133.db2.gz MTUAFAKCRJULTL-CQSZACIVSA-N 1 2 315.373 3.140 50 0 DGAALO Fc1ccc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000019359139 182117909 /nfs/dbraw/zinc/11/79/09/182117909.db2.gz ADDGKBOMXLUYET-UHFFFAOYSA-N 1 2 302.368 3.283 50 0 DGAALO Clc1ccc(CN2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000019369892 182119697 /nfs/dbraw/zinc/11/96/97/182119697.db2.gz VCWQZMLKEXOVHE-UHFFFAOYSA-N 1 2 301.821 3.053 50 0 DGAALO Clc1ccc(C[NH+]2CCN(Cc3cccnc3)CC2)cc1 ZINC000019369892 182119698 /nfs/dbraw/zinc/11/96/98/182119698.db2.gz VCWQZMLKEXOVHE-UHFFFAOYSA-N 1 2 301.821 3.053 50 0 DGAALO CCc1ccc(C[NH+]2CCN(C(=O)c3cccs3)CC2)cc1 ZINC000019841776 182155595 /nfs/dbraw/zinc/15/55/95/182155595.db2.gz ZFIXHOZTXTXOAJ-UHFFFAOYSA-N 1 2 314.454 3.269 50 0 DGAALO CSc1ccc(CN2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000019880287 182160010 /nfs/dbraw/zinc/16/00/10/182160010.db2.gz JXDVLEUTBUUQJP-UHFFFAOYSA-N 1 2 313.470 3.121 50 0 DGAALO O=C(c1ccccc1Cl)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020158845 182193858 /nfs/dbraw/zinc/19/38/58/182193858.db2.gz YSBQFDDGKPHHSA-UHFFFAOYSA-N 1 2 314.816 3.298 50 0 DGAALO CCCCSc1nc2sc3c(c2c(N)n1)CC[N@H+](C)C3 ZINC000020358354 182211091 /nfs/dbraw/zinc/21/10/91/182211091.db2.gz NHRBYSIASFENFJ-UHFFFAOYSA-N 1 2 308.476 3.154 50 0 DGAALO CCCCSc1nc2sc3c(c2c(N)n1)CC[N@@H+](C)C3 ZINC000020358354 182211092 /nfs/dbraw/zinc/21/10/92/182211092.db2.gz NHRBYSIASFENFJ-UHFFFAOYSA-N 1 2 308.476 3.154 50 0 DGAALO CC(C)(C)CC(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000020467907 182220678 /nfs/dbraw/zinc/22/06/78/182220678.db2.gz TVZBGRQWURWXGS-UHFFFAOYSA-N 1 2 308.853 3.420 50 0 DGAALO COc1ccc(C[N@@H+]2CCC[C@H]2c2cc(C)on2)c(OC)c1 ZINC000021720236 182286498 /nfs/dbraw/zinc/28/64/98/182286498.db2.gz WXGBONVZTWWIQK-INIZCTEOSA-N 1 2 302.374 3.337 50 0 DGAALO COc1ccc(C[N@H+]2CCC[C@H]2c2cc(C)on2)c(OC)c1 ZINC000021720236 182286501 /nfs/dbraw/zinc/28/65/01/182286501.db2.gz WXGBONVZTWWIQK-INIZCTEOSA-N 1 2 302.374 3.337 50 0 DGAALO C[C@@H](NC(=O)c1cc(Cl)c[nH]1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000023564853 182363005 /nfs/dbraw/zinc/36/30/05/182363005.db2.gz QQVAVCHHSMKPDA-LLVKDONJSA-N 1 2 314.776 3.345 50 0 DGAALO COc1cc(CC(=O)Nc2ccc(-n3cc[nH+]c3)cc2)ccc1C ZINC000023890376 182369702 /nfs/dbraw/zinc/36/97/02/182369702.db2.gz MYAFGHXROZUWAM-UHFFFAOYSA-N 1 2 321.380 3.371 50 0 DGAALO C[C@H](NC(=O)[C@H](C)[N@H+](C)Cc1ccco1)c1ccc(F)cc1 ZINC000024972917 182396697 /nfs/dbraw/zinc/39/66/97/182396697.db2.gz FWLWQXPGHRSKJB-STQMWFEESA-N 1 2 304.365 3.116 50 0 DGAALO C[C@H](NC(=O)[C@H](C)[N@@H+](C)Cc1ccco1)c1ccc(F)cc1 ZINC000024972917 182396699 /nfs/dbraw/zinc/39/66/99/182396699.db2.gz FWLWQXPGHRSKJB-STQMWFEESA-N 1 2 304.365 3.116 50 0 DGAALO O=C(C1CCCC1)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000040162106 183042185 /nfs/dbraw/zinc/04/21/85/183042185.db2.gz FEYOFRSOVDNJAG-UHFFFAOYSA-N 1 2 306.837 3.174 50 0 DGAALO C[N@H+](Cc1nnc(-c2ccccc2)o1)Cc1ccc2c(c1)OCO2 ZINC000040465930 183072360 /nfs/dbraw/zinc/07/23/60/183072360.db2.gz MMXDJNRHIQFCRM-UHFFFAOYSA-N 1 2 323.352 3.097 50 0 DGAALO C[N@@H+](Cc1nnc(-c2ccccc2)o1)Cc1ccc2c(c1)OCO2 ZINC000040465930 183072363 /nfs/dbraw/zinc/07/23/63/183072363.db2.gz MMXDJNRHIQFCRM-UHFFFAOYSA-N 1 2 323.352 3.097 50 0 DGAALO FC(F)(F)c1ccnc(Oc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000040490468 183080000 /nfs/dbraw/zinc/08/00/00/183080000.db2.gz RRYVGGZZCZHDAV-UHFFFAOYSA-N 1 2 306.247 3.473 50 0 DGAALO CC(C)c1noc([C@H](C)[N@H+](C)Cc2ccc3c(c2)OCCO3)n1 ZINC000040496456 183081362 /nfs/dbraw/zinc/08/13/62/183081362.db2.gz CZXFAQHCRKEXRH-LBPRGKRZSA-N 1 2 317.389 3.157 50 0 DGAALO CC(C)c1noc([C@H](C)[N@@H+](C)Cc2ccc3c(c2)OCCO3)n1 ZINC000040496456 183081364 /nfs/dbraw/zinc/08/13/64/183081364.db2.gz CZXFAQHCRKEXRH-LBPRGKRZSA-N 1 2 317.389 3.157 50 0 DGAALO OCCCNc1nc(NCCc2ccccc2)[nH+]c2ccccc21 ZINC000041150472 183177784 /nfs/dbraw/zinc/17/77/84/183177784.db2.gz NOCMNPNQMXVIEG-UHFFFAOYSA-N 1 2 322.412 3.079 50 0 DGAALO C[N@H+](Cc1ncc(C(C)(C)C)o1)Cc1ccc2c(c1)OCO2 ZINC000041646400 183213790 /nfs/dbraw/zinc/21/37/90/183213790.db2.gz JPFPVUGSCKCQAC-UHFFFAOYSA-N 1 2 302.374 3.333 50 0 DGAALO C[N@@H+](Cc1ncc(C(C)(C)C)o1)Cc1ccc2c(c1)OCO2 ZINC000041646400 183213794 /nfs/dbraw/zinc/21/37/94/183213794.db2.gz JPFPVUGSCKCQAC-UHFFFAOYSA-N 1 2 302.374 3.333 50 0 DGAALO C[C@H](Cn1cc[nH+]c1)NC(=O)C1(c2ccc(F)cc2)CCCC1 ZINC000042534105 183282320 /nfs/dbraw/zinc/28/23/20/183282320.db2.gz OOYMILUIKUTPMU-CQSZACIVSA-N 1 2 315.392 3.039 50 0 DGAALO CC[C@@H](C)c1ccc(O[C@@H]2C[NH2+][C@H](C(=O)OC)C2)c(Cl)c1 ZINC000042783114 183309111 /nfs/dbraw/zinc/30/91/11/183309111.db2.gz NKLWJNRHKHGBRR-OSMZGAPFSA-N 1 2 311.809 3.136 50 0 DGAALO O=C(c1ccc(C[NH+]2CCOCC2)cc1)c1ccc(F)cc1F ZINC000043210867 183345136 /nfs/dbraw/zinc/34/51/36/183345136.db2.gz SVCAORHLOSOIMM-UHFFFAOYSA-N 1 2 317.335 3.028 50 0 DGAALO CCCc1ccccc1NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000044080206 183394343 /nfs/dbraw/zinc/39/43/43/183394343.db2.gz LPAATALILRXDIQ-UHFFFAOYSA-N 1 2 324.428 3.388 50 0 DGAALO CCn1cc(CC[N@@H+]2CCO[C@@H](c3cccc(Cl)c3)C2)cn1 ZINC000285113106 218295510 /nfs/dbraw/zinc/29/55/10/218295510.db2.gz RMQPRHZYUDSGND-QGZVFWFLSA-N 1 2 319.836 3.172 50 0 DGAALO CCn1cc(CC[N@H+]2CCO[C@@H](c3cccc(Cl)c3)C2)cn1 ZINC000285113106 218295512 /nfs/dbraw/zinc/29/55/12/218295512.db2.gz RMQPRHZYUDSGND-QGZVFWFLSA-N 1 2 319.836 3.172 50 0 DGAALO C[C@@H]1CCCC[N@@H+]1Cc1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000003370189 296314408 /nfs/dbraw/zinc/31/44/08/296314408.db2.gz MCVFRPMOSOVZBK-LLVKDONJSA-N 1 2 317.458 3.238 50 0 DGAALO C[C@@H]1CCCC[N@H+]1Cc1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000003370189 296314409 /nfs/dbraw/zinc/31/44/09/296314409.db2.gz MCVFRPMOSOVZBK-LLVKDONJSA-N 1 2 317.458 3.238 50 0 DGAALO CCSCCC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000058330671 184106196 /nfs/dbraw/zinc/10/61/96/184106196.db2.gz OTXAMOXEDNVHEH-UHFFFAOYSA-N 1 2 319.430 3.044 50 0 DGAALO Fc1ccc(-c2ccc(C[NH2+]Cc3nnc4ccccn43)o2)cc1 ZINC000061029195 184159712 /nfs/dbraw/zinc/15/97/12/184159712.db2.gz SKEIMAHSQOACHD-UHFFFAOYSA-N 1 2 322.343 3.418 50 0 DGAALO Cn1cc[nH+]c1-c1cccc(NC(=O)c2cc(C3CC3)on2)c1 ZINC000063770089 184287756 /nfs/dbraw/zinc/28/77/56/184287756.db2.gz RIPSLULMFLRUQZ-UHFFFAOYSA-N 1 2 308.341 3.205 50 0 DGAALO Cc1ccc(Cc2nc(-c3ccc(-n4cc[nH+]c4)nc3)no2)cc1 ZINC000065239590 184317247 /nfs/dbraw/zinc/31/72/47/184317247.db2.gz VKQCNIQQXMPNCN-UHFFFAOYSA-N 1 2 317.352 3.217 50 0 DGAALO CC[NH+](CC)Cc1nnc2sc(-c3ccc(C)cc3)nn12 ZINC000065363269 184328667 /nfs/dbraw/zinc/32/86/67/184328667.db2.gz USCGYASPIDFIMA-UHFFFAOYSA-N 1 2 301.419 3.003 50 0 DGAALO CC(=O)c1cc(-c2ccccc2C[NH+]2CCOCC2)ccc1O ZINC000065370542 184329397 /nfs/dbraw/zinc/32/93/97/184329397.db2.gz CIJFULRFEVUSDX-UHFFFAOYSA-N 1 2 311.381 3.094 50 0 DGAALO CCC[C@@H](C)c1c(-c2ccccc2)[nH+]cn1CCOCCO ZINC000065370705 184329552 /nfs/dbraw/zinc/32/95/52/184329552.db2.gz QPVXQLRRJZAIFG-OAHLLOKOSA-N 1 2 302.418 3.463 50 0 DGAALO CCCCc1[nH]c([C@@H]2CC(=O)Nc3n[nH]c(C4CCC4)c32)c[nH+]1 ZINC000065464673 184349523 /nfs/dbraw/zinc/34/95/23/184349523.db2.gz BIXNHNCTKZLGAB-NSHDSACASA-N 1 2 313.405 3.217 50 0 DGAALO CCCCc1[nH]cc([C@@H]2CC(=O)Nc3n[nH]c(C4CCC4)c32)[nH+]1 ZINC000065464673 184349524 /nfs/dbraw/zinc/34/95/24/184349524.db2.gz BIXNHNCTKZLGAB-NSHDSACASA-N 1 2 313.405 3.217 50 0 DGAALO Cn1cc[nH+]c1CNC(=O)c1ccccc1CCc1ccccc1 ZINC000065607940 184372260 /nfs/dbraw/zinc/37/22/60/184372260.db2.gz UTIHIYJNPUPLOL-UHFFFAOYSA-N 1 2 319.408 3.135 50 0 DGAALO COc1ccc(C[N@H+](Cc2nccn2C)C(C)C)cc1Cl ZINC000065495952 184355027 /nfs/dbraw/zinc/35/50/27/184355027.db2.gz SRSOANMMZXMHND-UHFFFAOYSA-N 1 2 307.825 3.493 50 0 DGAALO COc1ccc(C[N@@H+](Cc2nccn2C)C(C)C)cc1Cl ZINC000065495952 184355029 /nfs/dbraw/zinc/35/50/29/184355029.db2.gz SRSOANMMZXMHND-UHFFFAOYSA-N 1 2 307.825 3.493 50 0 DGAALO C[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC000069462203 184517558 /nfs/dbraw/zinc/51/75/58/184517558.db2.gz LCHWBZGJJZEJAN-HUUCEWRRSA-N 1 2 307.397 3.345 50 0 DGAALO CC(C)C1(CNC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000342889535 254070991 /nfs/dbraw/zinc/07/09/91/254070991.db2.gz UINGSAPJAHUQSR-MRXNPFEDSA-N 1 2 311.429 3.484 50 0 DGAALO CC(C)Cc1noc(C[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)n1 ZINC000155084535 197020912 /nfs/dbraw/zinc/02/09/12/197020912.db2.gz GIWKZFMQCJPAKN-MRXNPFEDSA-N 1 2 314.433 3.345 50 0 DGAALO CC(C)Cc1noc(C[N@H+]2CCC[C@@H](Nc3ccccc3)C2)n1 ZINC000155084535 197020914 /nfs/dbraw/zinc/02/09/14/197020914.db2.gz GIWKZFMQCJPAKN-MRXNPFEDSA-N 1 2 314.433 3.345 50 0 DGAALO CC(C)Cn1cc[nH+]c1CNC(=O)N1CC[C@@H]2CCCC[C@H]21 ZINC000074536860 184994460 /nfs/dbraw/zinc/99/44/60/184994460.db2.gz VFIRGYWDYKRRML-LSDHHAIUSA-N 1 2 304.438 3.013 50 0 DGAALO CCCC(=O)Nc1ccc2[nH+]c(N3CCOCC3)cc(C)c2c1 ZINC000033084514 134685578 /nfs/dbraw/zinc/68/55/78/134685578.db2.gz MYEVVGUHSYJMJI-UHFFFAOYSA-N 1 2 313.401 3.118 50 0 DGAALO C[C@@H](CC(C)(C)c1ccccc1)NC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000584887224 400121067 /nfs/dbraw/zinc/12/10/67/400121067.db2.gz WMLJZYUYWNFPDY-AWEZNQCLSA-N 1 2 314.433 3.308 50 0 DGAALO COc1ccc(Cl)cc1NC(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000097102359 400283310 /nfs/dbraw/zinc/28/33/10/400283310.db2.gz NESRWCWYDYRQEH-LLVKDONJSA-N 1 2 322.796 3.003 50 0 DGAALO c1cc2ncc(CN3CC[NH+](Cc4ccncc4)CC3)cc2s1 ZINC000097376965 400285642 /nfs/dbraw/zinc/28/56/42/400285642.db2.gz MWZWCZXWFNXITO-UHFFFAOYSA-N 1 2 324.453 3.009 50 0 DGAALO c1cc2ncc(C[NH+]3CCN(Cc4ccncc4)CC3)cc2s1 ZINC000097376965 400285647 /nfs/dbraw/zinc/28/56/47/400285647.db2.gz MWZWCZXWFNXITO-UHFFFAOYSA-N 1 2 324.453 3.009 50 0 DGAALO CCn1ncc2c1CCC[C@H]2[NH2+]Cc1csc(C2CC2)n1 ZINC000072298443 400379742 /nfs/dbraw/zinc/37/97/42/400379742.db2.gz BKJUKUQKFKSBFB-CQSZACIVSA-N 1 2 302.447 3.404 50 0 DGAALO CCn1ncc2c1CCC[C@@H]2[NH2+][C@@H](C)c1nc(C(C)(C)C)no1 ZINC000072299746 400380147 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DHWXTEJTDSPOIG-UHFFFAOYSA-N 1 2 316.430 3.069 50 0 DGAALO C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccccc1-c1ccccc1 ZINC000048129077 431920091 /nfs/dbraw/zinc/92/00/91/431920091.db2.gz DMRMGWJJNABRHH-OAHLLOKOSA-N 1 2 305.381 3.369 50 0 DGAALO O=C(N[C@H](c1ccccc1)C1CC1)c1ccnc(-n2cc[nH+]c2)c1 ZINC000048224107 431920982 /nfs/dbraw/zinc/92/09/82/431920982.db2.gz FJXLAGHWPHPKFL-GOSISDBHSA-N 1 2 318.380 3.148 50 0 DGAALO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)c1ccccc1 ZINC000048324547 431922728 /nfs/dbraw/zinc/92/27/28/431922728.db2.gz VEOSIVVQFDTESO-UHFFFAOYSA-N 1 2 309.413 3.392 50 0 DGAALO Cn1cc[nH+]c1CNC(=O)N(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000089761439 431877851 /nfs/dbraw/zinc/87/78/51/431877851.db2.gz IPWUYQSUAIGCMH-QGZVFWFLSA-N 1 2 324.428 3.172 50 0 DGAALO CC(C)[C@H](NC(=O)N[C@H](C)Cn1cc[nH+]c1)c1cccs1 ZINC000045123920 431881680 /nfs/dbraw/zinc/88/16/80/431881680.db2.gz HSRSOUPQHJNENC-OCCSQVGLSA-N 1 2 306.435 3.030 50 0 DGAALO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000089894303 431883944 /nfs/dbraw/zinc/88/39/44/431883944.db2.gz KVOCAJOSYHKHTP-ZIAGYGMSSA-N 1 2 305.422 3.211 50 0 DGAALO Cc1nnc([C@H]2CCC[N@@H+]2Cc2[nH]c3ccc(F)cc3c2C)[nH]1 ZINC000097823412 431974669 /nfs/dbraw/zinc/97/46/69/431974669.db2.gz PIQITDYVTKPHJU-MRXNPFEDSA-N 1 2 313.380 3.379 50 0 DGAALO Cc1nnc([C@H]2CCC[N@H+]2Cc2[nH]c3ccc(F)cc3c2C)[nH]1 ZINC000097823412 431974670 /nfs/dbraw/zinc/97/46/70/431974670.db2.gz PIQITDYVTKPHJU-MRXNPFEDSA-N 1 2 313.380 3.379 50 0 DGAALO CCc1ccc2[nH+]c(N(C)CCc3noc(C)n3)cc(C)c2c1 ZINC000055052817 431975462 /nfs/dbraw/zinc/97/54/62/431975462.db2.gz ODHHZXGLNGWHRR-UHFFFAOYSA-N 1 2 310.401 3.476 50 0 DGAALO Cc1nc(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)cs1 ZINC000095950334 431927896 /nfs/dbraw/zinc/92/78/96/431927896.db2.gz BKWOHZBGSVSZNK-UHFFFAOYSA-N 1 2 321.877 3.423 50 0 DGAALO Cc1cccc(-c2cc(NC(=O)CCCn3cc[nH+]c3)n[nH]2)c1C ZINC000095961111 431928336 /nfs/dbraw/zinc/92/83/36/431928336.db2.gz HHTAHLBGQINOOH-UHFFFAOYSA-N 1 2 323.400 3.309 50 0 DGAALO Cn1ccnc1[C@@H]([NH2+]Cc1cnn(C(C)(C)C)c1)c1ccccc1 ZINC000048710491 431931497 /nfs/dbraw/zinc/93/14/97/431931497.db2.gz OAEPZKVKHKXRLK-KRWDZBQOSA-N 1 2 323.444 3.251 50 0 DGAALO Cc1ccc(-c2cccc(C(=O)N3CCc4[nH]c[nH+]c4C3)c2)o1 ZINC000096136173 431939734 /nfs/dbraw/zinc/93/97/34/431939734.db2.gz MEWUOLBYFPIUDC-UHFFFAOYSA-N 1 2 307.353 3.177 50 0 DGAALO Cc1ccc(-c2cccc(C(=O)N3CCc4[nH+]c[nH]c4C3)c2)o1 ZINC000096136173 431939736 /nfs/dbraw/zinc/93/97/36/431939736.db2.gz MEWUOLBYFPIUDC-UHFFFAOYSA-N 1 2 307.353 3.177 50 0 DGAALO COc1cc2nc(/C=C\c3[nH+]ccn3C)sc2cc1OC ZINC000096297275 431943452 /nfs/dbraw/zinc/94/34/52/431943452.db2.gz RFKLCFSZKSZLCC-PLNGDYQASA-N 1 2 301.371 3.217 50 0 DGAALO CC(C)[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CCS1 ZINC000096432256 431948619 /nfs/dbraw/zinc/94/86/19/431948619.db2.gz RMOSYHJQOYVQOG-INIZCTEOSA-N 1 2 315.442 3.086 50 0 DGAALO CC(C)c1ocnc1C(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000096436735 431949481 /nfs/dbraw/zinc/94/94/81/431949481.db2.gz NKISNFSIMSFNFU-UHFFFAOYSA-N 1 2 324.384 3.188 50 0 DGAALO C[C@@H](c1cccc(Cl)c1)N(C)c1[nH+]cnc2c1cnn2C ZINC000052472049 431956166 /nfs/dbraw/zinc/95/61/66/431956166.db2.gz LLTHTWIPMFAXGY-JTQLQIEISA-N 1 2 301.781 3.214 50 0 DGAALO CCc1ccc(NC(=O)C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000052537757 431956644 /nfs/dbraw/zinc/95/66/44/431956644.db2.gz XTUPAIFUTHNIHK-UHFFFAOYSA-N 1 2 323.440 3.010 50 0 DGAALO CSCC(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000054136266 431967809 /nfs/dbraw/zinc/96/78/09/431967809.db2.gz HZARXBVKJFKBSH-UHFFFAOYSA-N 1 2 301.415 3.188 50 0 DGAALO Fc1ccc(C[NH+]2CCN(c3ccccc3F)CC2)cc1F ZINC000055543250 431983255 /nfs/dbraw/zinc/98/32/55/431983255.db2.gz NCUSORSSEXAMQK-UHFFFAOYSA-N 1 2 306.331 3.426 50 0 DGAALO Oc1cccc(C[NH+]2CCN(c3ccccc3Cl)CC2)c1 ZINC000055542870 431983380 /nfs/dbraw/zinc/98/33/80/431983380.db2.gz BWTOPVXHEMNGMS-UHFFFAOYSA-N 1 2 302.805 3.368 50 0 DGAALO Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000055565619 431983462 /nfs/dbraw/zinc/98/34/62/431983462.db2.gz PXTWSVMNIPXGEC-QGZVFWFLSA-N 1 2 323.440 3.144 50 0 DGAALO CC1(C)Cc2occc2[C@@H]([NH2+]Cc2nnc3n2CCCC3)C1 ZINC000183848662 281376825 /nfs/dbraw/zinc/37/68/25/281376825.db2.gz RPFSKJLGEWUKEV-ZDUSSCGKSA-N 1 2 300.406 3.011 50 0 DGAALO CSCC[N@H+](C)CC(=O)c1cc(C)n(CC(F)(F)F)c1C ZINC000152335362 432326339 /nfs/dbraw/zinc/32/63/39/432326339.db2.gz KLVNFWVQGHXOCF-UHFFFAOYSA-N 1 2 322.396 3.145 50 0 DGAALO CSCC[N@@H+](C)CC(=O)c1cc(C)n(CC(F)(F)F)c1C ZINC000152335362 432326343 /nfs/dbraw/zinc/32/63/43/432326343.db2.gz KLVNFWVQGHXOCF-UHFFFAOYSA-N 1 2 322.396 3.145 50 0 DGAALO Cc1cc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H]2c2ccsc2)on1 ZINC000252452710 432377074 /nfs/dbraw/zinc/37/70/74/432377074.db2.gz XMHMQGBTSGHHHM-YPMHNXCESA-N 1 2 305.403 3.209 50 0 DGAALO Cc1cc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H]2c2ccsc2)on1 ZINC000252452710 432377076 /nfs/dbraw/zinc/37/70/76/432377076.db2.gz XMHMQGBTSGHHHM-YPMHNXCESA-N 1 2 305.403 3.209 50 0 DGAALO CCO[C@H](C)c1nc(CN2CCC[C@H]2c2[nH+]ccn2C)cs1 ZINC000252477600 432378321 /nfs/dbraw/zinc/37/83/21/432378321.db2.gz RCYUKDUONIUGIU-OCCSQVGLSA-N 1 2 320.462 3.311 50 0 DGAALO Cc1cc(N2CCOC[C@H]2CC(C)C)nc(-c2ccncc2)[nH+]1 ZINC000174997491 432386745 /nfs/dbraw/zinc/38/67/45/432386745.db2.gz UWOHRAKTDVPNAK-MRXNPFEDSA-N 1 2 312.417 3.098 50 0 DGAALO COC(=O)c1cnoc1C[NH2+][C@@H](C)c1ccc2c(c1)CCCC2 ZINC000253419013 432391913 /nfs/dbraw/zinc/39/19/13/432391913.db2.gz MFPTYBRSJFFXIX-LBPRGKRZSA-N 1 2 314.385 3.191 50 0 DGAALO C[N@@H+]1CCc2ncnc(N3CCC[C@H]3/C=C/c3ccccc3)c2C1 ZINC000253425560 432396374 /nfs/dbraw/zinc/39/63/74/432396374.db2.gz FVZMZUVWYUTLFT-FVNWOWOISA-N 1 2 320.440 3.147 50 0 DGAALO C[N@H+]1CCc2ncnc(N3CCC[C@H]3/C=C/c3ccccc3)c2C1 ZINC000253425560 432396379 /nfs/dbraw/zinc/39/63/79/432396379.db2.gz FVZMZUVWYUTLFT-FVNWOWOISA-N 1 2 320.440 3.147 50 0 DGAALO CC(C)[C@H]1c2[nH+]ccn2CCCN1C(=O)c1ccc2[nH]cnc2c1 ZINC000257192007 432415472 /nfs/dbraw/zinc/41/54/72/432415472.db2.gz SERCSHYKLVVBEB-INIZCTEOSA-N 1 2 323.400 3.003 50 0 DGAALO CCCC[N@H+](Cc1cc(Cl)cs1)[C@@H]1CCS(=O)(=O)C1 ZINC000194307083 432539671 /nfs/dbraw/zinc/53/96/71/432539671.db2.gz MIPGEPYLBGVMDV-GFCCVEGCSA-N 1 2 321.895 3.191 50 0 DGAALO CCCC[N@@H+](Cc1cc(Cl)cs1)[C@@H]1CCS(=O)(=O)C1 ZINC000194307083 432539673 /nfs/dbraw/zinc/53/96/73/432539673.db2.gz MIPGEPYLBGVMDV-GFCCVEGCSA-N 1 2 321.895 3.191 50 0 DGAALO CCC(=O)N1N=C2[C@@H]([C@@H]1c1ccc(Cl)cc1)[NH+]1CCC2CC1 ZINC000020437812 281944581 /nfs/dbraw/zinc/94/45/81/281944581.db2.gz FZFJCNSCYOLEKA-IRXDYDNUSA-N 1 2 317.820 3.084 50 0 DGAALO Cc1cc(C)n(C2C[NH+](Cc3cc4cc(F)ccc4n3C)C2)n1 ZINC000215754717 432644373 /nfs/dbraw/zinc/64/43/73/432644373.db2.gz MNURWRJQUXKTMH-UHFFFAOYSA-N 1 2 312.392 3.188 50 0 DGAALO c1c(C[N@@H+]2CCO[C@H](c3cccnc3)C2)onc1-c1ccccc1 ZINC000215818458 432645123 /nfs/dbraw/zinc/64/51/23/432645123.db2.gz XZSIEHMKUHVCMM-IBGZPJMESA-N 1 2 321.380 3.310 50 0 DGAALO c1c(C[N@H+]2CCO[C@H](c3cccnc3)C2)onc1-c1ccccc1 ZINC000215818458 432645127 /nfs/dbraw/zinc/64/51/27/432645127.db2.gz XZSIEHMKUHVCMM-IBGZPJMESA-N 1 2 321.380 3.310 50 0 DGAALO Cn1ccnc1C[N@H+](Cc1ccc2cc(O)ccc2c1)C1CC1 ZINC000216192066 432646731 /nfs/dbraw/zinc/64/67/31/432646731.db2.gz ZKOCQAHXPDQYPP-UHFFFAOYSA-N 1 2 307.397 3.444 50 0 DGAALO Cn1ccnc1C[N@@H+](Cc1ccc2cc(O)ccc2c1)C1CC1 ZINC000216192066 432646734 /nfs/dbraw/zinc/64/67/34/432646734.db2.gz ZKOCQAHXPDQYPP-UHFFFAOYSA-N 1 2 307.397 3.444 50 0 DGAALO CCn1cc[nH+]c1/C=C\C(=O)N1CCC[C@H]1Cc1ccc(C)cc1 ZINC000222030172 432669171 /nfs/dbraw/zinc/66/91/71/432669171.db2.gz HTCGKMCXXYIDLK-LENZSSGSSA-N 1 2 323.440 3.458 50 0 DGAALO Cc1nc(C[NH2+]Cc2ccc(Br)o2)c(C)s1 ZINC000225387429 432689211 /nfs/dbraw/zinc/68/92/11/432689211.db2.gz WFVFMEZVSFWUEE-UHFFFAOYSA-N 1 2 301.209 3.405 50 0 DGAALO Cc1ccccc1OC1C[NH+](C[C@@H]2CC(c3ccccc3)=NO2)C1 ZINC000244608580 432821978 /nfs/dbraw/zinc/82/19/78/432821978.db2.gz FEYKZQLOIDHJFW-KRWDZBQOSA-N 1 2 322.408 3.251 50 0 DGAALO C[N@@H+]1CC[C@@H](NC(=O)c2ccsc2)[C@H]1c1ccc(F)c(F)c1 ZINC000245289916 432824804 /nfs/dbraw/zinc/82/48/04/432824804.db2.gz GANGUXKHYQXJEF-HUUCEWRRSA-N 1 2 322.380 3.202 50 0 DGAALO C[N@H+]1CC[C@@H](NC(=O)c2ccsc2)[C@H]1c1ccc(F)c(F)c1 ZINC000245289916 432824808 /nfs/dbraw/zinc/82/48/08/432824808.db2.gz GANGUXKHYQXJEF-HUUCEWRRSA-N 1 2 322.380 3.202 50 0 DGAALO CCc1csc([C@@H]2CCCN(c3nc[nH+]c(N)c3Cl)C2)n1 ZINC000277270686 432832405 /nfs/dbraw/zinc/83/24/05/432832405.db2.gz AAGODGMSUKPJDA-SECBINFHSA-N 1 2 323.853 3.115 50 0 DGAALO CCc1csc([C@@H]2CCCN(c3[nH+]cnc(N)c3Cl)C2)n1 ZINC000277270686 432832408 /nfs/dbraw/zinc/83/24/08/432832408.db2.gz AAGODGMSUKPJDA-SECBINFHSA-N 1 2 323.853 3.115 50 0 DGAALO Cc1nc(C[NH2+]C(C)(C)c2ccc(Br)cc2)no1 ZINC000341240465 433002613 /nfs/dbraw/zinc/00/26/13/433002613.db2.gz VKXCCCHGMYKBJK-UHFFFAOYSA-N 1 2 310.195 3.165 50 0 DGAALO CCOCCCNC(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000299782087 433381365 /nfs/dbraw/zinc/38/13/65/433381365.db2.gz MDVBCFYMDLLAMX-UHFFFAOYSA-N 1 2 322.796 3.074 50 0 DGAALO C[C@H](c1c(F)cccc1F)[NH+]1CCN(c2ccccn2)CC1 ZINC000071948884 290213386 /nfs/dbraw/zinc/21/33/86/290213386.db2.gz MVESJHABYSRETA-CYBMUJFWSA-N 1 2 303.356 3.243 50 0 DGAALO Cc1ccc(-c2ccc(C(=O)NCC3(C)COC3)cc2)c(C)[nH+]1 ZINC000426529220 433522424 /nfs/dbraw/zinc/52/24/24/433522424.db2.gz HLLITXLTKPHPRX-UHFFFAOYSA-N 1 2 310.397 3.132 50 0 DGAALO O=C(NC[C@@H]1C[C@@H]2C=C[C@H]1C2)Nc1cccc(-c2c[nH]c[nH+]2)c1 ZINC000426422850 433496085 /nfs/dbraw/zinc/49/60/85/433496085.db2.gz IJDATLTZJAWQKB-IPYPFGDCSA-N 1 2 308.385 3.410 50 0 DGAALO CCCN(Cc1[nH+]ccn1C)C(=O)NCc1ccc(Cl)cc1 ZINC000426677340 433560377 /nfs/dbraw/zinc/56/03/77/433560377.db2.gz BODZVHLTBNKLBN-UHFFFAOYSA-N 1 2 320.824 3.195 50 0 DGAALO Cc1ccc(Cc2noc(-c3cccc(OC(C)C)n3)n2)c[nH+]1 ZINC000390834379 434370653 /nfs/dbraw/zinc/37/06/53/434370653.db2.gz XNGPVQJOBRMXRM-UHFFFAOYSA-N 1 2 310.357 3.213 50 0 DGAALO NC(=O)C[N@H+](Cc1csc(-c2ccccc2)n1)C1CCCC1 ZINC000047274344 295044610 /nfs/dbraw/zinc/04/46/10/295044610.db2.gz UYXZDVLFVCZYTR-UHFFFAOYSA-N 1 2 315.442 3.040 50 0 DGAALO NC(=O)C[N@@H+](Cc1csc(-c2ccccc2)n1)C1CCCC1 ZINC000047274344 295044619 /nfs/dbraw/zinc/04/46/19/295044619.db2.gz UYXZDVLFVCZYTR-UHFFFAOYSA-N 1 2 315.442 3.040 50 0 DGAALO Nc1[nH+]cnc(N2CC[C@@H](C(F)(F)F)C3(CCC3)C2)c1Cl ZINC000282149291 295374967 /nfs/dbraw/zinc/37/49/67/295374967.db2.gz BPSSPJSVHVDXLK-MRVPVSSYSA-N 1 2 320.746 3.271 50 0 DGAALO Nc1nc[nH+]c(N2CC[C@@H](C(F)(F)F)C3(CCC3)C2)c1Cl ZINC000282149291 295374969 /nfs/dbraw/zinc/37/49/69/295374969.db2.gz BPSSPJSVHVDXLK-MRVPVSSYSA-N 1 2 320.746 3.271 50 0 DGAALO C[C@H](CC(=O)NC(C)(C)c1[nH]cc[nH+]1)Cc1cccc(F)c1 ZINC000517035393 435571918 /nfs/dbraw/zinc/57/19/18/435571918.db2.gz HVJYNJGUVRQKPD-LBPRGKRZSA-N 1 2 303.381 3.169 50 0 DGAALO C[N@@H+]1CCc2ncnc(N3CCC[C@@H]3/C=C\c3ccccc3)c2C1 ZINC000540940200 435628235 /nfs/dbraw/zinc/62/82/35/435628235.db2.gz FVZMZUVWYUTLFT-DOOKAGJSSA-N 1 2 320.440 3.147 50 0 DGAALO C[N@H+]1CCc2ncnc(N3CCC[C@@H]3/C=C\c3ccccc3)c2C1 ZINC000540940200 435628240 /nfs/dbraw/zinc/62/82/40/435628240.db2.gz 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Cn1ncc2c1nc[nH+]c2N[C@H]1CCSc2c(F)cccc21 ZINC000012486716 431509969 /nfs/dbraw/zinc/50/99/69/431509969.db2.gz YBUTZYIXIGMHSZ-LBPRGKRZSA-N 1 2 315.377 3.151 50 0 DGAALO Cc1ccc(-c2[nH]cc(CCNC(=O)c3ccc(F)cc3)[nH+]2)cc1 ZINC000013608449 431559690 /nfs/dbraw/zinc/55/96/90/431559690.db2.gz FFVOPDXIZQGHKG-UHFFFAOYSA-N 1 2 323.371 3.497 50 0 DGAALO Cc1ccc(-c2[nH]c(CCNC(=O)c3ccc(F)cc3)c[nH+]2)cc1 ZINC000013608449 431559697 /nfs/dbraw/zinc/55/96/97/431559697.db2.gz FFVOPDXIZQGHKG-UHFFFAOYSA-N 1 2 323.371 3.497 50 0 DGAALO C[N@H+](Cc1cccc(F)c1)[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000012993017 431541062 /nfs/dbraw/zinc/54/10/62/431541062.db2.gz ULHRXGXKPFHPHY-SFHVURJKSA-N 1 2 312.388 3.277 50 0 DGAALO C[N@@H+](Cc1cccc(F)c1)[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000012993017 431541065 /nfs/dbraw/zinc/54/10/65/431541065.db2.gz ULHRXGXKPFHPHY-SFHVURJKSA-N 1 2 312.388 3.277 50 0 DGAALO Cc1oc(-c2cccc(F)c2)nc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000014885436 431598972 /nfs/dbraw/zinc/59/89/72/431598972.db2.gz 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431611993 /nfs/dbraw/zinc/61/19/93/431611993.db2.gz RWOYERWFPXAIDV-UHFFFAOYSA-N 1 2 312.797 3.081 50 0 DGAALO O=C(Nc1cccc(Cl)c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000019119286 431618610 /nfs/dbraw/zinc/61/86/10/431618610.db2.gz CVTQJBOLDXHJAP-UHFFFAOYSA-N 1 2 316.792 3.089 50 0 DGAALO CCC(=O)N1N=C2[C@@H]([C@@H]1c1cc(C)cc(C)c1)[NH+]1CCC2CC1 ZINC000020437965 431626845 /nfs/dbraw/zinc/62/68/45/431626845.db2.gz CXOWCZIOQUZVDM-OALUTQOASA-N 1 2 311.429 3.047 50 0 DGAALO c1ccc(N2CC[NH+](Cc3nc4ccccc4s3)CC2)nc1 ZINC000023763754 431640020 /nfs/dbraw/zinc/64/00/20/431640020.db2.gz USWVYBOOEILWIH-UHFFFAOYSA-N 1 2 310.426 3.014 50 0 DGAALO O=C(Cc1ccccc1F)Nc1cccc(Cn2cc[nH+]c2)c1 ZINC000025183698 431648763 /nfs/dbraw/zinc/64/87/63/431648763.db2.gz PHFQJRXFSXRAJS-UHFFFAOYSA-N 1 2 309.344 3.252 50 0 DGAALO C[C@@H](Sc1[nH+]cc2ccccn21)C(=O)NCc1cccs1 ZINC000026591798 431678010 /nfs/dbraw/zinc/67/80/10/431678010.db2.gz CHTYCWXUROUIFM-LLVKDONJSA-N 1 2 317.439 3.193 50 0 DGAALO COc1c(C)c[nH+]c(CSc2nnc(CSC)o2)c1C 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COc1ccccc1N1CC[N@@H+](Cc2cccc(C)c2)[C@@H](C)C1=O ZINC000037285252 431846287 /nfs/dbraw/zinc/84/62/87/431846287.db2.gz UOCXEDCBFFPMEM-INIZCTEOSA-N 1 2 324.424 3.241 50 0 DGAALO Cc1cccc(OCCn2c(CCCO)[nH+]c3ccccc32)c1 ZINC000037867958 431851633 /nfs/dbraw/zinc/85/16/33/431851633.db2.gz CTVPZOHMDPZXSW-UHFFFAOYSA-N 1 2 310.397 3.349 50 0 DGAALO CCOc1cc2c(cc1NCc1[nH+]ccn1CC)O[C@@H](C)C2 ZINC000089310017 431863223 /nfs/dbraw/zinc/86/32/23/431863223.db2.gz RDLKIDIBPKRONE-LBPRGKRZSA-N 1 2 301.390 3.237 50 0 DGAALO Fc1ccc(C[N@@H+]2CCO[C@H](COc3ccccc3)C2)cc1 ZINC000034670472 431819203 /nfs/dbraw/zinc/81/92/03/431819203.db2.gz CFUVMFQEPYTRJC-SFHVURJKSA-N 1 2 301.361 3.106 50 0 DGAALO Fc1ccc(C[N@H+]2CCO[C@H](COc3ccccc3)C2)cc1 ZINC000034670472 431819206 /nfs/dbraw/zinc/81/92/06/431819206.db2.gz CFUVMFQEPYTRJC-SFHVURJKSA-N 1 2 301.361 3.106 50 0 DGAALO Fc1ccc(C[N@@H+]2CCO[C@@H](COc3ccccc3)C2)cc1 ZINC000034670474 431819476 /nfs/dbraw/zinc/81/94/76/431819476.db2.gz CFUVMFQEPYTRJC-GOSISDBHSA-N 1 2 301.361 3.106 50 0 DGAALO Fc1ccc(C[N@H+]2CCO[C@@H](COc3ccccc3)C2)cc1 ZINC000034670474 431819481 /nfs/dbraw/zinc/81/94/81/431819481.db2.gz CFUVMFQEPYTRJC-GOSISDBHSA-N 1 2 301.361 3.106 50 0 DGAALO CCCCCCNC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000048146837 431920069 /nfs/dbraw/zinc/92/00/69/431920069.db2.gz MWGGGUSROACTIU-UHFFFAOYSA-N 1 2 319.449 3.221 50 0 DGAALO CC(C)c1noc([C@@H](C)N2CC[NH+](Cc3ccsc3)CC2)n1 ZINC000044585966 431874997 /nfs/dbraw/zinc/87/49/97/431874997.db2.gz MDJQHOHYQYAVGT-CYBMUJFWSA-N 1 2 320.462 3.133 50 0 DGAALO CC(C)(C)OC(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000044605594 431876015 /nfs/dbraw/zinc/87/60/15/431876015.db2.gz WKCMDNWDUUGHQM-UHFFFAOYSA-N 1 2 310.825 3.393 50 0 DGAALO O=C(NCc1cccc(-n2cc[nH+]c2)c1)N(CC1CC1)CC1CC1 ZINC000089780892 431879085 /nfs/dbraw/zinc/87/90/85/431879085.db2.gz WLDILOFFPRGFSH-UHFFFAOYSA-N 1 2 324.428 3.204 50 0 DGAALO O=C(N[C@H](Cc1[nH]cc[nH+]1)c1ccccc1)[C@H]1C[C@@H]1c1ccco1 ZINC000089826423 431881236 /nfs/dbraw/zinc/88/12/36/431881236.db2.gz 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/nfs/dbraw/zinc/97/47/09/431974709.db2.gz XSULQQZCJGZTDF-UHFFFAOYSA-N 1 2 322.767 3.030 50 0 DGAALO CCC[N@H+](Cc1ncnn1CC)Cc1ccc(SC)cc1 ZINC000055118827 431977291 /nfs/dbraw/zinc/97/72/91/431977291.db2.gz FTRSQHFJJMKDSC-UHFFFAOYSA-N 1 2 304.463 3.432 50 0 DGAALO CCC[N@@H+](Cc1ncnn1CC)Cc1ccc(SC)cc1 ZINC000055118827 431977292 /nfs/dbraw/zinc/97/72/92/431977292.db2.gz FTRSQHFJJMKDSC-UHFFFAOYSA-N 1 2 304.463 3.432 50 0 DGAALO CC[NH+]1CCN(C(=O)c2cc3c(ccc4ccccc34)o2)CC1 ZINC000098087170 431977437 /nfs/dbraw/zinc/97/74/37/431977437.db2.gz JPLYDKHTWLLWIF-UHFFFAOYSA-N 1 2 308.381 3.364 50 0 DGAALO CC(C)Oc1ccccc1[C@@H](C)[NH2+][C@H](C(N)=O)c1ccccc1 ZINC000055151835 431977712 /nfs/dbraw/zinc/97/77/12/431977712.db2.gz DKNVHNJZMPUFQB-KDOFPFPSSA-N 1 2 312.413 3.351 50 0 DGAALO CC1(C)C[C@@H]1C(=O)N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000095987009 431931591 /nfs/dbraw/zinc/93/15/91/431931591.db2.gz MPLNHARZVYAOFJ-MRXNPFEDSA-N 1 2 323.440 3.057 50 0 DGAALO Cc1[nH+]c2ccccc2n1CCOc1nnc(-c2ccccc2)o1 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431995872 /nfs/dbraw/zinc/99/58/72/431995872.db2.gz DGXMVLZMASSPIY-SJLPKXTDSA-N 1 2 321.424 3.102 50 0 DGAALO Cc1nc(NC(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)sc1C ZINC000058246546 431995960 /nfs/dbraw/zinc/99/59/60/431995960.db2.gz QDZHKKBFUJOEBC-ZDUSSCGKSA-N 1 2 316.430 3.010 50 0 DGAALO Cc1cc(NC(=O)c2cn(C)cn2)ccc1Oc1cc[nH+]cc1 ZINC000192588106 432389905 /nfs/dbraw/zinc/38/99/05/432389905.db2.gz IAFQMNDAZZFOTM-UHFFFAOYSA-N 1 2 308.341 3.168 50 0 DGAALO c1csc(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)n1 ZINC000253420840 432391843 /nfs/dbraw/zinc/39/18/43/432391843.db2.gz VMVDLWAEUQQJIL-ZDUSSCGKSA-N 1 2 302.399 3.251 50 0 DGAALO c1csc(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)n1 ZINC000253420840 432391847 /nfs/dbraw/zinc/39/18/47/432391847.db2.gz VMVDLWAEUQQJIL-ZDUSSCGKSA-N 1 2 302.399 3.251 50 0 DGAALO CCCC[N@H+](Cc1cc(Cl)cs1)[C@H]1CCS(=O)(=O)C1 ZINC000194307094 432539471 /nfs/dbraw/zinc/53/94/71/432539471.db2.gz MIPGEPYLBGVMDV-LBPRGKRZSA-N 1 2 321.895 3.191 50 0 DGAALO CCCC[N@@H+](Cc1cc(Cl)cs1)[C@H]1CCS(=O)(=O)C1 ZINC000194307094 432539474 /nfs/dbraw/zinc/53/94/74/432539474.db2.gz MIPGEPYLBGVMDV-LBPRGKRZSA-N 1 2 321.895 3.191 50 0 DGAALO COc1cc(Cl)cc(C[N@H+](C)[C@@H](C)c2ccncn2)c1OC ZINC000215957262 432647658 /nfs/dbraw/zinc/64/76/58/432647658.db2.gz PQFQLIRNFFIWNI-NSHDSACASA-N 1 2 321.808 3.340 50 0 DGAALO COc1cc(Cl)cc(C[N@@H+](C)[C@@H](C)c2ccncn2)c1OC ZINC000215957262 432647662 /nfs/dbraw/zinc/64/76/62/432647662.db2.gz PQFQLIRNFFIWNI-NSHDSACASA-N 1 2 321.808 3.340 50 0 DGAALO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1scnc1C1CC1 ZINC000195546683 432626469 /nfs/dbraw/zinc/62/64/69/432626469.db2.gz CPYYQNFVOZOVDL-LBPRGKRZSA-N 1 2 318.446 3.062 50 0 DGAALO CC(C)n1ccnc1C[N@H+](C)Cc1ccc2nsnc2c1 ZINC000216095718 432647593 /nfs/dbraw/zinc/64/75/93/432647593.db2.gz GDLFGDJJTJSMAJ-UHFFFAOYSA-N 1 2 301.419 3.101 50 0 DGAALO CC(C)n1ccnc1C[N@@H+](C)Cc1ccc2nsnc2c1 ZINC000216095718 432647598 /nfs/dbraw/zinc/64/75/98/432647598.db2.gz GDLFGDJJTJSMAJ-UHFFFAOYSA-N 1 2 301.419 3.101 50 0 DGAALO Cn1cc[nH+]c1CNC(=O)c1cccc(-c2ccccc2F)c1 ZINC000216395275 432649698 /nfs/dbraw/zinc/64/96/98/432649698.db2.gz SOPRUSGYWFNJSX-UHFFFAOYSA-N 1 2 309.344 3.156 50 0 DGAALO CC(=O)c1cc(C[N@@H+](C)Cc2ccc3nonc3c2)cs1 ZINC000216312886 432650754 /nfs/dbraw/zinc/65/07/54/432650754.db2.gz JRHRZBUFKZUNDC-UHFFFAOYSA-N 1 2 301.371 3.119 50 0 DGAALO CC(=O)c1cc(C[N@H+](C)Cc2ccc3nonc3c2)cs1 ZINC000216312886 432650759 /nfs/dbraw/zinc/65/07/59/432650759.db2.gz JRHRZBUFKZUNDC-UHFFFAOYSA-N 1 2 301.371 3.119 50 0 DGAALO CC(C)[C@@H](NC(=O)c1csc2c1CCCC2)c1[nH+]ccn1C ZINC000218982080 432659883 /nfs/dbraw/zinc/65/98/83/432659883.db2.gz OFDZIPYKIQPDGP-OAHLLOKOSA-N 1 2 317.458 3.488 50 0 DGAALO Cc1[nH]c2ccc(CNC(=O)Cn3ccc4ccccc43)cc2[nH+]1 ZINC000219744152 432664090 /nfs/dbraw/zinc/66/40/90/432664090.db2.gz PIUQMJGBIGAHIQ-UHFFFAOYSA-N 1 2 318.380 3.142 50 0 DGAALO Cc1[nH]c2cc(CNC(=O)Cn3ccc4ccccc43)ccc2[nH+]1 ZINC000219744152 432664095 /nfs/dbraw/zinc/66/40/95/432664095.db2.gz 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Cc1nc(C(F)(F)F)ncc1C[N@@H+]1CCOc2ccccc2C1 ZINC000670473474 547759207 /nfs/dbraw/zinc/75/92/07/547759207.db2.gz LSUVRBLCAKIFFU-UHFFFAOYSA-N 1 2 323.318 3.198 50 0 DGAALO Cc1nc(C(F)(F)F)ncc1C[N@H+]1CCOc2ccccc2C1 ZINC000670473474 547759209 /nfs/dbraw/zinc/75/92/09/547759209.db2.gz LSUVRBLCAKIFFU-UHFFFAOYSA-N 1 2 323.318 3.198 50 0 DGAALO Cc1ccc(C)c(NC(=O)N(C)CCCc2[nH+]ccn2C)c1 ZINC000299760703 563805009 /nfs/dbraw/zinc/80/50/09/563805009.db2.gz WVWJMZHVRQBDPV-UHFFFAOYSA-N 1 2 300.406 3.133 50 0 DGAALO O=C(c1ccc(Cl)s1)N1CCC[C@H](Oc2cc[nH+]cc2)C1 ZINC000575604638 563864582 /nfs/dbraw/zinc/86/45/82/563864582.db2.gz BKBNKHHRCMBSOW-LBPRGKRZSA-N 1 2 322.817 3.480 50 0 DGAALO CC(C)(C)OC(=O)CC[C@H]1CCCC[N@@H+]1Cc1csnn1 ZINC000585088812 576000838 /nfs/dbraw/zinc/00/08/38/576000838.db2.gz NSNCBHKEOXDMSK-CYBMUJFWSA-N 1 2 311.451 3.015 50 0 DGAALO CC(C)(C)OC(=O)CC[C@H]1CCCC[N@H+]1Cc1csnn1 ZINC000585088812 576000840 /nfs/dbraw/zinc/00/08/40/576000840.db2.gz NSNCBHKEOXDMSK-CYBMUJFWSA-N 1 2 311.451 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ZINC000013737038 431567687 /nfs/dbraw/zinc/56/76/87/431567687.db2.gz YSHLNZOZSVLZKL-KRWDZBQOSA-N 1 2 323.440 3.144 50 0 DGAALO Cc1ccc(N2CC[N@H+](CC(=O)Nc3ccccc3)C[C@@H]2C)cc1 ZINC000013737038 431567692 /nfs/dbraw/zinc/56/76/92/431567692.db2.gz YSHLNZOZSVLZKL-KRWDZBQOSA-N 1 2 323.440 3.144 50 0 DGAALO C[C@@H]1C[N@H+](Cc2cc(Cl)c3c(c2)OCCCO3)[C@@H](C)CO1 ZINC000027644778 288210182 /nfs/dbraw/zinc/21/01/82/288210182.db2.gz XJMWICSUMGZPBP-NWDGAFQWSA-N 1 2 311.809 3.111 50 0 DGAALO C[C@@H]1C[N@@H+](Cc2cc(Cl)c3c(c2)OCCCO3)[C@@H](C)CO1 ZINC000027644778 288210184 /nfs/dbraw/zinc/21/01/84/288210184.db2.gz XJMWICSUMGZPBP-NWDGAFQWSA-N 1 2 311.809 3.111 50 0 DGAALO CC[C@H]1c2cccn2CC[N@H+]1Cc1cnc(SC)n1CC ZINC000013995718 431575642 /nfs/dbraw/zinc/57/56/42/431575642.db2.gz KVQHELNCKHVZKM-AWEZNQCLSA-N 1 2 304.463 3.393 50 0 DGAALO CC[C@H]1c2cccn2CC[N@@H+]1Cc1cnc(SC)n1CC ZINC000013995718 431575649 /nfs/dbraw/zinc/57/56/49/431575649.db2.gz KVQHELNCKHVZKM-AWEZNQCLSA-N 1 2 304.463 3.393 50 0 DGAALO COc1ccc(NC(=O)CSc2[nH+]cc3ccccn32)cc1 ZINC000014095024 431579396 /nfs/dbraw/zinc/57/93/96/431579396.db2.gz NEDYVNHQNLSDOC-UHFFFAOYSA-N 1 2 313.382 3.074 50 0 DGAALO c1cn(C[C@@H]2CCCN(c3nccc(C4CCCC4)n3)C2)c[nH+]1 ZINC000077407262 431592587 /nfs/dbraw/zinc/59/25/87/431592587.db2.gz GGFRWZADNTUHEX-HNNXBMFYSA-N 1 2 311.433 3.247 50 0 DGAALO CCCCC12CN3CC(C)(C[N@H+](C1)C3c1cccc(C)c1)C2=O ZINC000019320124 431618326 /nfs/dbraw/zinc/61/83/26/431618326.db2.gz CQZWKSGLHNUDFT-UHFFFAOYSA-N 1 2 312.457 3.390 50 0 biogenic DGAALO CCCCC12CN3CC(C)(C[N@@H+](C1)C3c1cccc(C)c1)C2=O ZINC000019320124 431618332 /nfs/dbraw/zinc/61/83/32/431618332.db2.gz CQZWKSGLHNUDFT-UHFFFAOYSA-N 1 2 312.457 3.390 50 0 biogenic DGAALO Cn1ccnc1[C@H]([NH2+]Cc1ccsc1)c1ccc(F)cc1 ZINC000030645081 431741595 /nfs/dbraw/zinc/74/15/95/431741595.db2.gz CHBHKOMVGGFDDK-OAHLLOKOSA-N 1 2 301.390 3.500 50 0 DGAALO C[C@@H](NC(=O)NCc1ccc(N2CCCC2)[nH+]c1)c1ccccc1 ZINC000029328068 431718727 /nfs/dbraw/zinc/71/87/27/431718727.db2.gz 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/nfs/dbraw/zinc/80/64/33/431806433.db2.gz GUVDVWYJYSESAW-AWEZNQCLSA-N 1 2 314.433 3.004 50 0 DGAALO CCCCNC(=O)[C@H]1CCCN(c2[nH]c3cc(C)ccc3[nH+]2)C1 ZINC000033072095 431806438 /nfs/dbraw/zinc/80/64/38/431806438.db2.gz GUVDVWYJYSESAW-AWEZNQCLSA-N 1 2 314.433 3.004 50 0 DGAALO COc1ccc(C[N@@H+]2CCN(c3ccccc3C)C(=O)[C@H]2C)cc1 ZINC000037519549 431847741 /nfs/dbraw/zinc/84/77/41/431847741.db2.gz JBKALHLWMQXOBC-MRXNPFEDSA-N 1 2 324.424 3.241 50 0 DGAALO COc1ccc(C[N@H+]2CCN(c3ccccc3C)C(=O)[C@H]2C)cc1 ZINC000037519549 431847743 /nfs/dbraw/zinc/84/77/43/431847743.db2.gz JBKALHLWMQXOBC-MRXNPFEDSA-N 1 2 324.424 3.241 50 0 DGAALO CCc1nc2c(s1)[C@H]([N@H+](C)Cc1nc(C3CC3)no1)CCC2 ZINC000089295777 431862806 /nfs/dbraw/zinc/86/28/06/431862806.db2.gz SRRUWRRMDZWCLV-GFCCVEGCSA-N 1 2 318.446 3.475 50 0 DGAALO CCc1nc2c(s1)[C@H]([N@@H+](C)Cc1nc(C3CC3)no1)CCC2 ZINC000089295777 431862807 /nfs/dbraw/zinc/86/28/07/431862807.db2.gz SRRUWRRMDZWCLV-GFCCVEGCSA-N 1 2 318.446 3.475 50 0 DGAALO Cc1nc([C@@H]2CCC[N@@H+]2CCCc2nc3ccccc3o2)no1 ZINC000084280964 431821837 /nfs/dbraw/zinc/82/18/37/431821837.db2.gz XQSXLFGYXNTERZ-AWEZNQCLSA-N 1 2 312.373 3.289 50 0 DGAALO Cc1nc([C@@H]2CCC[N@H+]2CCCc2nc3ccccc3o2)no1 ZINC000084280964 431821842 /nfs/dbraw/zinc/82/18/42/431821842.db2.gz XQSXLFGYXNTERZ-AWEZNQCLSA-N 1 2 312.373 3.289 50 0 DGAALO CC(=O)c1c(C)[nH]c(C(=O)C[N@@H+]2CCc3ccccc3C2)c1C ZINC000034879014 431822375 /nfs/dbraw/zinc/82/23/75/431822375.db2.gz VNHGEHIVLHNRHC-UHFFFAOYSA-N 1 2 310.397 3.075 50 0 DGAALO CC(=O)c1c(C)[nH]c(C(=O)C[N@H+]2CCc3ccccc3C2)c1C ZINC000034879014 431822377 /nfs/dbraw/zinc/82/23/77/431822377.db2.gz VNHGEHIVLHNRHC-UHFFFAOYSA-N 1 2 310.397 3.075 50 0 DGAALO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)NC1CCCCC1 ZINC000047579217 431912672 /nfs/dbraw/zinc/91/26/72/431912672.db2.gz ZWFMGSXCOMFSLM-UHFFFAOYSA-N 1 2 312.417 3.063 50 0 DGAALO CCCCn1nnnc1C[N@H+](Cc1ccco1)C1CCCC1 ZINC000048286894 431922589 /nfs/dbraw/zinc/92/25/89/431922589.db2.gz LGLZDJWHHXBWQO-UHFFFAOYSA-N 1 2 303.410 3.011 50 0 DGAALO CCCCn1nnnc1C[N@@H+](Cc1ccco1)C1CCCC1 ZINC000048286894 431922591 /nfs/dbraw/zinc/92/25/91/431922591.db2.gz LGLZDJWHHXBWQO-UHFFFAOYSA-N 1 2 303.410 3.011 50 0 DGAALO CC(C)(C)c1cnc(C[NH+](C[C@@H]2CCCO2)C[C@@H]2CCCO2)o1 ZINC000048311047 431923246 /nfs/dbraw/zinc/92/32/46/431923246.db2.gz MJBUCTVODZVMNX-GJZGRUSLSA-N 1 2 322.449 3.132 50 0 DGAALO O=C(NCCC1=CCCCC1)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000048333384 431923623 /nfs/dbraw/zinc/92/36/23/431923623.db2.gz YOIRVVPIAWTASB-UHFFFAOYSA-N 1 2 311.389 3.279 50 0 DGAALO COc1ccccc1[C@@H](NC(=O)CC(C)(C)C)c1[nH+]ccn1C ZINC000048332382 431923641 /nfs/dbraw/zinc/92/36/41/431923641.db2.gz VWHTVPQDFFJYRP-MRXNPFEDSA-N 1 2 315.417 3.071 50 0 DGAALO CC(C)c1noc(CN2CCC[C@@H](c3[nH+]ccn3C(C)C)C2)n1 ZINC000095371217 431923864 /nfs/dbraw/zinc/92/38/64/431923864.db2.gz RFVNRJLWCIIAIZ-CQSZACIVSA-N 1 2 317.437 3.350 50 0 DGAALO O=C(NCc1ccc(N2CCCCC2)[nH+]c1)c1ccsc1 ZINC000048332410 431923909 /nfs/dbraw/zinc/92/39/09/431923909.db2.gz 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/nfs/dbraw/zinc/88/30/84/431883084.db2.gz LJYXETJAIZFXHF-UHFFFAOYSA-N 1 2 306.369 3.027 50 0 DGAALO C[C@@H](c1nc(-c2cccnc2)no1)[N@@H+]1CCc2cc(F)ccc2C1 ZINC000091898560 431906569 /nfs/dbraw/zinc/90/65/69/431906569.db2.gz XMWIPWLJQNJALS-LBPRGKRZSA-N 1 2 324.359 3.390 50 0 DGAALO C[C@@H](c1nc(-c2cccnc2)no1)[N@H+]1CCc2cc(F)ccc2C1 ZINC000091898560 431906571 /nfs/dbraw/zinc/90/65/71/431906571.db2.gz XMWIPWLJQNJALS-LBPRGKRZSA-N 1 2 324.359 3.390 50 0 DGAALO C[N@H+](Cc1ccc([C@@H]2CCCCO2)o1)Cc1[nH]nc2c1CCC2 ZINC000097823220 431975581 /nfs/dbraw/zinc/97/55/81/431975581.db2.gz QTZFNZPDPAYZRU-KRWDZBQOSA-N 1 2 315.417 3.365 50 0 DGAALO C[N@@H+](Cc1ccc([C@@H]2CCCCO2)o1)Cc1[nH]nc2c1CCC2 ZINC000097823220 431975583 /nfs/dbraw/zinc/97/55/83/431975583.db2.gz QTZFNZPDPAYZRU-KRWDZBQOSA-N 1 2 315.417 3.365 50 0 DGAALO COCC[N@H+](Cc1cc(C(C)(C)C)n[nH]1)Cc1ccccc1F ZINC000055119662 431977088 /nfs/dbraw/zinc/97/70/88/431977088.db2.gz QKSKYXXYRMQRFY-UHFFFAOYSA-N 1 2 319.424 3.495 50 0 DGAALO 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/nfs/dbraw/zinc/85/13/18/545851318.db2.gz FLFFKZBDAVUTQX-UHFFFAOYSA-N 1 2 321.306 3.243 50 0 DGAALO Cc1nscc1C(=O)OCc1ccc(-n2cc[nH+]c2)cc1C ZINC000170611713 546100852 /nfs/dbraw/zinc/10/08/52/546100852.db2.gz FTGVWUDJRKBQHK-UHFFFAOYSA-N 1 2 313.382 3.303 50 0 DGAALO Cc1cc(C[N@@H+](C)Cc2cnc(NCc3ccccc3)nc2)on1 ZINC000215542098 546261347 /nfs/dbraw/zinc/26/13/47/546261347.db2.gz FZTCCBJIHSFBOH-UHFFFAOYSA-N 1 2 323.400 3.017 50 0 DGAALO Cc1cc(C[N@H+](C)Cc2cnc(NCc3ccccc3)nc2)on1 ZINC000215542098 546261353 /nfs/dbraw/zinc/26/13/53/546261353.db2.gz FZTCCBJIHSFBOH-UHFFFAOYSA-N 1 2 323.400 3.017 50 0 DGAALO Nc1[nH+]cnc(N2C[C@H](c3ccccc3)C3(CCC3)C2)c1Cl ZINC000334122556 546516250 /nfs/dbraw/zinc/51/62/50/546516250.db2.gz MNOGISJDLPCXLC-CYBMUJFWSA-N 1 2 314.820 3.486 50 0 DGAALO Nc1nc[nH+]c(N2C[C@H](c3ccccc3)C3(CCC3)C2)c1Cl ZINC000334122556 546516254 /nfs/dbraw/zinc/51/62/54/546516254.db2.gz MNOGISJDLPCXLC-CYBMUJFWSA-N 1 2 314.820 3.486 50 0 DGAALO O=C(c1ccc(Cl)cc1)N1CCC[C@@H](Oc2cc[nH+]cc2)C1 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DGAALO Fc1ccc(-c2[nH]nc3c2C[N@@H+]([C@@H]2CCSC2)CC3)cc1F ZINC000045962882 1092708995 /nfs/dbraw/zinc/70/89/95/1092708995.db2.gz JQTGCEZGSPNFSX-LLVKDONJSA-N 1 2 321.396 3.219 50 0 DGAALO Fc1ccc(-c2[nH]nc3c2C[N@H+]([C@@H]2CCSC2)CC3)cc1F ZINC000045962882 1092709003 /nfs/dbraw/zinc/70/90/03/1092709003.db2.gz JQTGCEZGSPNFSX-LLVKDONJSA-N 1 2 321.396 3.219 50 0 DGAALO O[C@@H](Cc1ccccc1)C1CCN(c2cc[nH+]cc2F)CC1 ZINC000095502413 185374940 /nfs/dbraw/zinc/37/49/40/185374940.db2.gz NYWBLFJYAGSXTO-SFHVURJKSA-N 1 2 300.377 3.041 50 0 DGAALO Cc1cccn2cc(CS(=O)(=O)c3cccc(Cl)c3)[nH+]c12 ZINC000078978752 185138955 /nfs/dbraw/zinc/13/89/55/185138955.db2.gz UJTUKPIIDZEOMO-UHFFFAOYSA-N 1 2 320.801 3.270 50 0 DGAALO Cc1cc(NCc2cn3c(cccc3C)[nH+]2)ccc1C(=O)N(C)C ZINC000078987688 185140838 /nfs/dbraw/zinc/14/08/38/185140838.db2.gz JPHQHLMSIFGUTE-UHFFFAOYSA-N 1 2 322.412 3.265 50 0 DGAALO CC(C)OCCCNC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000079034119 185147873 /nfs/dbraw/zinc/14/78/73/185147873.db2.gz WHAPRZPCINBTMG-UHFFFAOYSA-N 1 2 314.385 3.419 50 0 DGAALO O=C(Cn1cc[nH+]c1)N[C@H](c1ccccc1F)C1CCCC1 ZINC000088349074 185246676 /nfs/dbraw/zinc/24/66/76/185246676.db2.gz XGIWLPRRQUIUIC-KRWDZBQOSA-N 1 2 301.365 3.070 50 0 DGAALO O=C(c1cccs1)N1CCC(c2[nH+]ccn2CC2CC2)CC1 ZINC000082114605 192358232 /nfs/dbraw/zinc/35/82/32/192358232.db2.gz RVQUZNRSQQQRSH-UHFFFAOYSA-N 1 2 315.442 3.374 50 0 DGAALO Oc1ccc(-c2nccn2-c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000082125881 192359901 /nfs/dbraw/zinc/35/99/01/192359901.db2.gz NEQJDWCQUPDHEA-UHFFFAOYSA-N 1 2 302.337 3.431 50 0 DGAALO CCN(CC)c1ncc(CN2CCCC[C@@H]2c2[nH]cc[nH+]2)s1 ZINC000092728357 185336787 /nfs/dbraw/zinc/33/67/87/185336787.db2.gz KSKZUECSRLLFSM-CQSZACIVSA-N 1 2 319.478 3.440 50 0 DGAALO CC(C)OCCOC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000095401039 185354440 /nfs/dbraw/zinc/35/44/40/185354440.db2.gz LKEFULSCAPNEOC-QGZVFWFLSA-N 1 2 305.418 3.009 50 0 DGAALO CC(C)OCCOC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000095401039 185354441 /nfs/dbraw/zinc/35/44/41/185354441.db2.gz LKEFULSCAPNEOC-QGZVFWFLSA-N 1 2 305.418 3.009 50 0 DGAALO Cn1cc[nH+]c1C[S@](=O)Cc1c(Cl)cccc1Cl ZINC000095412177 185357638 /nfs/dbraw/zinc/35/76/38/185357638.db2.gz DUZXWDAORVOCGD-SFHVURJKSA-N 1 2 303.214 3.176 50 0 DGAALO CCOCCC1(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCCC1 ZINC000095418450 185359451 /nfs/dbraw/zinc/35/94/51/185359451.db2.gz IZLFBVFWSUDGMX-OAHLLOKOSA-N 1 2 319.449 3.103 50 0 DGAALO Cn1cc[nH+]c1CNc1ccc(-n2nccc2C(F)(F)F)cc1 ZINC000095428821 185362471 /nfs/dbraw/zinc/36/24/71/185362471.db2.gz BZPKKBQENNLDNC-UHFFFAOYSA-N 1 2 321.306 3.237 50 0 DGAALO Cc1cc(N(Cc2ccccc2)C[C@@H](O)c2ccco2)nc[nH+]1 ZINC000095430796 185363104 /nfs/dbraw/zinc/36/31/04/185363104.db2.gz RHHWUXWPDVPDSU-MRXNPFEDSA-N 1 2 309.369 3.118 50 0 DGAALO CC(C)CC[C@H]1CCCCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000095431905 185363552 /nfs/dbraw/zinc/36/35/52/185363552.db2.gz HLFHVKUQLRNXRK-HZPDHXFCSA-N 1 2 303.450 3.263 50 0 DGAALO CC(C)(C)Oc1cc[nH+]cc1NCc1cc(C(N)=O)cs1 ZINC000095436191 185365024 /nfs/dbraw/zinc/36/50/24/185365024.db2.gz RVNJMCAAXXLJLV-UHFFFAOYSA-N 1 2 305.403 3.031 50 0 DGAALO OCC1CCN(c2ccc(NC/C=C/c3ccco3)[nH+]c2)CC1 ZINC000095447402 185367791 /nfs/dbraw/zinc/36/77/91/185367791.db2.gz FYKRTUNLNTVIOS-HNQUOIGGSA-N 1 2 313.401 3.009 50 0 DGAALO Cc1nc(C)c(C[S@](=O)Cc2cn3cccc(C)c3[nH+]2)s1 ZINC000083953291 192391657 /nfs/dbraw/zinc/39/16/57/192391657.db2.gz YHIOOYQOLZATNE-NRFANRHFSA-N 1 2 319.455 3.165 50 0 DGAALO CCc1ccc(C[N@@H+]2CCO[C@H](Cc3cccc(F)c3)C2)nc1 ZINC000071735733 191018528 /nfs/dbraw/zinc/01/85/28/191018528.db2.gz HCZKJTVETFRFPX-LJQANCHMSA-N 1 2 314.404 3.227 50 0 DGAALO CCc1ccc(C[N@H+]2CCO[C@H](Cc3cccc(F)c3)C2)nc1 ZINC000071735733 191018531 /nfs/dbraw/zinc/01/85/31/191018531.db2.gz HCZKJTVETFRFPX-LJQANCHMSA-N 1 2 314.404 3.227 50 0 DGAALO COc1ccccc1OC1CC[NH+](Cc2coc(C)n2)CC1 ZINC000072150384 191056183 /nfs/dbraw/zinc/05/61/83/191056183.db2.gz FCEPUZDOTNDCNM-UHFFFAOYSA-N 1 2 302.374 3.035 50 0 DGAALO Nc1cccc(-c2cc(NCc3cccnc3)nc3[nH]ccc32)[nH+]1 ZINC000072153281 191058140 /nfs/dbraw/zinc/05/81/40/191058140.db2.gz WOKFHNFXASIFDP-UHFFFAOYSA-N 1 2 316.368 3.214 50 0 DGAALO COc1cccc(-n2cc(C[N@H+](C)Cc3cccc(C)n3)cn2)c1 ZINC000072158944 191061847 /nfs/dbraw/zinc/06/18/47/191061847.db2.gz FGVZGZIDYHPLFI-UHFFFAOYSA-N 1 2 322.412 3.216 50 0 DGAALO COc1cccc(-n2cc(C[N@@H+](C)Cc3cccc(C)n3)cn2)c1 ZINC000072158944 191061849 /nfs/dbraw/zinc/06/18/49/191061849.db2.gz FGVZGZIDYHPLFI-UHFFFAOYSA-N 1 2 322.412 3.216 50 0 DGAALO Nc1cc(-c2ccc(OCCn3cc[nH+]c3)cc2)c2cc[nH]c2n1 ZINC000072160904 191062747 /nfs/dbraw/zinc/06/27/47/191062747.db2.gz OAISWVGKQNGIEW-UHFFFAOYSA-N 1 2 319.368 3.088 50 0 DGAALO Cn1nnc(C[NH2+][C@H](CC(C)(C)C)c2ccc(Cl)cc2)n1 ZINC000194289386 186277416 /nfs/dbraw/zinc/27/74/16/186277416.db2.gz YHTQWZWJBXDHEJ-CYBMUJFWSA-N 1 2 307.829 3.131 50 0 DGAALO O=C(NC[C@@H]1CCCN1c1cccc[nH+]1)c1cccc(Cl)c1 ZINC000225630397 186284760 /nfs/dbraw/zinc/28/47/60/186284760.db2.gz KRHMORRUOZRRNU-HNNXBMFYSA-N 1 2 315.804 3.134 50 0 DGAALO CCc1nc(C2([NH2+]C[C@@H](OC)c3ccccc3)CCCC2)no1 ZINC000253393244 186303620 /nfs/dbraw/zinc/30/36/20/186303620.db2.gz XDVDIHSUZOOEIZ-OAHLLOKOSA-N 1 2 315.417 3.379 50 0 DGAALO C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)c1ccc2[nH+]ccn2c1 ZINC000172091767 198037687 /nfs/dbraw/zinc/03/76/87/198037687.db2.gz NRPHNJQAUZNPGF-RHSMWYFYSA-N 1 2 305.381 3.353 50 0 DGAALO Cc1cc(C[NH+]2CCN(CCOc3ccccc3)CC2)oc1C ZINC000072410809 191153720 /nfs/dbraw/zinc/15/37/20/191153720.db2.gz ITIVANZIIHPXJO-UHFFFAOYSA-N 1 2 314.429 3.093 50 0 DGAALO Cc1ccccc1-c1noc(C[NH2+]Cc2ccc3c(c2)OCO3)n1 ZINC000067743170 432037050 /nfs/dbraw/zinc/03/70/50/432037050.db2.gz IOJAQLGDHPPKIM-UHFFFAOYSA-N 1 2 323.352 3.064 50 0 DGAALO COc1cc2ncnc(Nc3ccc([NH+](C)C)cc3)c2cc1OC ZINC000004342385 181100303 /nfs/dbraw/zinc/10/03/03/181100303.db2.gz BUSRVSDLBRSEPD-UHFFFAOYSA-N 1 2 324.384 3.457 50 0 DGAALO COCCOc1cccc(-n2cc[nH+]c2-c2ccc(O)cc2)c1 ZINC000067820518 432041911 /nfs/dbraw/zinc/04/19/11/432041911.db2.gz XUSNSIKEGJRMME-UHFFFAOYSA-N 1 2 310.353 3.270 50 0 DGAALO C/C(=C\c1ccco1)C[NH+]1CCN(c2ccncc2F)CC1 ZINC000067909276 432045290 /nfs/dbraw/zinc/04/52/90/432045290.db2.gz NGSYIWXYHNFVSN-SDNWHVSQSA-N 1 2 301.365 3.039 50 0 DGAALO Cc1ccc(NC(=O)C[NH+]2CCCCC2)c(Br)c1 ZINC000004993499 181186612 /nfs/dbraw/zinc/18/66/12/181186612.db2.gz LUQPKDHQYMSHBG-UHFFFAOYSA-N 1 2 311.223 3.182 50 0 DGAALO c1cn(CCCn2cc[nH+]c2)c(-c2cc(-c3ccccc3)no2)n1 ZINC000067955100 432047381 /nfs/dbraw/zinc/04/73/81/432047381.db2.gz NMNHSRAAQPZYIP-UHFFFAOYSA-N 1 2 319.368 3.492 50 0 DGAALO CN(Cc1ccccc1)c1[nH+]cccc1CNc1ncc(F)cn1 ZINC000067956391 432047720 /nfs/dbraw/zinc/04/77/20/432047720.db2.gz GLKSSKRTZWMJCS-UHFFFAOYSA-N 1 2 323.375 3.259 50 0 DGAALO O=C(NCCc1cc2ccccc2o1)c1ccc2[nH+]ccn2c1 ZINC000170635393 432074295 /nfs/dbraw/zinc/07/42/95/432074295.db2.gz RGCTVWZDBHNBRI-UHFFFAOYSA-N 1 2 305.337 3.053 50 0 DGAALO Cc1ncsc1C[NH2+][C@H](C)c1nc(Cc2ccccc2)no1 ZINC000237373949 202246489 /nfs/dbraw/zinc/24/64/89/202246489.db2.gz QYKBFOMBERKNPM-GFCCVEGCSA-N 1 2 314.414 3.276 50 0 DGAALO CC(C)(C)n1cc(C[NH2+][C@H](c2ccccc2)c2cccnc2)nn1 ZINC000190947828 200607744 /nfs/dbraw/zinc/60/77/44/200607744.db2.gz TZVRVSXXCGZWBT-GOSISDBHSA-N 1 2 321.428 3.307 50 0 DGAALO CCn1cc(CN(C)Cc2c[nH+]cn2C2CCCCC2)cn1 ZINC000244723621 202490930 /nfs/dbraw/zinc/49/09/30/202490930.db2.gz MEQDWMQSSNYNAV-UHFFFAOYSA-N 1 2 301.438 3.237 50 0 DGAALO Cc1cncc(C[N@@H+]2CCO[C@H](c3ccc(F)c(F)c3)C2)c1 ZINC000189864081 432098829 /nfs/dbraw/zinc/09/88/29/432098829.db2.gz MMLNDXMONFIADO-KRWDZBQOSA-N 1 2 304.340 3.242 50 0 DGAALO Cc1cncc(C[N@H+]2CCO[C@H](c3ccc(F)c(F)c3)C2)c1 ZINC000189864081 432098832 /nfs/dbraw/zinc/09/88/32/432098832.db2.gz MMLNDXMONFIADO-KRWDZBQOSA-N 1 2 304.340 3.242 50 0 DGAALO Cc1nc(-c2ccncc2)ncc1[C@H](C)Nc1nc[nH+]c(C)c1C ZINC000091574541 193074370 /nfs/dbraw/zinc/07/43/70/193074370.db2.gz RBLPNBPZOBYGIB-ZDUSSCGKSA-N 1 2 320.400 3.427 50 0 DGAALO 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Cn1ncc2c1nc[nH+]c2N[C@H]1c2ccccc2CCC1(C)C ZINC000089919508 303062648 /nfs/dbraw/zinc/06/26/48/303062648.db2.gz BOMUVIYWMWSYQH-HNNXBMFYSA-N 1 2 307.401 3.489 50 0 DGAALO Cc1nc(C(C)C)oc1C(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000328925019 534877251 /nfs/dbraw/zinc/87/72/51/534877251.db2.gz NYIKFOLFGZHXMF-GXTWGEPZSA-N 1 2 316.405 3.026 50 0 DGAALO Cc1cc(NCCc2nnc3ccccn32)[nH+]c2ccccc12 ZINC000078435213 545748830 /nfs/dbraw/zinc/74/88/30/545748830.db2.gz ZQRGNLNHGFHTKH-UHFFFAOYSA-N 1 2 303.369 3.241 50 0 DGAALO Cc1cc([C@@H]2CCC[N@H+](Cc3nc4c(cccc4F)[nH]3)C2)[nH]n1 ZINC000084111286 545784495 /nfs/dbraw/zinc/78/44/95/545784495.db2.gz CCACLMQJCDAJOW-GFCCVEGCSA-N 1 2 313.380 3.113 50 0 DGAALO Cc1cc([C@@H]2CCC[N@@H+](Cc3nc4c(cccc4F)[nH]3)C2)[nH]n1 ZINC000084111286 545784500 /nfs/dbraw/zinc/78/45/00/545784500.db2.gz CCACLMQJCDAJOW-GFCCVEGCSA-N 1 2 313.380 3.113 50 0 DGAALO Cc1cc([C@@H]2CCC[N@H+](Cc3nc4c(cccc4F)[nH]3)C2)n[nH]1 ZINC000084111286 545784505 /nfs/dbraw/zinc/78/45/05/545784505.db2.gz 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Cc1oc2nc(C[N@H+]3Cc4ccccc4C[C@@H]3C)nc(N)c2c1C ZINC000178021501 655952749 /nfs/dbraw/zinc/95/27/49/655952749.db2.gz CZFSFEVCFGECHJ-NSHDSACASA-N 1 2 322.412 3.369 50 0 DGAALO Cc1oc2nc(C[N@@H+]3Cc4ccccc4C[C@@H]3C)nc(N)c2c1C ZINC000178021501 655952750 /nfs/dbraw/zinc/95/27/50/655952750.db2.gz CZFSFEVCFGECHJ-NSHDSACASA-N 1 2 322.412 3.369 50 0 DGAALO CN(CCCc1[nH+]ccn1C)C(=O)Nc1cccc(Cl)c1F ZINC000095521215 657465128 /nfs/dbraw/zinc/46/51/28/657465128.db2.gz UEOPXUPEJCYVOR-UHFFFAOYSA-N 1 2 324.787 3.309 50 0 DGAALO CC(=O)N1CCC(Cc2ccc(COc3cc[nH+]cc3)cc2)CC1 ZINC000581810171 1092281591 /nfs/dbraw/zinc/28/15/91/1092281591.db2.gz DEMHSVHHTFLYRN-UHFFFAOYSA-N 1 2 324.424 3.462 50 0 DGAALO C[C@@H](CC(=O)N[C@H]1CCCc2[nH+]c[nH]c21)Cc1cccc(F)c1 ZINC000585122673 1095017225 /nfs/dbraw/zinc/01/72/25/1095017225.db2.gz XEYCOEILENFKEV-WBMJQRKESA-N 1 2 315.392 3.311 50 0 DGAALO Cc1cn(C(C)(C)C(=O)Nc2ccc(N3CCCC3)cc2)c[nH+]1 ZINC000585131697 1095032445 /nfs/dbraw/zinc/03/24/45/1095032445.db2.gz 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/nfs/dbraw/zinc/35/73/92/192357392.db2.gz LZRBHNMCTPBDDS-UHFFFAOYSA-N 1 2 313.788 3.269 50 0 DGAALO Cc1cn2cc(NC(=O)c3[nH]c4c(c3C)C(=O)CCC4)ccc2[nH+]1 ZINC000095393793 185352254 /nfs/dbraw/zinc/35/22/54/185352254.db2.gz KSCFYVSYMWIUEJ-UHFFFAOYSA-N 1 2 322.368 3.051 50 0 DGAALO CC(C)OCCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000095401038 185354370 /nfs/dbraw/zinc/35/43/70/185354370.db2.gz LKEFULSCAPNEOC-KRWDZBQOSA-N 1 2 305.418 3.009 50 0 DGAALO CC(C)OCCOC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000095401038 185354371 /nfs/dbraw/zinc/35/43/71/185354371.db2.gz LKEFULSCAPNEOC-KRWDZBQOSA-N 1 2 305.418 3.009 50 0 DGAALO CCc1ccc(C(=O)c2ccc(NCc3[nH+]ccn3C)cc2)o1 ZINC000095412027 185357856 /nfs/dbraw/zinc/35/78/56/185357856.db2.gz KZHMHGCJSFSOMW-UHFFFAOYSA-N 1 2 309.369 3.419 50 0 DGAALO Cn1c(CNc2ccc(-n3cc[nH+]c3)cc2)nc2ccccc21 ZINC000095428536 185362280 /nfs/dbraw/zinc/36/22/80/185362280.db2.gz FLGQCNYCRBCMNA-UHFFFAOYSA-N 1 2 303.369 3.371 50 0 DGAALO Cc1cccn2c(CNc3cccc(C[S@](C)=O)c3)c[nH+]c12 ZINC000095429152 185362612 /nfs/dbraw/zinc/36/26/12/185362612.db2.gz DCEMSRXCEKJJRX-JOCHJYFZSA-N 1 2 313.426 3.133 50 0 DGAALO Cc1cc(N(Cc2ccccc2)C[C@H](O)c2ccco2)nc[nH+]1 ZINC000095430795 185363044 /nfs/dbraw/zinc/36/30/44/185363044.db2.gz RHHWUXWPDVPDSU-INIZCTEOSA-N 1 2 309.369 3.118 50 0 DGAALO C[N@@H+]1CC[C@@H](NC(=O)c2ccoc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000095437870 185365495 /nfs/dbraw/zinc/36/54/95/185365495.db2.gz VWZROAWNMDUTLY-CABCVRRESA-N 1 2 322.767 3.247 50 0 DGAALO C[N@H+]1CC[C@@H](NC(=O)c2ccoc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000095437870 185365496 /nfs/dbraw/zinc/36/54/96/185365496.db2.gz VWZROAWNMDUTLY-CABCVRRESA-N 1 2 322.767 3.247 50 0 DGAALO FC(F)(F)c1ccnc(NCc2cccc(-c3[nH]cc[nH+]3)c2)n1 ZINC000095460520 185370688 /nfs/dbraw/zinc/37/06/88/185370688.db2.gz DOSUHPKBUYBFPF-UHFFFAOYSA-N 1 2 319.290 3.498 50 0 DGAALO c1cn(CCSc2c[nH]nn2)c(-c2ccnc3ccccc32)[nH+]1 ZINC000071708134 191011396 /nfs/dbraw/zinc/01/13/96/191011396.db2.gz HRPAHVMZHVNRMB-UHFFFAOYSA-N 1 2 322.397 3.009 50 0 DGAALO c1cn(Cc2cnn(Cc3ccccc3)c2)c(-c2ccncc2)[nH+]1 ZINC000071748975 191020322 /nfs/dbraw/zinc/02/03/22/191020322.db2.gz NUABKELXECSSFI-UHFFFAOYSA-N 1 2 315.380 3.238 50 0 DGAALO CCn1cc[nH+]c1CN(C)c1nccc(-c2ccc(C)nc2C)n1 ZINC000071756968 191024479 /nfs/dbraw/zinc/02/44/79/191024479.db2.gz XEXBEXNRFVCRJE-UHFFFAOYSA-N 1 2 322.416 3.008 50 0 DGAALO Cc1nc2ccccn2c1C[NH+]1CC(Oc2ccccc2C)C1 ZINC000072129083 191043223 /nfs/dbraw/zinc/04/32/23/191043223.db2.gz ZUZPAIMUTCXMOX-UHFFFAOYSA-N 1 2 307.397 3.214 50 0 DGAALO Cc1[nH+]c2ccccn2c1CN1CC(Oc2ccccc2C)C1 ZINC000072129083 191043224 /nfs/dbraw/zinc/04/32/24/191043224.db2.gz ZUZPAIMUTCXMOX-UHFFFAOYSA-N 1 2 307.397 3.214 50 0 DGAALO Cc1cccc(Cl)c1NC(=O)N1CCCn2c[nH+]cc2C1 ZINC000072145685 191050968 /nfs/dbraw/zinc/05/09/68/191050968.db2.gz YWNWFRAGFJBMNU-UHFFFAOYSA-N 1 2 304.781 3.283 50 0 DGAALO Fc1ccc2nc([C@H]3CCC[N@@H+]3CCc3ccccn3)[nH]c2c1 ZINC000072154835 191058995 /nfs/dbraw/zinc/05/89/95/191058995.db2.gz OEDPVZXAVOQVAR-QGZVFWFLSA-N 1 2 310.376 3.477 50 0 DGAALO Fc1ccc2nc([C@H]3CCC[N@H+]3CCc3ccccn3)[nH]c2c1 ZINC000072154835 191058998 /nfs/dbraw/zinc/05/89/98/191058998.db2.gz OEDPVZXAVOQVAR-QGZVFWFLSA-N 1 2 310.376 3.477 50 0 DGAALO OCCCCCC[N@@H+]1CCC[C@@H]1c1nc2ccc(F)cc2[nH]1 ZINC000072169654 191068009 /nfs/dbraw/zinc/06/80/09/191068009.db2.gz IERNTNLXKMAOBV-MRXNPFEDSA-N 1 2 305.397 3.392 50 0 DGAALO OCCCCCC[N@H+]1CCC[C@@H]1c1nc2ccc(F)cc2[nH]1 ZINC000072169654 191068011 /nfs/dbraw/zinc/06/80/11/191068011.db2.gz IERNTNLXKMAOBV-MRXNPFEDSA-N 1 2 305.397 3.392 50 0 DGAALO C[C@@H](c1nnc(-c2ccccc2)o1)[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000072255176 191088251 /nfs/dbraw/zinc/08/82/51/191088251.db2.gz LZBSKHBSNYHBOZ-XJKSGUPXSA-N 1 2 323.400 3.368 50 0 DGAALO C[C@@H](c1nnc(-c2ccccc2)o1)[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000072255176 191088254 /nfs/dbraw/zinc/08/82/54/191088254.db2.gz LZBSKHBSNYHBOZ-XJKSGUPXSA-N 1 2 323.400 3.368 50 0 DGAALO CCn1c2cc(C)c(-n3cc[nH+]c3C3CC3)cc2n(CC)c1=O ZINC000072480523 191180828 /nfs/dbraw/zinc/18/08/28/191180828.db2.gz QRHUEWDEFVTFBP-UHFFFAOYSA-N 1 2 310.401 3.214 50 0 DGAALO Cc1cccc(-n2ncc3c2nc[nH+]c3NCc2cccnc2)c1 ZINC000000426466 180786693 /nfs/dbraw/zinc/78/66/93/180786693.db2.gz XKXZORQORJHUKC-UHFFFAOYSA-N 1 2 316.368 3.131 50 0 DGAALO CCCCc1c(-c2ccccc2)[nH+]cn1[C@H](C)C1N=NC(=O)N1 ZINC000067491241 432031591 /nfs/dbraw/zinc/03/15/91/432031591.db2.gz QMHWFIABDSDGAH-GFCCVEGCSA-N 1 2 311.389 3.326 50 0 DGAALO C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000067675009 432034679 /nfs/dbraw/zinc/03/46/79/432034679.db2.gz MFGXLNOABNKXJI-NSHDSACASA-N 1 2 319.792 3.279 50 0 DGAALO Cc1ccc(C)c(O[C@H](C)C(=O)Nc2c[nH+]c3n2CCCC3)c1 ZINC000067805458 432040815 /nfs/dbraw/zinc/04/08/15/432040815.db2.gz GDUIZQXYVGUDIS-CQSZACIVSA-N 1 2 313.401 3.242 50 0 DGAALO CCC(C)(C)NC(=O)c1cc(C[N@H+](C)Cc2ccccc2)on1 ZINC000067975062 432048061 /nfs/dbraw/zinc/04/80/61/432048061.db2.gz XXSFRATYDASPAF-UHFFFAOYSA-N 1 2 315.417 3.225 50 0 DGAALO CCC(C)(C)NC(=O)c1cc(C[N@@H+](C)Cc2ccccc2)on1 ZINC000067975062 432048063 /nfs/dbraw/zinc/04/80/63/432048063.db2.gz XXSFRATYDASPAF-UHFFFAOYSA-N 1 2 315.417 3.225 50 0 DGAALO c1ccc(-c2nnn(C[N@H+]3CC=C(c4ccccc4)CC3)n2)cc1 ZINC000005256518 181223062 /nfs/dbraw/zinc/22/30/62/181223062.db2.gz HRUWPDKIGZKZEN-UHFFFAOYSA-N 1 2 317.396 3.087 50 0 DGAALO c1ccc(-c2nnn(C[N@@H+]3CC=C(c4ccccc4)CC3)n2)cc1 ZINC000005256518 181223064 /nfs/dbraw/zinc/22/30/64/181223064.db2.gz HRUWPDKIGZKZEN-UHFFFAOYSA-N 1 2 317.396 3.087 50 0 DGAALO Cc1ccc(-n2nnnc2C2([NH2+]Cc3ccco3)CCCC2)cc1 ZINC000005417122 181240633 /nfs/dbraw/zinc/24/06/33/181240633.db2.gz XACVAAUWGXFSOZ-UHFFFAOYSA-N 1 2 323.400 3.123 50 0 DGAALO CNC(=O)C1=C(C)Nc2[nH+]c3ccccc3n2[C@H]1c1cccs1 ZINC000000108665 283284136 /nfs/dbraw/zinc/28/41/36/283284136.db2.gz CXEZMGVPZSOGFF-HNNXBMFYSA-N 1 2 324.409 3.133 50 0 DGAALO Cc1ccc(C)c([C@@H]2CCCN2C(=O)CCc2c[nH+]cn2C)c1 ZINC000189299298 200377875 /nfs/dbraw/zinc/37/78/75/200377875.db2.gz 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CCC(CC)C(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000016605993 182053475 /nfs/dbraw/zinc/05/34/75/182053475.db2.gz NWHCPPJCJGRRDV-UHFFFAOYSA-N 1 2 308.853 3.420 50 0 DGAALO COc1ccccc1NC(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000018174912 182096567 /nfs/dbraw/zinc/09/65/67/182096567.db2.gz PROYIXARROFSJO-UHFFFAOYSA-N 1 2 324.384 3.175 50 0 DGAALO O=C(Nc1c[nH+]c2n1CCCC2)c1ccc2ccccc2c1O ZINC000067885280 284393605 /nfs/dbraw/zinc/39/36/05/284393605.db2.gz HCTVFWKMPBWLLW-UHFFFAOYSA-N 1 2 307.353 3.331 50 0 DGAALO COc1ccccc1C[NH+]1CCN(Cc2ccc(C)cc2)CC1 ZINC000019781772 182147934 /nfs/dbraw/zinc/14/79/34/182147934.db2.gz HBXKPMZOCZJPKH-UHFFFAOYSA-N 1 2 310.441 3.321 50 0 biogenic DGAALO CSc1ccc(C[NH+]2CCN(C(=O)CC(C)C)CC2)cc1 ZINC000019782391 182148189 /nfs/dbraw/zinc/14/81/89/182148189.db2.gz JCBFLRXUDJFIGP-UHFFFAOYSA-N 1 2 306.475 3.099 50 0 DGAALO CCn1c2ccccc2n(CCOc2ccc(OC)cc2)c1=[NH2+] ZINC000019815287 182153688 /nfs/dbraw/zinc/15/36/88/182153688.db2.gz DALCTXZKCKJGQE-UHFFFAOYSA-N 1 2 311.385 3.030 50 0 DGAALO Cc1ccccc1C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000019922529 182164365 /nfs/dbraw/zinc/16/43/65/182164365.db2.gz VIFJBLPRTVOLPG-UHFFFAOYSA-N 1 2 310.397 3.080 50 0 DGAALO O=C(CCC1CCCC1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000019889377 182161155 /nfs/dbraw/zinc/16/11/55/182161155.db2.gz JUJWBMJJBZRXMO-UHFFFAOYSA-N 1 2 318.436 3.440 50 0 DGAALO O=C(NCCc1ccc(F)cc1)c1ccccc1-c1[nH]cc[nH+]1 ZINC000020109506 182187569 /nfs/dbraw/zinc/18/75/69/182187569.db2.gz PRYPQACDZQUNNT-UHFFFAOYSA-N 1 2 309.344 3.188 50 0 DGAALO CCn1c2ccccc2n(C[C@H](O)c2ccc(Cl)cc2)c1=[NH2+] ZINC000020158840 182193786 /nfs/dbraw/zinc/19/37/86/182193786.db2.gz ZSEPWAPGCKEZFW-INIZCTEOSA-N 1 2 315.804 3.329 50 0 DGAALO C[C@@H]1C[NH+](CCOc2ccc(Cl)cc2Cl)C[C@@H](C)O1 ZINC000020167095 182193861 /nfs/dbraw/zinc/19/38/61/182193861.db2.gz NVKSROIVMBYZLH-GHMZBOCLSA-N 1 2 304.217 3.481 50 0 DGAALO Cc1cc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c(C)o1 ZINC000020344809 182209855 /nfs/dbraw/zinc/20/98/55/182209855.db2.gz KBBVDZDKDKPFAK-RMKNXTFCSA-N 1 2 324.424 3.368 50 0 DGAALO Cc1cc(C(=O)N2CC[NH+](Cc3ccc(C)cc3)CC2)cs1 ZINC000020367206 182211990 /nfs/dbraw/zinc/21/19/90/182211990.db2.gz HJANFCMHNIBUEK-UHFFFAOYSA-N 1 2 314.454 3.323 50 0 DGAALO CCN(CC)c1nc2c(cnn2C)c(NCc2ccccc2C)[nH+]1 ZINC000021930453 182299183 /nfs/dbraw/zinc/29/91/83/182299183.db2.gz GTSWPPOOXSWZNN-UHFFFAOYSA-N 1 2 324.432 3.130 50 0 DGAALO Cc1[nH]c([C@@H]2CC(=O)N(C(C)C)C2)[nH+]c1-c1ccccc1F ZINC000023310764 182356364 /nfs/dbraw/zinc/35/63/64/182356364.db2.gz RMHPCMNMICVLDX-GFCCVEGCSA-N 1 2 301.365 3.249 50 0 DGAALO COc1ccc(C[N@H+](C)[C@@H](C)c2nc3ccccc3c(=O)[nH]2)cc1 ZINC000023814449 182368965 /nfs/dbraw/zinc/36/89/65/182368965.db2.gz VJWPBACGWJXCST-ZDUSSCGKSA-N 1 2 323.396 3.125 50 0 DGAALO COc1ccc(C[N@@H+](C)[C@@H](C)c2nc3ccccc3c(=O)[nH]2)cc1 ZINC000023814449 182368967 /nfs/dbraw/zinc/36/89/67/182368967.db2.gz VJWPBACGWJXCST-ZDUSSCGKSA-N 1 2 323.396 3.125 50 0 DGAALO CC(C)C(=O)N[C@H]([NH2+]C1CCCCC1)C(Cl)(Cl)Cl ZINC000024061563 182374155 /nfs/dbraw/zinc/37/41/55/182374155.db2.gz DWMHQPHGLKBYDX-NSHDSACASA-N 1 2 315.672 3.377 50 0 DGAALO C[C@H]1c2ccsc2CCN1C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000024749241 182389682 /nfs/dbraw/zinc/38/96/82/182389682.db2.gz UPDDPWGONUADPA-LBPRGKRZSA-N 1 2 324.409 3.088 50 0 DGAALO CC[C@H](C(=O)Nc1ccc(-n2cc[nH+]c2)nc1)c1ccccc1 ZINC000024906528 182394456 /nfs/dbraw/zinc/39/44/56/182394456.db2.gz ZGJRXZJSTLYTRV-INIZCTEOSA-N 1 2 306.369 3.400 50 0 DGAALO O=C(Nc1ccc(F)cc1F)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000038853625 183011118 /nfs/dbraw/zinc/01/11/18/183011118.db2.gz VDCFYSQFYIMBNZ-UHFFFAOYSA-N 1 2 313.307 3.462 50 0 DGAALO O=C(Nc1ccc(-n2cc[nH+]c2)nc1)[C@H]1CCCc2ccccc21 ZINC000040069876 183030772 /nfs/dbraw/zinc/03/07/72/183030772.db2.gz QFWVUEVIDMCHJU-KRWDZBQOSA-N 1 2 318.380 3.326 50 0 DGAALO Cc1nn(C)c(C)c1C[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000040464607 183071765 /nfs/dbraw/zinc/07/17/65/183071765.db2.gz MMRRJSLJVMRGJG-LJQANCHMSA-N 1 2 306.413 3.311 50 0 DGAALO Cn1cc[nH+]c1[C@H](NC(=O)CC1CCCC1)c1ccccc1F ZINC000040475579 183074091 /nfs/dbraw/zinc/07/40/91/183074091.db2.gz JYOIMNRJKNJPIB-QGZVFWFLSA-N 1 2 315.392 3.345 50 0 DGAALO Cn1ccnc1[C@@H]([NH2+]Cc1ccsc1)c1cccc(F)c1 ZINC000042204359 183241833 /nfs/dbraw/zinc/24/18/33/183241833.db2.gz DSHVEBHWHNWATM-HNNXBMFYSA-N 1 2 301.390 3.500 50 0 DGAALO O=C(c1ccc(Cl)cc1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000043210841 183344537 /nfs/dbraw/zinc/34/45/37/183344537.db2.gz XCNWUSCGOXDWMX-UHFFFAOYSA-N 1 2 315.800 3.403 50 0 DGAALO CC(C)=C[C@H]1[C@H](C(=O)NCc2cccnc2-n2cc[nH+]c2)C1(C)C ZINC000044912250 183455852 /nfs/dbraw/zinc/45/58/52/183455852.db2.gz MPRIDYHJPFMAAN-JKSUJKDBSA-N 1 2 324.428 3.122 50 0 DGAALO COc1ccc(CCC(=O)Nc2ccccc2-n2cc[nH+]c2)cc1 ZINC000045860078 183532961 /nfs/dbraw/zinc/53/29/61/183532961.db2.gz MPPRCHFPYAVMLC-UHFFFAOYSA-N 1 2 321.380 3.452 50 0 DGAALO O=C1c2ccccc2C(=O)N1C[N@@H+](Cc1ccc(F)cc1)C1CC1 ZINC000057406588 184037539 /nfs/dbraw/zinc/03/75/39/184037539.db2.gz SSQFLKGCGIIKLP-UHFFFAOYSA-N 1 2 324.355 3.044 50 0 DGAALO O=C1c2ccccc2C(=O)N1C[N@H+](Cc1ccc(F)cc1)C1CC1 ZINC000057406588 184037540 /nfs/dbraw/zinc/03/75/40/184037540.db2.gz SSQFLKGCGIIKLP-UHFFFAOYSA-N 1 2 324.355 3.044 50 0 DGAALO Cc1ccc2cc(C(=O)N3CCC(n4cc[nH+]c4)CC3)[nH]c2c1 ZINC000058327677 184105650 /nfs/dbraw/zinc/10/56/50/184105650.db2.gz WHIOGRCWXLWAHO-UHFFFAOYSA-N 1 2 308.385 3.150 50 0 DGAALO OCCCCCSc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000060330879 184146165 /nfs/dbraw/zinc/14/61/65/184146165.db2.gz LICHWXGXQONEOY-UHFFFAOYSA-N 1 2 314.414 3.070 50 0 DGAALO CC[NH+](CC)Cc1nnc2sc(-c3cccc(Cl)c3)nn12 ZINC000061722130 184185944 /nfs/dbraw/zinc/18/59/44/184185944.db2.gz IRRSLJSPRHIEJF-UHFFFAOYSA-N 1 2 321.837 3.348 50 0 DGAALO COc1cccc(NC(=O)c2cc3c(s2)C[N@@H+](C2CC2)C3)c1 ZINC000065238876 184317361 /nfs/dbraw/zinc/31/73/61/184317361.db2.gz ACQGFEFABAOPIL-UHFFFAOYSA-N 1 2 314.410 3.487 50 0 DGAALO COc1cccc(NC(=O)c2cc3c(s2)C[N@H+](C2CC2)C3)c1 ZINC000065238876 184317362 /nfs/dbraw/zinc/31/73/62/184317362.db2.gz 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/nfs/dbraw/zinc/33/29/37/400332937.db2.gz VECPKKDLHKVMFX-TZMCWYRMSA-N 1 2 315.421 3.195 50 0 DGAALO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1[C@H](C)c1nc(C2CC2)no1 ZINC000106929641 400332940 /nfs/dbraw/zinc/33/29/40/400332940.db2.gz VECPKKDLHKVMFX-TZMCWYRMSA-N 1 2 315.421 3.195 50 0 DGAALO CCC1(CNC(=O)[C@H]2CCCC[N@@H+]2Cc2cccnc2)CCC1 ZINC000075108383 400560430 /nfs/dbraw/zinc/56/04/30/400560430.db2.gz BQMNXNCRDFMNKI-QGZVFWFLSA-N 1 2 315.461 3.133 50 0 DGAALO CCC1(CNC(=O)[C@H]2CCCC[N@H+]2Cc2cccnc2)CCC1 ZINC000075108383 400560434 /nfs/dbraw/zinc/56/04/34/400560434.db2.gz BQMNXNCRDFMNKI-QGZVFWFLSA-N 1 2 315.461 3.133 50 0 DGAALO CCc1nnc([C@H](C)[NH2+][C@H]2CCCc3c2cnn3C(C)(C)C)o1 ZINC000076046876 400629355 /nfs/dbraw/zinc/62/93/55/400629355.db2.gz GCGKHRGEJGHFST-AAEUAGOBSA-N 1 2 317.437 3.312 50 0 DGAALO Cc1noc(C)c1C[C@@H](C)Nc1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000077991102 400760061 /nfs/dbraw/zinc/76/00/61/400760061.db2.gz HWJHWRCDLWUTOL-LLVKDONJSA-N 1 2 323.400 3.495 50 0 DGAALO 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Cc1ccc(/C=C2/SC(=O)N(C[NH+]3CCCCC3)C2=O)cc1 ZINC000019201877 431619546 /nfs/dbraw/zinc/61/95/46/431619546.db2.gz FAMPQXUHNOFGNL-RVDMUPIBSA-N 1 2 316.426 3.475 50 0 DGAALO CCCCC12CN3CC(C)(C[N@H+](C1)C3c1ccccc1C)C2=O ZINC000019320102 431619961 /nfs/dbraw/zinc/61/99/61/431619961.db2.gz KOKQLEKFQCBARF-UHFFFAOYSA-N 1 2 312.457 3.390 50 0 biogenic DGAALO CCCCC12CN3CC(C)(C[N@@H+](C1)C3c1ccccc1C)C2=O ZINC000019320102 431619965 /nfs/dbraw/zinc/61/99/65/431619965.db2.gz KOKQLEKFQCBARF-UHFFFAOYSA-N 1 2 312.457 3.390 50 0 biogenic DGAALO CCOC(=O)C1=C(N)C[C@@H](c2ccccc2)[NH2+][C@H]1c1ccccc1 ZINC000020494382 431625805 /nfs/dbraw/zinc/62/58/05/431625805.db2.gz QHPMSQMNAPOMBZ-HKUYNNGSSA-N 1 2 322.408 3.238 50 0 DGAALO Cn1cc[nH+]c1[C@H](NC(=O)C[C@H]1C=CCC1)c1cccc(F)c1 ZINC000029082509 431713022 /nfs/dbraw/zinc/71/30/22/431713022.db2.gz XZKZIAHVDQWYSV-SUMWQHHRSA-N 1 2 313.376 3.121 50 0 DGAALO C[C@H](Sc1[nH+]cc2ccccn21)C(=O)NCc1cccs1 ZINC000026591801 431678250 /nfs/dbraw/zinc/67/82/50/431678250.db2.gz 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/nfs/dbraw/zinc/86/90/55/431869055.db2.gz AQXLOLUPZQDRPL-UHFFFAOYSA-N 1 2 321.306 3.019 50 0 DGAALO Cc1cc(N2CCOC[C@@H]2Cc2ccccc2)nc(C2CC2)[nH+]1 ZINC000089599400 431871843 /nfs/dbraw/zinc/87/18/43/431871843.db2.gz WTKVPXOCJGYMIH-KRWDZBQOSA-N 1 2 309.413 3.110 50 0 DGAALO COc1cccc(N2CC[NH+](CC(=O)c3ccc(C)cc3)CC2)c1 ZINC000036186396 431836590 /nfs/dbraw/zinc/83/65/90/431836590.db2.gz NXIGMPUZEZKPBM-UHFFFAOYSA-N 1 2 324.424 3.009 50 0 DGAALO CCCCn1cc[nH+]c1[C@H]1CCCN(C(=O)CC(F)(F)F)C1 ZINC000095368236 431922716 /nfs/dbraw/zinc/92/27/16/431922716.db2.gz SHRDXPLNANCSOB-LBPRGKRZSA-N 1 2 317.355 3.342 50 0 DGAALO CCCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)CC(F)(F)F)C1 ZINC000095368235 431923155 /nfs/dbraw/zinc/92/31/55/431923155.db2.gz SHRDXPLNANCSOB-GFCCVEGCSA-N 1 2 317.355 3.342 50 0 DGAALO CC(C)c1noc(CN2CCC[C@H](c3[nH+]ccn3C(C)C)C2)n1 ZINC000095371216 431924237 /nfs/dbraw/zinc/92/42/37/431924237.db2.gz RFVNRJLWCIIAIZ-AWEZNQCLSA-N 1 2 317.437 3.350 50 0 DGAALO Cc1noc(-c2cccnc2NCc2cn3c(cccc3C)[nH+]2)n1 ZINC000089689094 431874446 /nfs/dbraw/zinc/87/44/46/431874446.db2.gz SBLGTKFNDUAOKX-UHFFFAOYSA-N 1 2 320.356 3.008 50 0 DGAALO Cn1cc[nH+]c1-c1cccc(NC(=O)NOCc2ccccc2)c1 ZINC000089761494 431877539 /nfs/dbraw/zinc/87/75/39/431877539.db2.gz QODYDCXVALGBDO-UHFFFAOYSA-N 1 2 322.368 3.340 50 0 DGAALO Cn1cnnc1C[N@H+](C)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000089761931 431877944 /nfs/dbraw/zinc/87/79/44/431877944.db2.gz LAXHSKNVYMUXMM-SFHVURJKSA-N 1 2 310.376 3.176 50 0 DGAALO Cn1cnnc1C[N@@H+](C)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000089761931 431877945 /nfs/dbraw/zinc/87/79/45/431877945.db2.gz LAXHSKNVYMUXMM-SFHVURJKSA-N 1 2 310.376 3.176 50 0 DGAALO COc1ccccc1[C@H](NC(=O)CCC(C)C)c1[nH+]ccn1C ZINC000044890357 431878749 /nfs/dbraw/zinc/87/87/49/431878749.db2.gz LDSMKFHXXCMKDN-KRWDZBQOSA-N 1 2 315.417 3.071 50 0 DGAALO Cc1cc(NC[C@@H](O)c2ccc(F)cc2)nc(-c2cccnc2)[nH+]1 ZINC000044978689 431879834 /nfs/dbraw/zinc/87/98/34/431879834.db2.gz KMFFOTIEDJRLSU-MRXNPFEDSA-N 1 2 324.359 3.132 50 0 DGAALO C[C@H]1C(=O)NCC[N@H+]1Cc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000097553311 431970998 /nfs/dbraw/zinc/97/09/98/431970998.db2.gz KUZZUXLNFOJDKA-ZDUSSCGKSA-N 1 2 314.816 3.327 50 0 DGAALO C[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000097553311 431971001 /nfs/dbraw/zinc/97/10/01/431971001.db2.gz KUZZUXLNFOJDKA-ZDUSSCGKSA-N 1 2 314.816 3.327 50 0 DGAALO CCOc1c(Cl)cccc1NC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000054508668 431971410 /nfs/dbraw/zinc/97/14/10/431971410.db2.gz CCBFJYHHNWTUOK-NSHDSACASA-N 1 2 322.796 3.145 50 0 DGAALO COc1cc(Cl)c(C[N@H+]2CC[C@@H](OC)C2)c(Cl)c1OC ZINC000097604199 431972330 /nfs/dbraw/zinc/97/23/30/431972330.db2.gz MMUYBQZOKJHYHA-SECBINFHSA-N 1 2 320.216 3.231 50 0 DGAALO COc1cc(Cl)c(C[N@@H+]2CC[C@@H](OC)C2)c(Cl)c1OC ZINC000097604199 431972332 /nfs/dbraw/zinc/97/23/32/431972332.db2.gz MMUYBQZOKJHYHA-SECBINFHSA-N 1 2 320.216 3.231 50 0 DGAALO C[N@H+](Cc1ccc([C@H]2CCCO2)s1)Cc1[nH]nc2c1CCC2 ZINC000097655364 431972495 /nfs/dbraw/zinc/97/24/95/431972495.db2.gz UVVPJDLZCWDWNL-MRXNPFEDSA-N 1 2 317.458 3.443 50 0 DGAALO C[N@@H+](Cc1ccc([C@H]2CCCO2)s1)Cc1[nH]nc2c1CCC2 ZINC000097655364 431972497 /nfs/dbraw/zinc/97/24/97/431972497.db2.gz UVVPJDLZCWDWNL-MRXNPFEDSA-N 1 2 317.458 3.443 50 0 DGAALO O=C(NCCCOC1CCCC1)c1ccccc1-c1[nH]cc[nH+]1 ZINC000097641961 431972790 /nfs/dbraw/zinc/97/27/90/431972790.db2.gz ILPHLDGGQRFDNE-UHFFFAOYSA-N 1 2 313.401 3.156 50 0 DGAALO COc1cccc([C@@H]2CCC[N@@H+]2Cc2ncc(Cl)n2C)c1 ZINC000054979011 431974178 /nfs/dbraw/zinc/97/41/78/431974178.db2.gz HLKKQSPPSABBHT-AWEZNQCLSA-N 1 2 305.809 3.419 50 0 DGAALO COc1cccc([C@@H]2CCC[N@H+]2Cc2ncc(Cl)n2C)c1 ZINC000054979011 431974181 /nfs/dbraw/zinc/97/41/81/431974181.db2.gz HLKKQSPPSABBHT-AWEZNQCLSA-N 1 2 305.809 3.419 50 0 DGAALO c1cc([C@H]2CCCCO2)oc1C[NH+]1CCC(c2nc[nH]n2)CC1 ZINC000097713700 431974218 /nfs/dbraw/zinc/97/42/18/431974218.db2.gz JJXPHMXUXPBMTG-OAHLLOKOSA-N 1 2 316.405 3.019 50 0 DGAALO CCOc1ccc(C[N@H+](C)Cc2cc(C3CC3)on2)cc1CO ZINC000097819602 431975168 /nfs/dbraw/zinc/97/51/68/431975168.db2.gz OCJAZTJBULZMQN-UHFFFAOYSA-N 1 2 316.401 3.075 50 0 DGAALO CCOc1ccc(C[N@@H+](C)Cc2cc(C3CC3)on2)cc1CO ZINC000097819602 431975169 /nfs/dbraw/zinc/97/51/69/431975169.db2.gz OCJAZTJBULZMQN-UHFFFAOYSA-N 1 2 316.401 3.075 50 0 DGAALO COc1cccc(N2CC[NH+](Cc3c(F)cccc3F)CC2)c1 ZINC000055291846 431979319 /nfs/dbraw/zinc/97/93/19/431979319.db2.gz FBFZDNPSPLXRNH-UHFFFAOYSA-N 1 2 318.367 3.296 50 0 DGAALO Cc1cc2[nH+]cn([C@@H]3CC(=O)N(c4ccccc4)C3=O)c2cc1C ZINC000100149041 431980996 /nfs/dbraw/zinc/98/09/96/431980996.db2.gz HBKAPQOPQFMLMT-QGZVFWFLSA-N 1 2 319.364 3.158 50 0 DGAALO Cc1ccc(F)cc1NC(=O)N1CCc2c([nH+]cn2C2CC2)C1 ZINC000095942374 431927454 /nfs/dbraw/zinc/92/74/54/431927454.db2.gz LJMYGWXLZIAIDC-UHFFFAOYSA-N 1 2 314.364 3.256 50 0 DGAALO CCOCCO[C@H](C)C(=O)Nc1c(C)c(C)[nH+]c2ccccc21 ZINC000095943471 431927535 /nfs/dbraw/zinc/92/75/35/431927535.db2.gz QUTKPIONNKVONJ-CQSZACIVSA-N 1 2 316.401 3.232 50 0 DGAALO Cc1n[nH]c(C)c1NC(=O)C[NH2+][C@H](C)c1c(F)cccc1Cl ZINC000095985947 431932033 /nfs/dbraw/zinc/93/20/33/431932033.db2.gz ZYRHLXJFECYEDY-MRVPVSSYSA-N 1 2 324.787 3.108 50 0 DGAALO CCc1ccc(S(=O)(=O)Nc2cc[nH+]c(C)c2Cl)s1 ZINC000096004198 431933311 /nfs/dbraw/zinc/93/33/11/431933311.db2.gz NWHVQFKLRPGILE-UHFFFAOYSA-N 1 2 316.835 3.468 50 0 DGAALO CC(C)=CC(=O)OCc1c[nH+]c2c(C)cc(Br)cn12 ZINC000096013387 431934046 /nfs/dbraw/zinc/93/40/46/431934046.db2.gz LZHHHCHGMXYLRF-UHFFFAOYSA-N 1 2 323.190 3.415 50 0 DGAALO Cc1[nH+]c2ccccc2n1CCCOC(=O)/C=C\c1ccncc1 ZINC000096035386 431934854 /nfs/dbraw/zinc/93/48/54/431934854.db2.gz JWADZQJPYLLTJT-FPLPWBNLSA-N 1 2 321.380 3.386 50 0 DGAALO O=C(c1cc(C2CC2)on1)N(Cc1c[nH+]c2ccccn12)C1CC1 ZINC000096097135 431938142 /nfs/dbraw/zinc/93/81/42/431938142.db2.gz PMJXGLGARXQRJB-UHFFFAOYSA-N 1 2 322.368 3.005 50 0 DGAALO Cc1c[nH]c(CN(C)C(=O)CC23CC4CC(CC(C4)C2)C3)[nH+]1 ZINC000055342055 431979972 /nfs/dbraw/zinc/97/99/72/431979972.db2.gz KHNWQKBWCNXAAU-UHFFFAOYSA-N 1 2 301.434 3.283 50 0 DGAALO Cc1ccc(N2CCC[C@H](c3[nH]c4c(cccc4C)[nH+]3)C2)nn1 ZINC000096141212 431939685 /nfs/dbraw/zinc/93/96/85/431939685.db2.gz YZDVDQJGKUJWKO-AWEZNQCLSA-N 1 2 307.401 3.354 50 0 DGAALO Cc1ccc(N2CCC[C@H](c3[nH]c4cccc(C)c4[nH+]3)C2)nn1 ZINC000096141212 431939686 /nfs/dbraw/zinc/93/96/86/431939686.db2.gz YZDVDQJGKUJWKO-AWEZNQCLSA-N 1 2 307.401 3.354 50 0 DGAALO c1csc(-c2nn3c(C[NH+]4CCCCCC4)nnc3s2)c1 ZINC000049549057 431941955 /nfs/dbraw/zinc/94/19/55/431941955.db2.gz KVJLAEYZRGAKQH-UHFFFAOYSA-N 1 2 319.459 3.290 50 0 DGAALO O=C(Cc1cccs1)N1C[C@@H](n2cc[nH+]c2)Cc2ccccc21 ZINC000096426004 431948171 /nfs/dbraw/zinc/94/81/71/431948171.db2.gz VNJBNQCQHQYUCD-HNNXBMFYSA-N 1 2 323.421 3.318 50 0 DGAALO C[C@H](NC(=O)Nc1cccnc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000096434118 431948740 /nfs/dbraw/zinc/94/87/40/431948740.db2.gz ZDXMYYRZFGCBLW-ZDUSSCGKSA-N 1 2 307.357 3.150 50 0 DGAALO CCOC(=O)c1c[nH+]c2ccccc2c1NC[C@@H]1CCCO1 ZINC000050928280 431949128 /nfs/dbraw/zinc/94/91/28/431949128.db2.gz WTBVHVFAYKRSIQ-LBPRGKRZSA-N 1 2 300.358 3.002 50 0 DGAALO Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NCc1[nH+]ccn1C ZINC000096436345 431949514 /nfs/dbraw/zinc/94/95/14/431949514.db2.gz CWUCCOIEPGBYKP-CQSZACIVSA-N 1 2 314.433 3.115 50 0 DGAALO CCCCN(CCCC)C(=O)C[N@H+](C)Cc1cnc(C)s1 ZINC000052101011 431954979 /nfs/dbraw/zinc/95/49/79/431954979.db2.gz MSQNGGQGHPRBBI-UHFFFAOYSA-N 1 2 311.495 3.312 50 0 DGAALO CCCCN(CCCC)C(=O)C[N@@H+](C)Cc1cnc(C)s1 ZINC000052101011 431954981 /nfs/dbraw/zinc/95/49/81/431954981.db2.gz MSQNGGQGHPRBBI-UHFFFAOYSA-N 1 2 311.495 3.312 50 0 DGAALO COc1ccc(C[NH+]2CCN(c3ccccc3Cl)CC2)nc1 ZINC000097033706 431956331 /nfs/dbraw/zinc/95/63/31/431956331.db2.gz BXPMXFZPEMGBDN-UHFFFAOYSA-N 1 2 317.820 3.066 50 0 DGAALO CCS(=O)(=O)Nc1ccc([C@@H](C)Nc2c[nH+]cc(C)c2)cc1 ZINC000097038323 431957269 /nfs/dbraw/zinc/95/72/69/431957269.db2.gz UREWSIVQUPZAOU-CYBMUJFWSA-N 1 2 319.430 3.325 50 0 DGAALO CO[C@H](C)c1noc(C[NH2+][C@@H](C)c2ccc(Cl)s2)n1 ZINC000097111489 431961939 /nfs/dbraw/zinc/96/19/39/431961939.db2.gz CHPPKYUFZPWVQF-JGVFFNPUSA-N 1 2 301.799 3.343 50 0 DGAALO CCc1nc([C@H](C)[NH2+]CC(=O)N2[C@@H](C)CCC[C@@H]2C)cs1 ZINC000097112249 431962044 /nfs/dbraw/zinc/96/20/44/431962044.db2.gz QOZUIRBEGBRDSO-AVGNSLFASA-N 1 2 309.479 3.146 50 0 DGAALO CSc1cncc(NCc2cccc(Cn3cc[nH+]c3)c2)n1 ZINC000097162927 431963134 /nfs/dbraw/zinc/96/31/34/431963134.db2.gz VNMVONLTXBAYGZ-UHFFFAOYSA-N 1 2 311.414 3.055 50 0 DGAALO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)OCc1c(F)cccc1Cl)C2 ZINC000097164495 431964647 /nfs/dbraw/zinc/96/46/47/431964647.db2.gz RQQGEAOHABJMKU-JTQLQIEISA-N 1 2 322.767 3.359 50 0 DGAALO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)OCc1c(F)cccc1Cl)CC2 ZINC000097164495 431964648 /nfs/dbraw/zinc/96/46/48/431964648.db2.gz RQQGEAOHABJMKU-JTQLQIEISA-N 1 2 322.767 3.359 50 0 DGAALO C[C@@H](C(=O)NCCc1cccc(Cl)c1Cl)n1cc[nH+]c1 ZINC000053965138 431967118 /nfs/dbraw/zinc/96/71/18/431967118.db2.gz YBNWOGPKARRDOI-JTQLQIEISA-N 1 2 312.200 3.110 50 0 DGAALO C[C@H](Cc1ccsc1)NC(=O)CCc1cn2ccccc2[nH+]1 ZINC000097436933 431969756 /nfs/dbraw/zinc/96/97/56/431969756.db2.gz CZDRHRFOXWMRQR-CYBMUJFWSA-N 1 2 313.426 3.076 50 0 DGAALO Cc1cccc(NC(=O)[C@H](C)[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000055564246 431983233 /nfs/dbraw/zinc/98/32/33/431983233.db2.gz AXZVZBBCNQBKHD-KRWDZBQOSA-N 1 2 323.440 3.144 50 0 DGAALO CC[NH+]1CCN(C(=O)c2sc3ccccc3c2Cl)CC1 ZINC000055376491 431981475 /nfs/dbraw/zinc/98/14/75/431981475.db2.gz PBVRGCCRHZPPGQ-UHFFFAOYSA-N 1 2 308.834 3.332 50 0 DGAALO Cc1ccccc1NC(=O)[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000057267269 431991559 /nfs/dbraw/zinc/99/15/59/431991559.db2.gz VSQNYVAXJGPFQX-QGZVFWFLSA-N 1 2 323.440 3.144 50 0 DGAALO COc1c(C)c[nH+]c(CN(C)C(=O)Cc2ccccc2F)c1C ZINC000058958478 431998183 /nfs/dbraw/zinc/99/81/83/431998183.db2.gz VJQVSZJXIPBEAC-UHFFFAOYSA-N 1 2 316.376 3.047 50 0 DGAALO CCc1c[nH+]c(C)nc1N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000071763618 281470043 /nfs/dbraw/zinc/47/00/43/281470043.db2.gz PXDRXDQAXRFFKY-INIZCTEOSA-N 1 2 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RPZNYKAVMJCUIH-UHFFFAOYSA-N 1 2 300.789 3.337 50 0 DGAALO COc1ccc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000010809883 431467983 /nfs/dbraw/zinc/46/79/83/431467983.db2.gz HRGBVJLVKLAENK-UHFFFAOYSA-N 1 2 307.353 3.192 50 0 DGAALO C[C@H](C(=O)Nc1cccc(F)c1)[N@@H+]1CCc2sccc2C1 ZINC000010767361 431468044 /nfs/dbraw/zinc/46/80/44/431468044.db2.gz BTMSCLORTBIBLI-LLVKDONJSA-N 1 2 304.390 3.273 50 0 DGAALO C[C@H](C(=O)Nc1cccc(F)c1)[N@H+]1CCc2sccc2C1 ZINC000010767361 431468049 /nfs/dbraw/zinc/46/80/49/431468049.db2.gz BTMSCLORTBIBLI-LLVKDONJSA-N 1 2 304.390 3.273 50 0 DGAALO C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@H+](C)Cc1ccsc1 ZINC000009387373 431432220 /nfs/dbraw/zinc/43/22/20/431432220.db2.gz QFNBIPCKCWXSLI-JTQLQIEISA-N 1 2 310.369 3.485 50 0 DGAALO C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@@H+](C)Cc1ccsc1 ZINC000009387373 431432225 /nfs/dbraw/zinc/43/22/25/431432225.db2.gz QFNBIPCKCWXSLI-JTQLQIEISA-N 1 2 310.369 3.485 50 0 DGAALO CC(C)[C@@H](C)N(CC(F)(F)F)C(=O)c1ccc2[nH+]ccn2c1 ZINC000074583163 431432691 /nfs/dbraw/zinc/43/26/91/431432691.db2.gz GWDXEGZNPLFSPH-LLVKDONJSA-N 1 2 313.323 3.383 50 0 DGAALO CCCCc1[nH+]c2ccccc2n1CC(=O)Nc1nccs1 ZINC000009367012 431433971 /nfs/dbraw/zinc/43/39/71/431433971.db2.gz TXLJXWRSYFZWCJ-UHFFFAOYSA-N 1 2 314.414 3.474 50 0 DGAALO Cn1cc[nH+]c1[C@H](NC(=O)Cc1cccc(F)c1)c1ccccc1 ZINC000012550411 431516137 /nfs/dbraw/zinc/51/61/37/431516137.db2.gz KXQDNLGZZHFSFA-GOSISDBHSA-N 1 2 323.371 3.008 50 0 DGAALO C[N@H+](Cn1ncn(-c2ccccc2F)c1=S)C1CCCC1 ZINC000012558106 431517150 /nfs/dbraw/zinc/51/71/50/431517150.db2.gz MKPZISHDTJMDHP-UHFFFAOYSA-N 1 2 306.410 3.374 50 0 DGAALO C[N@@H+](Cn1ncn(-c2ccccc2F)c1=S)C1CCCC1 ZINC000012558106 431517158 /nfs/dbraw/zinc/51/71/58/431517158.db2.gz MKPZISHDTJMDHP-UHFFFAOYSA-N 1 2 306.410 3.374 50 0 DGAALO Cc1ccc(C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2)s1 ZINC000012531003 431512696 /nfs/dbraw/zinc/51/26/96/431512696.db2.gz NWIXBRIQCBKOQW-HNNXBMFYSA-N 1 2 311.410 3.309 50 0 DGAALO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000012538828 431513862 /nfs/dbraw/zinc/51/38/62/431513862.db2.gz DXNGMDWXBISYCR-INIZCTEOSA-N 1 2 324.359 3.470 50 0 DGAALO COc1ccccc1C[N@H+](C)[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000012867608 431533232 /nfs/dbraw/zinc/53/32/32/431533232.db2.gz UCKMQPOMFAYXBB-LJQANCHMSA-N 1 2 324.424 3.147 50 0 DGAALO COc1ccccc1C[N@@H+](C)[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000012867608 431533239 /nfs/dbraw/zinc/53/32/39/431533239.db2.gz UCKMQPOMFAYXBB-LJQANCHMSA-N 1 2 324.424 3.147 50 0 DGAALO c1[nH+]c2cc3c(cc2n1CCOc1ccccc1)OCCCO3 ZINC000014000676 431577157 /nfs/dbraw/zinc/57/71/57/431577157.db2.gz KPAWQUSCZAVCBG-UHFFFAOYSA-N 1 2 310.353 3.277 50 0 DGAALO Cc1nc(C)n(CCCn2cc[nH+]c2[C@@H](C)c2ccccc2)n1 ZINC000077428052 431595440 /nfs/dbraw/zinc/59/54/40/431595440.db2.gz BIRJBKVIHKVBFY-AWEZNQCLSA-N 1 2 309.417 3.334 50 0 DGAALO O=C(Nc1ccc2c(c1)[nH+]c1n2CCCCC1)c1ccncc1 ZINC000014910385 431598029 /nfs/dbraw/zinc/59/80/29/431598029.db2.gz OTLCBNBPFXLNCI-UHFFFAOYSA-N 1 2 306.369 3.410 50 0 DGAALO C[N@@H+](Cc1nc(-c2ccccc2)no1)C[C@@H]1Cc2ccccc2O1 ZINC000015064693 431601635 /nfs/dbraw/zinc/60/16/35/431601635.db2.gz DXEMJNAEDHYQPY-INIZCTEOSA-N 1 2 321.380 3.172 50 0 DGAALO C[N@H+](Cc1nc(-c2ccccc2)no1)C[C@@H]1Cc2ccccc2O1 ZINC000015064693 431601640 /nfs/dbraw/zinc/60/16/40/431601640.db2.gz DXEMJNAEDHYQPY-INIZCTEOSA-N 1 2 321.380 3.172 50 0 DGAALO CC(C)CN1CC[N@H+](Cc2ccc3occc3c2)[C@H](C)C1=O ZINC000077506152 431602069 /nfs/dbraw/zinc/60/20/69/431602069.db2.gz DAJUAFGTTBZESR-CQSZACIVSA-N 1 2 300.402 3.122 50 0 DGAALO CC(C)CN1CC[N@@H+](Cc2ccc3occc3c2)[C@H](C)C1=O ZINC000077506152 431602076 /nfs/dbraw/zinc/60/20/76/431602076.db2.gz DAJUAFGTTBZESR-CQSZACIVSA-N 1 2 300.402 3.122 50 0 DGAALO O=C(Nc1ccc(F)cc1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000014136448 431580262 /nfs/dbraw/zinc/58/02/62/431580262.db2.gz GGHRXBIOLWJMQV-UHFFFAOYSA-N 1 2 319.405 3.237 50 0 DGAALO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3ccncc3)n2)C1 ZINC000014167534 431581224 /nfs/dbraw/zinc/58/12/24/431581224.db2.gz GPLYXBQXVYAMKH-GFCCVEGCSA-N 1 2 316.430 3.022 50 0 DGAALO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ccncc3)n2)C1 ZINC000014167534 431581228 /nfs/dbraw/zinc/58/12/28/431581228.db2.gz GPLYXBQXVYAMKH-GFCCVEGCSA-N 1 2 316.430 3.022 50 0 DGAALO Cn1cccc1[C@@H]1CCC[N@@H+]1CC(=O)Nc1c(F)cccc1F ZINC000014159247 431583218 /nfs/dbraw/zinc/58/32/18/431583218.db2.gz ABXZJLSGLPVQRM-HNNXBMFYSA-N 1 2 319.355 3.079 50 0 DGAALO Cn1cccc1[C@@H]1CCC[N@H+]1CC(=O)Nc1c(F)cccc1F ZINC000014159247 431583224 /nfs/dbraw/zinc/58/32/24/431583224.db2.gz ABXZJLSGLPVQRM-HNNXBMFYSA-N 1 2 319.355 3.079 50 0 DGAALO c1cn(C[C@H]2CCCN(c3nccc(C4CCCC4)n3)C2)c[nH+]1 ZINC000077407261 431590848 /nfs/dbraw/zinc/59/08/48/431590848.db2.gz GGFRWZADNTUHEX-OAHLLOKOSA-N 1 2 311.433 3.247 50 0 DGAALO O=C(Nc1nc2ccccc2s1)c1ccc(-n2cc[nH+]c2)nc1 ZINC000025249125 431651610 /nfs/dbraw/zinc/65/16/10/431651610.db2.gz VKNFMHCMTPRKNV-UHFFFAOYSA-N 1 2 321.365 3.129 50 0 DGAALO Cc1cc(N(C)C)nc(Nc2ccc(NC(=O)C(C)C)cc2)[nH+]1 ZINC000017012965 431612956 /nfs/dbraw/zinc/61/29/56/431612956.db2.gz RUPFIOWTMQCJTQ-UHFFFAOYSA-N 1 2 313.405 3.189 50 0 DGAALO Cc1ccc2cc(C(=O)N3CCC[C@H]3Cn3cc[nH+]c3)ccc2n1 ZINC000119018754 431634942 /nfs/dbraw/zinc/63/49/42/431634942.db2.gz UTONXAUBYXOSNP-KRWDZBQOSA-N 1 2 320.396 3.045 50 0 DGAALO Cc1[nH]c2ccccc2c1[C@@H](c1ccccn1)[NH+]1CCOCC1 ZINC000023224638 431636692 /nfs/dbraw/zinc/63/66/92/431636692.db2.gz GGLJXDQDSWMYGE-LJQANCHMSA-N 1 2 307.397 3.293 50 0 DGAALO C[C@@H](c1nc(C(C)(C)C)no1)[N@H+](C)Cc1ccc2c(c1)OCO2 ZINC000023904013 431638406 /nfs/dbraw/zinc/63/84/06/431638406.db2.gz VZLXSTBQOWJDJH-NSHDSACASA-N 1 2 317.389 3.289 50 0 DGAALO C[C@@H](c1nc(C(C)(C)C)no1)[N@@H+](C)Cc1ccc2c(c1)OCO2 ZINC000023904013 431638410 /nfs/dbraw/zinc/63/84/10/431638410.db2.gz VZLXSTBQOWJDJH-NSHDSACASA-N 1 2 317.389 3.289 50 0 DGAALO COc1ccccc1[C@@H](C)N(C)C(=O)Cc1cn2ccccc2[nH+]1 ZINC000025113778 431648256 /nfs/dbraw/zinc/64/82/56/431648256.db2.gz JANAWQLVYXNTCD-CQSZACIVSA-N 1 2 323.396 3.105 50 0 DGAALO c1nn(-c2ccccn2)c2nc[nH+]c(NC3CCCCCC3)c12 ZINC000041529108 280512883 /nfs/dbraw/zinc/51/28/83/280512883.db2.gz KKQKZFWBZXGWOW-UHFFFAOYSA-N 1 2 308.389 3.345 50 0 DGAALO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2ncc(C(C)(C)C)o2)C1 ZINC000078611055 431688957 /nfs/dbraw/zinc/68/89/57/431688957.db2.gz DRPZSTGTZKPSRH-GFCCVEGCSA-N 1 2 323.437 3.071 50 0 DGAALO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cc2ncc(C(C)(C)C)o2)C1 ZINC000078611055 431688961 /nfs/dbraw/zinc/68/89/61/431688961.db2.gz DRPZSTGTZKPSRH-GFCCVEGCSA-N 1 2 323.437 3.071 50 0 DGAALO CC[N@H+](CCCNC(=O)c1cccc2c[nH]nc21)c1ccccc1 ZINC000025605289 431663153 /nfs/dbraw/zinc/66/31/53/431663153.db2.gz SEIZSIWGFGDMSE-UHFFFAOYSA-N 1 2 322.412 3.209 50 0 DGAALO CC[N@@H+](CCCNC(=O)c1cccc2c[nH]nc21)c1ccccc1 ZINC000025605289 431663159 /nfs/dbraw/zinc/66/31/59/431663159.db2.gz SEIZSIWGFGDMSE-UHFFFAOYSA-N 1 2 322.412 3.209 50 0 DGAALO C[N@@H+](Cc1ccc(Cl)s1)Cn1c(=O)oc2ccccc21 ZINC000025685608 431663206 /nfs/dbraw/zinc/66/32/06/431663206.db2.gz XROGJCMCWWRDGH-UHFFFAOYSA-N 1 2 308.790 3.399 50 0 DGAALO C[N@H+](Cc1ccc(Cl)s1)Cn1c(=O)oc2ccccc21 ZINC000025685608 431663212 /nfs/dbraw/zinc/66/32/12/431663212.db2.gz XROGJCMCWWRDGH-UHFFFAOYSA-N 1 2 308.790 3.399 50 0 DGAALO C[C@@H]1c2cccn2CC[N@H+]1Cc1cncc(Br)c1 ZINC000029706389 431727276 /nfs/dbraw/zinc/72/72/76/431727276.db2.gz SANFBPWPAHJMEM-LLVKDONJSA-N 1 2 306.207 3.222 50 0 DGAALO C[C@@H]1c2cccn2CC[N@@H+]1Cc1cncc(Br)c1 ZINC000029706389 431727281 /nfs/dbraw/zinc/72/72/81/431727281.db2.gz SANFBPWPAHJMEM-LLVKDONJSA-N 1 2 306.207 3.222 50 0 DGAALO CCCc1cc(C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3)cc2)[nH]n1 ZINC000029881340 431729655 /nfs/dbraw/zinc/72/96/55/431729655.db2.gz RHFOUEGSOZXQEC-CYBMUJFWSA-N 1 2 323.400 3.039 50 0 DGAALO CC[N@H+](CCCNC(=O)c1cc(Cl)ccn1)c1ccccc1 ZINC000029955422 431732884 /nfs/dbraw/zinc/73/28/84/431732884.db2.gz KKDJMHWJTNIPST-UHFFFAOYSA-N 1 2 317.820 3.381 50 0 DGAALO CC[N@@H+](CCCNC(=O)c1cc(Cl)ccn1)c1ccccc1 ZINC000029955422 431732889 /nfs/dbraw/zinc/73/28/89/431732889.db2.gz KKDJMHWJTNIPST-UHFFFAOYSA-N 1 2 317.820 3.381 50 0 DGAALO O=C(NCc1ccco1)[C@H]1CCC[N@H+]1Cc1ccccc1Cl ZINC000031557447 431760267 /nfs/dbraw/zinc/76/02/67/431760267.db2.gz IKATVIXWWKMTID-MRXNPFEDSA-N 1 2 318.804 3.214 50 0 DGAALO O=C(NCc1ccco1)[C@H]1CCC[N@@H+]1Cc1ccccc1Cl ZINC000031557447 431760274 /nfs/dbraw/zinc/76/02/74/431760274.db2.gz IKATVIXWWKMTID-MRXNPFEDSA-N 1 2 318.804 3.214 50 0 DGAALO C[C@@H](NC(=O)c1ccc[nH]c1=S)c1ccc(-n2cc[nH+]c2)cc1 ZINC000029326849 431718262 /nfs/dbraw/zinc/71/82/62/431718262.db2.gz WWDKAFXTZFUGRJ-GFCCVEGCSA-N 1 2 324.409 3.047 50 0 DGAALO C[N@H+](Cc1nc(-c2ccco2)no1)Cc1ccc(F)c(F)c1 ZINC000032760743 431791050 /nfs/dbraw/zinc/79/10/50/431791050.db2.gz ROGOUMLKLPCEHW-UHFFFAOYSA-N 1 2 305.284 3.240 50 0 DGAALO C[N@@H+](Cc1nc(-c2ccco2)no1)Cc1ccc(F)c(F)c1 ZINC000032760743 431791055 /nfs/dbraw/zinc/79/10/55/431791055.db2.gz ROGOUMLKLPCEHW-UHFFFAOYSA-N 1 2 305.284 3.240 50 0 DGAALO COC(=O)c1ccc(C[NH2+]C2(c3nccs3)CCCC2)o1 ZINC000081577833 431793983 /nfs/dbraw/zinc/79/39/83/431793983.db2.gz KWYJAMJTBOMQNL-UHFFFAOYSA-N 1 2 306.387 3.082 50 0 DGAALO Cc1ccc(-c2nnc(C[N@@H+]3CCCC[C@@H]3c3cn[nH]c3)o2)cc1 ZINC000084174716 431817101 /nfs/dbraw/zinc/81/71/01/431817101.db2.gz XEIYWADPFYVIGQ-MRXNPFEDSA-N 1 2 323.400 3.495 50 0 DGAALO Cc1ccc(-c2nnc(C[N@H+]3CCCC[C@@H]3c3cn[nH]c3)o2)cc1 ZINC000084174716 431817105 /nfs/dbraw/zinc/81/71/05/431817105.db2.gz XEIYWADPFYVIGQ-MRXNPFEDSA-N 1 2 323.400 3.495 50 0 DGAALO CCn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1Cc1cnn(C)c1 ZINC000089305475 431863615 /nfs/dbraw/zinc/86/36/15/431863615.db2.gz LKEZZYGIRKBROA-KRWDZBQOSA-N 1 2 309.417 3.127 50 0 DGAALO CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1Cc1cnn(C)c1 ZINC000089305475 431863618 /nfs/dbraw/zinc/86/36/18/431863618.db2.gz LKEZZYGIRKBROA-KRWDZBQOSA-N 1 2 309.417 3.127 50 0 DGAALO COc1ccc(C)c2sc(NCCCn3cc[nH+]c3)nc21 ZINC000034936050 431822456 /nfs/dbraw/zinc/82/24/56/431822456.db2.gz UVHZSTQESLUFJM-UHFFFAOYSA-N 1 2 302.403 3.312 50 0 DGAALO 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CCCN(Cc1ccncc1)c1cc([C@H]2CCOC2)[nH+]c(C)n1 ZINC000426527674 433522164 /nfs/dbraw/zinc/52/21/64/433522164.db2.gz FMURRGZADMHZAS-INIZCTEOSA-N 1 2 312.417 3.101 50 0 DGAALO C[C@H](CC(=O)NC1(c2ccccc2Cl)CC1)n1cc[nH+]c1 ZINC000426698156 433565544 /nfs/dbraw/zinc/56/55/44/433565544.db2.gz CJZFTYVBHHBKIJ-GFCCVEGCSA-N 1 2 303.793 3.293 50 0 DGAALO C[C@@H]1CCCC[C@@H]1OCCNc1cc(N2CCCC2)nc[nH+]1 ZINC000302774600 433857627 /nfs/dbraw/zinc/85/76/27/433857627.db2.gz DSIXKVGGDWSOTJ-CABCVRRESA-N 1 2 304.438 3.084 50 0 DGAALO C[C@@H]1CCCC[C@@H]1OCCNc1cc(N2CCCC2)[nH+]cn1 ZINC000302774600 433857635 /nfs/dbraw/zinc/85/76/35/433857635.db2.gz DSIXKVGGDWSOTJ-CABCVRRESA-N 1 2 304.438 3.084 50 0 DGAALO C[C@H]1CCCC[C@H]1OCCNc1cc(N2CCCC2)nc[nH+]1 ZINC000302774605 433858291 /nfs/dbraw/zinc/85/82/91/433858291.db2.gz DSIXKVGGDWSOTJ-LSDHHAIUSA-N 1 2 304.438 3.084 50 0 DGAALO C[C@H]1CCCC[C@H]1OCCNc1cc(N2CCCC2)[nH+]cn1 ZINC000302774605 433858302 /nfs/dbraw/zinc/85/83/02/433858302.db2.gz DSIXKVGGDWSOTJ-LSDHHAIUSA-N 1 2 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O[C@@H](C[N@H+](Cc1ccon1)Cc1ccccc1)c1cccs1 ZINC000084535737 545790489 /nfs/dbraw/zinc/79/04/89/545790489.db2.gz BASKSYCGCOJICG-INIZCTEOSA-N 1 2 314.410 3.472 50 0 DGAALO O[C@@H](C[N@@H+](Cc1ccon1)Cc1ccccc1)c1cccs1 ZINC000084535737 545790492 /nfs/dbraw/zinc/79/04/92/545790492.db2.gz BASKSYCGCOJICG-INIZCTEOSA-N 1 2 314.410 3.472 50 0 DGAALO COC(=O)c1oc([C@@H](C)[N@@H+]2CCO[C@H](c3ccco3)C2)cc1C ZINC000091590786 545837055 /nfs/dbraw/zinc/83/70/55/545837055.db2.gz SVOMTXUIOFUSFS-DOMZBBRYSA-N 1 2 319.357 3.102 50 0 DGAALO COC(=O)c1oc([C@@H](C)[N@H+]2CCO[C@H](c3ccco3)C2)cc1C ZINC000091590786 545837060 /nfs/dbraw/zinc/83/70/60/545837060.db2.gz SVOMTXUIOFUSFS-DOMZBBRYSA-N 1 2 319.357 3.102 50 0 DGAALO Cc1nnc(C[NH+]2CCC(Sc3ccc(C)cc3)CC2)[nH]1 ZINC000670456924 547756999 /nfs/dbraw/zinc/75/69/99/547756999.db2.gz BWAJHISMVWVEEQ-UHFFFAOYSA-N 1 2 302.447 3.178 50 0 DGAALO CC(C)(C)OC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1csnn1 ZINC000585088813 576000853 /nfs/dbraw/zinc/00/08/53/576000853.db2.gz NSNCBHKEOXDMSK-ZDUSSCGKSA-N 1 2 311.451 3.015 50 0 DGAALO CC(C)(C)OC(=O)CC[C@@H]1CCCC[N@H+]1Cc1csnn1 ZINC000585088813 576000854 /nfs/dbraw/zinc/00/08/54/576000854.db2.gz NSNCBHKEOXDMSK-ZDUSSCGKSA-N 1 2 311.451 3.015 50 0 DGAALO Cc1oc2nc(C[N@H+]3Cc4ccccc4C[C@H]3C)nc(N)c2c1C ZINC000178021515 655952829 /nfs/dbraw/zinc/95/28/29/655952829.db2.gz CZFSFEVCFGECHJ-LLVKDONJSA-N 1 2 322.412 3.369 50 0 DGAALO Cc1oc2nc(C[N@@H+]3Cc4ccccc4C[C@H]3C)nc(N)c2c1C ZINC000178021515 655952830 /nfs/dbraw/zinc/95/28/30/655952830.db2.gz CZFSFEVCFGECHJ-LLVKDONJSA-N 1 2 322.412 3.369 50 0 DGAALO O=C(O[C@@H](COc1ccccc1)Cn1cc[nH+]c1)c1ccccc1 ZINC000000366629 658409911 /nfs/dbraw/zinc/40/99/11/658409911.db2.gz SJCCMELPLHYEQU-GOSISDBHSA-N 1 2 322.364 3.188 50 0 DGAALO CC[C@H](c1cccnc1)N(C)C(=O)Cc1c[nH+]c2c(C)cccn12 ZINC000952968808 662209372 /nfs/dbraw/zinc/20/93/72/662209372.db2.gz IHZDKVAITKLKRA-QGZVFWFLSA-N 1 2 322.412 3.190 50 0 DGAALO C[N@H+](Cc1cc(-c2ccncc2)no1)Cc1cnc2ccccn12 ZINC001506397257 1186221849 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Cc1nc(C[N@@H+](CCO)Cc2ccccc2-c2ccccc2)c[nH]1 ZINC001704311986 1202520544 /nfs/dbraw/zinc/52/05/44/1202520544.db2.gz IOOURKXMJGNJOS-UHFFFAOYSA-N 1 2 321.424 3.380 50 0 DGAALO Cc1ncc(C[N@H+](CCO)Cc2ccccc2-c2ccccc2)[nH]1 ZINC001704311986 1202520546 /nfs/dbraw/zinc/52/05/46/1202520546.db2.gz IOOURKXMJGNJOS-UHFFFAOYSA-N 1 2 321.424 3.380 50 0 DGAALO Cc1ncc(C[N@@H+](CCO)Cc2ccccc2-c2ccccc2)[nH]1 ZINC001704311986 1202520548 /nfs/dbraw/zinc/52/05/48/1202520548.db2.gz IOOURKXMJGNJOS-UHFFFAOYSA-N 1 2 321.424 3.380 50 0 DGAALO CCCn1c(C)c[nH+]c1C1CN(C(=O)C2(c3ccccc3)CC2)C1 ZINC000581812819 1092277669 /nfs/dbraw/zinc/27/76/69/1092277669.db2.gz LIJYVSLMSVOJBD-UHFFFAOYSA-N 1 2 323.440 3.259 50 0 DGAALO Cc1c[nH+]c(-c2ccccc2)n1C[C@H]1CCN(C(=O)C2CC2)C1 ZINC000581813994 1092285061 /nfs/dbraw/zinc/28/50/61/1092285061.db2.gz NUFBTUFOWFMLOE-HNNXBMFYSA-N 1 2 309.413 3.117 50 0 DGAALO c1ccc(OC2CCN(c3cc(NCC4CC4)[nH+]cn3)CC2)cc1 ZINC000585085153 1094980951 /nfs/dbraw/zinc/98/09/51/1094980951.db2.gz 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/nfs/dbraw/zinc/35/76/90/185357690.db2.gz QXNRNLIMIFLTPY-UHFFFAOYSA-N 1 2 318.442 3.442 50 0 DGAALO Cc1[nH]c2ccc(N(C)C(=O)Cc3ccc(F)c(F)c3)cc2[nH+]1 ZINC000095430412 185362820 /nfs/dbraw/zinc/36/28/20/185362820.db2.gz KQVSXHFKOSLWOX-UHFFFAOYSA-N 1 2 315.323 3.355 50 0 DGAALO Cc1cc(O)c(C(C)C)cc1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000095431901 185363656 /nfs/dbraw/zinc/36/36/56/185363656.db2.gz HBYSCSFEWILMOB-ZDUSSCGKSA-N 1 2 313.401 3.222 50 0 DGAALO CCn1cc[nH+]c1/C=C/C(=O)N1CCC[C@@H]1Cc1ccc(C)cc1 ZINC000095448435 185368034 /nfs/dbraw/zinc/36/80/34/185368034.db2.gz HTCGKMCXXYIDLK-DOJUMQAQSA-N 1 2 323.440 3.458 50 0 DGAALO Cn1cc[nH+]c1[C@@H]1CCCN1C(=O)CCc1ccc(Cl)s1 ZINC000095456719 185370126 /nfs/dbraw/zinc/37/01/26/185370126.db2.gz QDFSKVXVGQSPIK-LBPRGKRZSA-N 1 2 323.849 3.431 50 0 DGAALO Cc1ocnc1C[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000095462139 185370845 /nfs/dbraw/zinc/37/08/45/185370845.db2.gz XJFPVEGZSGXNIW-UHFFFAOYSA-N 1 2 302.765 3.112 50 0 DGAALO Nc1ncccc1C[N@@H+]1CCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000072127287 191042881 /nfs/dbraw/zinc/04/28/81/191042881.db2.gz YOJAPPDTIQKJOO-OAHLLOKOSA-N 1 2 321.384 3.051 50 0 DGAALO Nc1ncccc1C[N@H+]1CCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000072127287 191042882 /nfs/dbraw/zinc/04/28/82/191042882.db2.gz YOJAPPDTIQKJOO-OAHLLOKOSA-N 1 2 321.384 3.051 50 0 DGAALO c1ccc(-c2nc(C[N@@H+]3CCC[C@@H]3c3ccccn3)no2)cc1 ZINC000072153730 191057006 /nfs/dbraw/zinc/05/70/06/191057006.db2.gz OAGGTMHKBHLSHY-MRXNPFEDSA-N 1 2 306.369 3.469 50 0 DGAALO c1ccc(-c2nc(C[N@H+]3CCC[C@@H]3c3ccccn3)no2)cc1 ZINC000072153730 191057009 /nfs/dbraw/zinc/05/70/09/191057009.db2.gz OAGGTMHKBHLSHY-MRXNPFEDSA-N 1 2 306.369 3.469 50 0 DGAALO O=C(Nc1nccs1)[C@H](c1ccccc1)[NH+]1CCCCC1 ZINC000052534205 304018760 /nfs/dbraw/zinc/01/87/60/304018760.db2.gz YHAPKGVGAGARFK-AWEZNQCLSA-N 1 2 301.415 3.309 50 0 DGAALO CCCn1cc[nH+]c1CNc1cc(CC)nc2c(C)c(C)nn21 ZINC000072423421 191157946 /nfs/dbraw/zinc/15/79/46/191157946.db2.gz DZCLSWGUXDFIER-UHFFFAOYSA-N 1 2 312.421 3.127 50 0 DGAALO CC[C@@H](Nc1[nH+]cnc2c1c(C)nn2C)c1nc(C)c(C)s1 ZINC000072428511 191161314 /nfs/dbraw/zinc/16/13/14/191161314.db2.gz VPUCHRRRHVZDGT-LLVKDONJSA-N 1 2 316.434 3.308 50 0 DGAALO Cc1c2cc(C)cc(C)c2[nH]c1C(=O)N1CC[C@H](n2cc[nH+]c2)C1 ZINC000067540457 432032343 /nfs/dbraw/zinc/03/23/43/432032343.db2.gz XBNRBEQWNUELDK-HNNXBMFYSA-N 1 2 322.412 3.377 50 0 DGAALO CC(=O)Oc1c(C)cc(C[N@H+](C)Cc2snnc2C)cc1C ZINC000067654249 432034674 /nfs/dbraw/zinc/03/46/74/432034674.db2.gz OOIXRGGDIPUYEG-UHFFFAOYSA-N 1 2 319.430 3.021 50 0 DGAALO CC(=O)Oc1c(C)cc(C[N@@H+](C)Cc2snnc2C)cc1C ZINC000067654249 432034676 /nfs/dbraw/zinc/03/46/76/432034676.db2.gz OOIXRGGDIPUYEG-UHFFFAOYSA-N 1 2 319.430 3.021 50 0 DGAALO Cc1c[nH+]c(C)nc1N1CCc2onc(-c3ccccc3F)c2C1 ZINC000067771266 432038656 /nfs/dbraw/zinc/03/86/56/432038656.db2.gz BNAIQPKZSRGUHV-UHFFFAOYSA-N 1 2 324.359 3.450 50 0 DGAALO COc1ccc(OC)c(-c2nc(Cn3c[nH+]c(C)c3)c(C)o2)c1 ZINC000067790464 432040192 /nfs/dbraw/zinc/04/01/92/432040192.db2.gz HVYCYSQNAORCCM-UHFFFAOYSA-N 1 2 313.357 3.220 50 0 DGAALO Cc1cccc2cc(C(=O)NCc3ccc[nH+]c3N(C)C)oc21 ZINC000067846806 432044400 /nfs/dbraw/zinc/04/44/00/432044400.db2.gz HXNKWSNWXYISAD-UHFFFAOYSA-N 1 2 309.369 3.132 50 0 DGAALO Fc1ccccc1-c1noc2c1C[N@H+](Cc1ccccn1)CC2 ZINC000067894456 432045891 /nfs/dbraw/zinc/04/58/91/432045891.db2.gz HNXNUYNHEONKFV-UHFFFAOYSA-N 1 2 309.344 3.434 50 0 DGAALO Fc1ccccc1-c1noc2c1C[N@@H+](Cc1ccccn1)CC2 ZINC000067894456 432045893 /nfs/dbraw/zinc/04/58/93/432045893.db2.gz HNXNUYNHEONKFV-UHFFFAOYSA-N 1 2 309.344 3.434 50 0 DGAALO CC[C@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@@H]1c1ccccc1 ZINC000074283223 191352225 /nfs/dbraw/zinc/35/22/25/191352225.db2.gz POCYRRCFZBVDHY-WMZOPIPTSA-N 1 2 311.429 3.316 50 0 DGAALO O=C(c1cc(-c2ccccc2)on1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075553511 191490815 /nfs/dbraw/zinc/49/08/15/191490815.db2.gz OATYMEQMJGWXFC-AWEZNQCLSA-N 1 2 322.368 3.085 50 0 DGAALO COc1ccc(CCCC(=O)Nc2c[nH+]c3n2CCCC3)cc1 ZINC000067975481 432048009 /nfs/dbraw/zinc/04/80/09/432048009.db2.gz IQIPZDGHIOAKRB-UHFFFAOYSA-N 1 2 313.401 3.189 50 0 DGAALO Cc1[nH+]c2ccccc2n1CCC(=O)NCCc1ccccc1 ZINC000005207427 181217257 /nfs/dbraw/zinc/21/72/57/181217257.db2.gz XLFRSHPKIPDSIM-UHFFFAOYSA-N 1 2 307.397 3.094 50 0 DGAALO COc1ccc2c(c1)[nH+]ccc2OCc1nccn1C(F)F ZINC000081080245 192223937 /nfs/dbraw/zinc/22/39/37/192223937.db2.gz GPTZNWPCOBRRGF-UHFFFAOYSA-N 1 2 305.284 3.414 50 0 DGAALO COc1ccc(Cl)cc1C[NH2+][C@@H](c1nccn1C)C1CC1 ZINC000187762366 200154301 /nfs/dbraw/zinc/15/43/01/200154301.db2.gz OZQAASIOGTZBJH-OAHLLOKOSA-N 1 2 305.809 3.323 50 0 DGAALO COC[C@H]([NH2+][C@@H]1CCCn2nc(C)nc21)c1ccc(Cl)cc1 ZINC000194111544 201180467 /nfs/dbraw/zinc/18/04/67/201180467.db2.gz TUFNTBWXHUITED-CABCVRRESA-N 1 2 320.824 3.052 50 0 DGAALO c1ccc(-c2nnc([C@@H]3CCC[N@H+]3Cc3ccccn3)[nH]2)cc1 ZINC000091984244 193136153 /nfs/dbraw/zinc/13/61/53/193136153.db2.gz ALRRJXOTBGLEEB-INIZCTEOSA-N 1 2 305.385 3.204 50 0 DGAALO c1ccc(-c2nnc([C@@H]3CCC[N@@H+]3Cc3ccccn3)[nH]2)cc1 ZINC000091984244 193136154 /nfs/dbraw/zinc/13/61/54/193136154.db2.gz ALRRJXOTBGLEEB-INIZCTEOSA-N 1 2 305.385 3.204 50 0 DGAALO Cc1[nH+]c2ccccc2n1CCSc1nncn1C(C)C ZINC000096488971 193667255 /nfs/dbraw/zinc/66/72/55/193667255.db2.gz GABOHGCTIHNGQC-UHFFFAOYSA-N 1 2 301.419 3.309 50 0 DGAALO Cn1cc[nH+]c1[C@H](NC(=O)c1ccccc1F)c1ccccc1 ZINC000012506567 181768377 /nfs/dbraw/zinc/76/83/77/181768377.db2.gz SICXMJADUMQTSR-MRXNPFEDSA-N 1 2 309.344 3.079 50 0 DGAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccccc1)c1ccccc1F ZINC000012604263 181782407 /nfs/dbraw/zinc/78/24/07/181782407.db2.gz NPQYGCZHXMNOEP-INIZCTEOSA-N 1 2 309.344 3.079 50 0 DGAALO O=C(Nc1ccc2c(c1)[nH+]c1n2CCCCC1)c1ccccn1 ZINC000009119143 284336236 /nfs/dbraw/zinc/33/62/36/284336236.db2.gz IRKZKXSAZRIUFK-UHFFFAOYSA-N 1 2 306.369 3.410 50 0 DGAALO Cc1[nH+]c2ccccc2n1C[C@H](O)COc1cccc(C)c1C ZINC000015860716 182022748 /nfs/dbraw/zinc/02/27/48/182022748.db2.gz YEGRACYHIAVRGB-INIZCTEOSA-N 1 2 310.397 3.401 50 0 DGAALO CSc1cccc(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)c1 ZINC000015880137 182023710 /nfs/dbraw/zinc/02/37/10/182023710.db2.gz KIODCNDCAQWVRO-UHFFFAOYSA-N 1 2 319.455 3.105 50 0 DGAALO CSc1cccc(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)c1 ZINC000015880137 182023712 /nfs/dbraw/zinc/02/37/12/182023712.db2.gz KIODCNDCAQWVRO-UHFFFAOYSA-N 1 2 319.455 3.105 50 0 DGAALO Cc1ccc(C[N@@H+](C)[C@@H](C)C(=O)N[C@H](C)c2ccccc2)o1 ZINC000016377471 182042753 /nfs/dbraw/zinc/04/27/53/182042753.db2.gz KGAIKTLZMDTZQI-CABCVRRESA-N 1 2 300.402 3.286 50 0 DGAALO Cc1ccc(C[N@H+](C)[C@@H](C)C(=O)N[C@H](C)c2ccccc2)o1 ZINC000016377471 182042754 /nfs/dbraw/zinc/04/27/54/182042754.db2.gz KGAIKTLZMDTZQI-CABCVRRESA-N 1 2 300.402 3.286 50 0 DGAALO Fc1cccc(C[NH+]2CCN(Cc3ccccc3F)CC2)c1 ZINC000019781715 182147837 /nfs/dbraw/zinc/14/78/37/182147837.db2.gz HEHDRHZTNQPTFI-UHFFFAOYSA-N 1 2 302.368 3.283 50 0 DGAALO Fc1cccc(CN2CC[NH+](Cc3ccccc3F)CC2)c1 ZINC000019781715 182147838 /nfs/dbraw/zinc/14/78/38/182147838.db2.gz HEHDRHZTNQPTFI-UHFFFAOYSA-N 1 2 302.368 3.283 50 0 DGAALO COc1ccc(C[NH+]2CCN(Cc3cccc(C)c3)CC2)cc1 ZINC000019781884 182148167 /nfs/dbraw/zinc/14/81/67/182148167.db2.gz MMKNSOCOAUANFK-UHFFFAOYSA-N 1 2 310.441 3.321 50 0 biogenic DGAALO Cc1nnc(C[N@@H+](C)Cc2c[nH]nc2-c2cc3ccccc3o2)o1 ZINC000019837832 182154528 /nfs/dbraw/zinc/15/45/28/182154528.db2.gz PXWALDOTDGAYTC-UHFFFAOYSA-N 1 2 323.356 3.146 50 0 DGAALO Cc1nnc(C[N@H+](C)Cc2c[nH]nc2-c2cc3ccccc3o2)o1 ZINC000019837832 182154529 /nfs/dbraw/zinc/15/45/29/182154529.db2.gz PXWALDOTDGAYTC-UHFFFAOYSA-N 1 2 323.356 3.146 50 0 DGAALO Cc1[nH+]c2ccccc2n1C[C@@H](O)COCc1ccccc1F ZINC000021275339 182269975 /nfs/dbraw/zinc/26/99/75/182269975.db2.gz SQTAXJUJAHCGDD-OAHLLOKOSA-N 1 2 314.360 3.062 50 0 DGAALO Cc1cc2oc(=O)cc(C[NH+]3C[C@@H](C)O[C@H](C)C3)c2cc1Cl ZINC000021821972 182294266 /nfs/dbraw/zinc/29/42/66/182294266.db2.gz CTHBTGDHGXVMDT-VXGBXAGGSA-N 1 2 321.804 3.364 50 0 DGAALO O=C(NCCCn1cc[nH+]c1)c1ccccc1Nc1ccccc1 ZINC000023238535 182353821 /nfs/dbraw/zinc/35/38/21/182353821.db2.gz RDYXGVKOGWZQCQ-UHFFFAOYSA-N 1 2 320.396 3.447 50 0 DGAALO C[C@@H]1C[NH+](Cc2coc3ccc(Cl)cc3c2=O)C[C@@H](C)O1 ZINC000023281230 182355711 /nfs/dbraw/zinc/35/57/11/182355711.db2.gz ZVWWUJJGHLBEPB-GHMZBOCLSA-N 1 2 307.777 3.056 50 0 DGAALO COc1ccc(-c2[nH+]c([C@H]3CC(=O)N(C(C)C)C3)[nH]c2C)cc1 ZINC000023619205 182364793 /nfs/dbraw/zinc/36/47/93/182364793.db2.gz CWWZVDYJVOMCNS-AWEZNQCLSA-N 1 2 313.401 3.118 50 0 DGAALO Cn1cc[nH+]c1[C@@H](NC(=O)[C@@H]1CC=CCC1)c1cccc(F)c1 ZINC000024016001 182372478 /nfs/dbraw/zinc/37/24/78/182372478.db2.gz XKVHZIGYZVBPKY-CJNGLKHVSA-N 1 2 313.376 3.121 50 0 DGAALO O=C(NCC1(c2ccccc2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000024050829 182373340 /nfs/dbraw/zinc/37/33/40/182373340.db2.gz JETDIGAVGWYEFT-UHFFFAOYSA-N 1 2 317.392 3.334 50 0 DGAALO COc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)c(OC)c1 ZINC000024049726 182373784 /nfs/dbraw/zinc/37/37/84/182373784.db2.gz VCNNDAJHRIJPHF-UHFFFAOYSA-N 1 2 323.352 3.142 50 0 DGAALO O=C(Nc1ccc(-n2cc[nH+]c2)nc1)c1cc2c(s1)CCC2 ZINC000025009742 182399071 /nfs/dbraw/zinc/39/90/71/182399071.db2.gz FJUPDIROZUNIGK-UHFFFAOYSA-N 1 2 310.382 3.070 50 0 DGAALO O=C(Nc1cccc(Cn2cc[nH+]c2)c1)c1ccc[nH]c1=S ZINC000030688330 182596111 /nfs/dbraw/zinc/59/61/11/182596111.db2.gz POCJQAUKTOUPSJ-UHFFFAOYSA-N 1 2 310.382 3.241 50 0 DGAALO O=C(NCCc1ccc(F)cc1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000038489113 183000455 /nfs/dbraw/zinc/00/04/55/183000455.db2.gz PJLJKPXVJGRDHU-UHFFFAOYSA-N 1 2 323.371 3.043 50 0 DGAALO CCCCCNC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000040051415 183030149 /nfs/dbraw/zinc/03/01/49/183030149.db2.gz MUYWNRZNRXZVEX-AWEZNQCLSA-N 1 2 300.406 3.423 50 0 DGAALO CCCCNC(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000040119855 183037918 /nfs/dbraw/zinc/03/79/18/183037918.db2.gz HIEIBWAVYHKUFM-UHFFFAOYSA-N 1 2 304.438 3.061 50 0 DGAALO Cn1cc[nH+]c1[C@@H](NC(=O)CC1CCCC1)c1ccccc1F ZINC000040475581 183074448 /nfs/dbraw/zinc/07/44/48/183074448.db2.gz JYOIMNRJKNJPIB-KRWDZBQOSA-N 1 2 315.392 3.345 50 0 DGAALO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1ccc(Cl)s1 ZINC000040489832 183079992 /nfs/dbraw/zinc/07/99/92/183079992.db2.gz NPCHIHTZEVSERT-UHFFFAOYSA-N 1 2 321.833 3.327 50 0 DGAALO COc1ccc(CNc2nc(N(C)C)c3ccccc3[nH+]2)cc1 ZINC000041147214 183176948 /nfs/dbraw/zinc/17/69/48/183176948.db2.gz UOQFHCRSONYSDA-UHFFFAOYSA-N 1 2 308.385 3.317 50 0 DGAALO Cc1cc(C)cc(C(=O)c2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000043210849 183344144 /nfs/dbraw/zinc/34/41/44/183344144.db2.gz FBRMCWKZGFPWJG-UHFFFAOYSA-N 1 2 309.409 3.367 50 0 DGAALO Cc1ccccc1[C@@H](C)[NH2+]Cc1noc(C2CCOCC2)n1 ZINC000104355061 194000790 /nfs/dbraw/zinc/00/07/90/194000790.db2.gz WZRBDXFUKJRFPG-CYBMUJFWSA-N 1 2 301.390 3.123 50 0 DGAALO Cc1cc2[nH+]cn(C[C@@H](O)c3ccc4c(c3)OCCO4)c2cc1C ZINC000058246152 184094364 /nfs/dbraw/zinc/09/43/64/184094364.db2.gz IZUBLHWCVIXKNG-QGZVFWFLSA-N 1 2 324.380 3.158 50 0 DGAALO Cc1cc(N)nc(S[C@@H](C)c2nc(-c3cccs3)no2)[nH+]1 ZINC000058313688 184103979 /nfs/dbraw/zinc/10/39/79/184103979.db2.gz KLGSNYQHRXYHOW-QMMMGPOBSA-N 1 2 319.415 3.332 50 0 DGAALO C[C@H]1C(=O)[C@@H](C)[C@@H](c2ccc(O)cc2)[NH2+][C@@H]1c1ccc(O)cc1 ZINC000058482542 184120107 /nfs/dbraw/zinc/12/01/07/184120107.db2.gz NFDDAJSPVPMMDU-CMKMFDCUSA-N 1 2 311.381 3.325 50 0 DGAALO Cc1ccccc1-c1nc(-c2ccc(-n3cc[nH+]c3)nc2)no1 ZINC000065239609 184317235 /nfs/dbraw/zinc/31/72/35/184317235.db2.gz AZMVIWJMEDQSJM-UHFFFAOYSA-N 1 2 303.325 3.293 50 0 DGAALO CCN(CC)c1cc(CCC(=O)NCc2ccccc2)cc[nH+]1 ZINC000065269923 184320197 /nfs/dbraw/zinc/32/01/97/184320197.db2.gz ZTVVWXSSOJHBKD-UHFFFAOYSA-N 1 2 311.429 3.177 50 0 DGAALO CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1cnoc1-c1ccccc1 ZINC000065288895 184323224 /nfs/dbraw/zinc/32/32/24/184323224.db2.gz QQRCZSNQXTZJPK-MRXNPFEDSA-N 1 2 314.385 3.259 50 0 DGAALO CCOC(=O)[C@H]1CCCC[N@H+]1Cc1cnoc1-c1ccccc1 ZINC000065288895 184323225 /nfs/dbraw/zinc/32/32/25/184323225.db2.gz QQRCZSNQXTZJPK-MRXNPFEDSA-N 1 2 314.385 3.259 50 0 DGAALO CCc1c[nH+]c(C)nc1N(C)Cc1cc(-c2ccccn2)no1 ZINC000065425000 184342816 /nfs/dbraw/zinc/34/28/16/184342816.db2.gz YPDDVTMMIGTDGX-UHFFFAOYSA-N 1 2 309.373 3.034 50 0 DGAALO CC(C)[C@H](NC(=O)NCCNc1cccc[nH+]1)c1cccs1 ZINC000065454253 184347743 /nfs/dbraw/zinc/34/77/43/184347743.db2.gz DHNUTUOSKVNUIQ-HNNXBMFYSA-N 1 2 318.446 3.252 50 0 DGAALO CCc1c[nH+]c(C)nc1NCc1ccccc1CN1CCCC1=O ZINC000065404896 184338036 /nfs/dbraw/zinc/33/80/36/184338036.db2.gz SPJJCKSCZNLSBY-UHFFFAOYSA-N 1 2 324.428 3.082 50 0 DGAALO CCOc1ccc(-c2c[nH]c([C@H]3CCOC3)[nH+]2)cc1OCC ZINC000065406261 184338329 /nfs/dbraw/zinc/33/83/29/184338329.db2.gz VJJVBKTURVNGSB-ZDUSSCGKSA-N 1 2 302.374 3.378 50 0 DGAALO COc1ccc(C[N@H+](C)Cc2cccnc2Cl)cc1OC ZINC000065541997 184363943 /nfs/dbraw/zinc/36/39/43/184363943.db2.gz VWRHTDUMNBGAOM-UHFFFAOYSA-N 1 2 306.793 3.384 50 0 DGAALO COc1ccc(C[N@@H+](C)Cc2cccnc2Cl)cc1OC ZINC000065541997 184363945 /nfs/dbraw/zinc/36/39/45/184363945.db2.gz VWRHTDUMNBGAOM-UHFFFAOYSA-N 1 2 306.793 3.384 50 0 DGAALO COc1c(C)c[nH+]c(CN(C)C(=O)c2ccc(F)cc2)c1C ZINC000065566398 184367301 /nfs/dbraw/zinc/36/73/01/184367301.db2.gz KHHRMVLUGABDAT-UHFFFAOYSA-N 1 2 302.349 3.118 50 0 DGAALO Cc1cccn2cc(CC(=O)N(C)[C@H]3CCc4ccccc43)[nH+]c12 ZINC000065594691 184370893 /nfs/dbraw/zinc/37/08/93/184370893.db2.gz PJLRGTRCVLMTON-SFHVURJKSA-N 1 2 319.408 3.331 50 0 DGAALO C[C@@H](c1ccccc1)N(CC1CC1)C(=O)NCCn1cc[nH+]c1 ZINC000065620564 184374408 /nfs/dbraw/zinc/37/44/08/184374408.db2.gz WIVXZUIVCCTHQG-HNNXBMFYSA-N 1 2 312.417 3.066 50 0 DGAALO CN(CCc1ccccc1)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000071910369 184901554 /nfs/dbraw/zinc/90/15/54/184901554.db2.gz ZOEBRHXSPXJSCF-UHFFFAOYSA-N 1 2 305.381 3.187 50 0 DGAALO O=C(c1ccc(F)cc1Cl)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000121036043 195284014 /nfs/dbraw/zinc/28/40/14/195284014.db2.gz LOGJHJUXGICMHT-CYBMUJFWSA-N 1 2 320.751 3.168 50 0 DGAALO O=C1C[NH2+][C@H](c2ccc(Br)cc2)c2ccccc2N1 ZINC000072314545 400381047 /nfs/dbraw/zinc/38/10/47/400381047.db2.gz DDHINLOENBWQPE-OAHLLOKOSA-N 1 2 317.186 3.080 50 0 DGAALO CCOC(=O)[C@](C)([NH2+]Cc1ccc(OC(F)F)cc1)C(C)C ZINC000072308595 400381207 /nfs/dbraw/zinc/38/12/07/400381207.db2.gz LESVIACUSDLVIF-MRXNPFEDSA-N 1 2 315.360 3.355 50 0 DGAALO Cc1noc(C)c1C[N@@H+](C)[C@@H](C)C(=O)Nc1cc(F)ccc1C ZINC000072514710 400385625 /nfs/dbraw/zinc/38/56/25/400385625.db2.gz LFVNSPCCSDHZSD-LBPRGKRZSA-N 1 2 319.380 3.198 50 0 DGAALO Cc1noc(C)c1C[N@H+](C)[C@@H](C)C(=O)Nc1cc(F)ccc1C ZINC000072514710 400385631 /nfs/dbraw/zinc/38/56/31/400385631.db2.gz LFVNSPCCSDHZSD-LBPRGKRZSA-N 1 2 319.380 3.198 50 0 DGAALO Cc1cccc(C)c1OCC[N@@H+]1CCO[C@H](c2nccs2)C1 ZINC000111691786 400367588 /nfs/dbraw/zinc/36/75/88/400367588.db2.gz RRUPIJIXBZDSDN-HNNXBMFYSA-N 1 2 318.442 3.212 50 0 DGAALO Cc1cccc(C)c1OCC[N@H+]1CCO[C@H](c2nccs2)C1 ZINC000111691786 400367591 /nfs/dbraw/zinc/36/75/91/400367591.db2.gz RRUPIJIXBZDSDN-HNNXBMFYSA-N 1 2 318.442 3.212 50 0 DGAALO CN(C)c1ncnc2sc3c(c21)CC[N@H+](Cc1ccccc1)C3 ZINC000141773540 400627360 /nfs/dbraw/zinc/62/73/60/400627360.db2.gz 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C[C@H](c1ccco1)[N@@H+](C)Cc1cc(C(N)=O)oc1C(C)(C)C ZINC000244742146 432821460 /nfs/dbraw/zinc/82/14/60/432821460.db2.gz OCQNEYZYBHADGI-LLVKDONJSA-N 1 2 304.390 3.462 50 0 DGAALO Cc1ccn(CC[N@@H+]2CCC[C@@H]2c2nc3cccc(C)c3[nH]2)n1 ZINC000244723971 432822189 /nfs/dbraw/zinc/82/21/89/432822189.db2.gz MLCHSNCOFSRIMU-MRXNPFEDSA-N 1 2 309.417 3.213 50 0 DGAALO Cc1ccn(CC[N@H+]2CCC[C@@H]2c2nc3cccc(C)c3[nH]2)n1 ZINC000244723971 432822193 /nfs/dbraw/zinc/82/21/93/432822193.db2.gz MLCHSNCOFSRIMU-MRXNPFEDSA-N 1 2 309.417 3.213 50 0 DGAALO Cn1cc[nH+]c1[C@@H](NC(=O)CCCc1cccs1)C1CC1 ZINC000341720820 433235437 /nfs/dbraw/zinc/23/54/37/433235437.db2.gz QMZFUYUJLFOMIE-HNNXBMFYSA-N 1 2 303.431 3.072 50 0 DGAALO Cc1nnc(C[N@H+](C)CCCOc2ccc(C)cc2C)s1 ZINC000299768140 433381781 /nfs/dbraw/zinc/38/17/81/433381781.db2.gz GKTVUBUHAVRDST-UHFFFAOYSA-N 1 2 305.447 3.364 50 0 DGAALO Cc1nnc(C[N@@H+](C)CCCOc2ccc(C)cc2C)s1 ZINC000299768140 433381795 /nfs/dbraw/zinc/38/17/95/433381795.db2.gz GKTVUBUHAVRDST-UHFFFAOYSA-N 1 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332070480 /nfs/dbraw/zinc/07/04/80/332070480.db2.gz LLLUCFDDHBEDLK-UHFFFAOYSA-N 1 2 311.385 3.245 50 0 DGAALO FC(F)(F)Oc1ccccc1-c1ccc(-n2cc[nH+]c2)nn1 ZINC000426388393 534407739 /nfs/dbraw/zinc/40/77/39/534407739.db2.gz KOMDPCUQFMPRBO-UHFFFAOYSA-N 1 2 306.247 3.228 50 0 DGAALO c1cc(CNc2nc(C3CC3)no2)cc(N2CCCCCC2)[nH+]1 ZINC000076686806 545738318 /nfs/dbraw/zinc/73/83/18/545738318.db2.gz STPADDIXGOFRIT-UHFFFAOYSA-N 1 2 313.405 3.335 50 0 DGAALO CCCN(Cc1[nH+]ccn1C)C(=O)Nc1cccc(CC)c1 ZINC000299763203 546434604 /nfs/dbraw/zinc/43/46/04/546434604.db2.gz YZDXUKRXQDHPHV-UHFFFAOYSA-N 1 2 300.406 3.427 50 0 DGAALO Nc1[nH+]cnc(N2C[C@@H](c3ccccc3)C3(CCC3)C2)c1Cl ZINC000334122557 546516027 /nfs/dbraw/zinc/51/60/27/546516027.db2.gz MNOGISJDLPCXLC-ZDUSSCGKSA-N 1 2 314.820 3.486 50 0 DGAALO Nc1nc[nH+]c(N2C[C@@H](c3ccccc3)C3(CCC3)C2)c1Cl ZINC000334122557 546516032 /nfs/dbraw/zinc/51/60/32/546516032.db2.gz MNOGISJDLPCXLC-ZDUSSCGKSA-N 1 2 314.820 3.486 50 0 DGAALO 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CC(C)Cn1cc[nH+]c1CNc1cncc(Br)c1 ZINC000095429648 185362682 /nfs/dbraw/zinc/36/26/82/185362682.db2.gz HALPIFXYIXVHJA-UHFFFAOYSA-N 1 2 309.211 3.309 50 0 DGAALO C[N@@H+]1CC[C@@H](NC(=O)c2cccs2)[C@@H]1c1ccc(F)c(F)c1 ZINC000095449232 185368400 /nfs/dbraw/zinc/36/84/00/185368400.db2.gz ZMAJSFQNAMKGBN-HIFRSBDPSA-N 1 2 322.380 3.202 50 0 DGAALO C[N@H+]1CC[C@@H](NC(=O)c2cccs2)[C@@H]1c1ccc(F)c(F)c1 ZINC000095449232 185368401 /nfs/dbraw/zinc/36/84/01/185368401.db2.gz ZMAJSFQNAMKGBN-HIFRSBDPSA-N 1 2 322.380 3.202 50 0 DGAALO c1cn(Cc2ccccc2)c(Cn2cc([C@H]3CC=CCC3)nn2)[nH+]1 ZINC000067820700 190724975 /nfs/dbraw/zinc/72/49/75/190724975.db2.gz GFJUJEHPNCLOJW-KRWDZBQOSA-N 1 2 319.412 3.395 50 0 DGAALO C[C@@H]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000229492734 201836177 /nfs/dbraw/zinc/83/61/77/201836177.db2.gz SECNOVHVWTZXLU-VYDXJSESSA-N 1 2 324.428 3.308 50 0 DGAALO O=C1NCCN1c1cccc(-n2cc[nH+]c2C2CCCCC2)c1 ZINC000071753836 191024087 /nfs/dbraw/zinc/02/40/87/191024087.db2.gz 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/nfs/dbraw/zinc/14/47/69/182144769.db2.gz LYRXPHMSROBDNJ-UHFFFAOYSA-N 1 2 324.424 3.388 50 0 DGAALO Fc1ccc(CN2CC[NH+](Cc3cccc(F)c3)CC2)cc1 ZINC000019781574 182147924 /nfs/dbraw/zinc/14/79/24/182147924.db2.gz RYMVEWDFWCRELD-UHFFFAOYSA-N 1 2 302.368 3.283 50 0 DGAALO Fc1ccc(C[NH+]2CCN(Cc3cccc(F)c3)CC2)cc1 ZINC000019781574 182147926 /nfs/dbraw/zinc/14/79/26/182147926.db2.gz RYMVEWDFWCRELD-UHFFFAOYSA-N 1 2 302.368 3.283 50 0 DGAALO O=C(CCC1CCCC1)N1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000019889234 182160944 /nfs/dbraw/zinc/16/09/44/182160944.db2.gz FNCWQIKQYWFNNC-UHFFFAOYSA-N 1 2 318.436 3.440 50 0 DGAALO O=C(/C=C/c1ccccc1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000019929059 182166125 /nfs/dbraw/zinc/16/61/25/182166125.db2.gz PJSTUIZLMYTBTM-DHZHZOJOSA-N 1 2 322.408 3.171 50 0 DGAALO CC(C)(C)CC(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000020467908 182221167 /nfs/dbraw/zinc/22/11/67/182221167.db2.gz CKDVRCBNWLRAMR-UHFFFAOYSA-N 1 2 308.853 3.420 50 0 DGAALO CCOC(=O)C1=C(N)C[C@H](c2ccccc2)[NH2+][C@@H]1c1ccccc1 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C[N@@H+](Cn1ncc(Cl)c(Cl)c1=O)[C@@H]1CCc2ccccc21 ZINC000022758495 182333153 /nfs/dbraw/zinc/33/31/53/182333153.db2.gz WWYHGGMFCUEHAA-CYBMUJFWSA-N 1 2 324.211 3.127 50 0 DGAALO Cc1cc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(Cl)s2)on1 ZINC000022911280 182340274 /nfs/dbraw/zinc/34/02/74/182340274.db2.gz JBZNRARGXUMWAJ-VIFPVBQESA-N 1 2 313.810 3.157 50 0 DGAALO Cc1cc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(Cl)s2)on1 ZINC000022911280 182340277 /nfs/dbraw/zinc/34/02/77/182340277.db2.gz JBZNRARGXUMWAJ-VIFPVBQESA-N 1 2 313.810 3.157 50 0 DGAALO C[C@H](CC(=O)NCCc1cn2ccccc2[nH+]1)c1ccccc1 ZINC000023318848 182357531 /nfs/dbraw/zinc/35/75/31/182357531.db2.gz IYYCSAJIFJVXKO-OAHLLOKOSA-N 1 2 307.397 3.187 50 0 DGAALO Cc1cc(C)c2oc(=O)cc(C[NH+]3C[C@H](C)O[C@@H](C)C3)c2c1 ZINC000023643744 182365436 /nfs/dbraw/zinc/36/54/36/182365436.db2.gz GPKXOXKYDFBUGR-KBPBESRZSA-N 1 2 301.386 3.019 50 0 DGAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccsc1)c1cccc(F)c1 ZINC000024015087 182372509 /nfs/dbraw/zinc/37/25/09/182372509.db2.gz 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