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CC[NH+](CC)c1ccc(-n2nc3cc(C)c(N)cc3n2)cc1 ZINC000000459758 368371311 /nfs/dbraw/zinc/37/13/11/368371311.db2.gz WRIPKYOZKAJHRL-UHFFFAOYSA-N 1 2 295.390 3.157 50 0 CGAALO Cc1cc(OCCn2cc[nH+]c2)cc(C)c1Cl ZINC000000433436 368364939 /nfs/dbraw/zinc/36/49/39/368364939.db2.gz VKOVKFWGBYDDOC-UHFFFAOYSA-N 1 2 250.729 3.232 50 0 CGAALO O=C(N[C@H](Cc1[nH]cc[nH+]1)c1ccccc1)[C@@H]1CC=CCC1 ZINC000012529378 368617228 /nfs/dbraw/zinc/61/72/28/368617228.db2.gz TXZDHZIGPVGKLG-HZPDHXFCSA-N 1 2 295.386 3.166 50 0 CGAALO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c1C ZINC000012691433 368624405 /nfs/dbraw/zinc/62/44/05/368624405.db2.gz XMGWSSOZYKLIFM-MFKMUULPSA-N 1 2 290.407 3.137 50 0 CGAALO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@H+]2CCC[C@@H](C)C2)c1C ZINC000012691433 368624411 /nfs/dbraw/zinc/62/44/11/368624411.db2.gz XMGWSSOZYKLIFM-MFKMUULPSA-N 1 2 290.407 3.137 50 0 CGAALO CCCCC12CN3CC(C)(C[N@H+](C1)C3c1ccccc1)C2=O ZINC000019320104 368748873 /nfs/dbraw/zinc/74/88/73/368748873.db2.gz 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/nfs/dbraw/zinc/37/44/32/369374432.db2.gz NOKGAYVZMDQQDJ-UHFFFAOYSA-N 1 2 289.423 3.124 50 0 CGAALO C[C@@H]1C[C@H]1C(=O)Nc1cccc(-c2cn3c([nH+]2)CCCC3)c1 ZINC000054667374 369504336 /nfs/dbraw/zinc/50/43/36/369504336.db2.gz YHMNQQYFNMESDG-IUODEOHRSA-N 1 2 295.386 3.481 50 0 CGAALO Cc1nnc(C[N@@H+](C)Cc2ccc(C(C)C)cc2)o1 ZINC000058160892 369555038 /nfs/dbraw/zinc/55/50/38/369555038.db2.gz AOLOSRFLJDLWFW-UHFFFAOYSA-N 1 2 259.353 3.133 50 0 CGAALO Cc1nnc(C[N@H+](C)Cc2ccc(C(C)C)cc2)o1 ZINC000058160892 369555040 /nfs/dbraw/zinc/55/50/40/369555040.db2.gz AOLOSRFLJDLWFW-UHFFFAOYSA-N 1 2 259.353 3.133 50 0 CGAALO COc1c(C)c[nH+]c(CN(C)C(=O)CCC(C)C)c1C ZINC000058958369 369576886 /nfs/dbraw/zinc/57/68/86/369576886.db2.gz PBFSOPVWPRRMFA-UHFFFAOYSA-N 1 2 278.396 3.102 50 0 CGAALO CCCCc1c(-c2ccccc2)[nH+]cn1CCCO ZINC000065397595 369673121 /nfs/dbraw/zinc/67/31/21/369673121.db2.gz LVJHVXGYHNJCEM-UHFFFAOYSA-N 1 2 258.365 3.275 50 0 CGAALO Cc1ccsc1C(=O)NCCCCNc1cccc[nH+]1 ZINC000069813968 369772039 /nfs/dbraw/zinc/77/20/39/369772039.db2.gz UEIQOPNFXJJZNG-UHFFFAOYSA-N 1 2 289.404 3.074 50 0 CGAALO Cc1nc(Cl)cc(NCc2cn3c(cccc3C)[nH+]2)n1 ZINC000068772531 369748653 /nfs/dbraw/zinc/74/86/53/369748653.db2.gz JPUUNFOBXMYISD-UHFFFAOYSA-N 1 2 287.754 3.007 50 0 CGAALO c1cn(CCc2c[nH]c[nH+]2)c(-c2cccc3cccnc32)n1 ZINC000067803948 369730444 /nfs/dbraw/zinc/73/04/44/369730444.db2.gz DWKYWBCRLKDWIY-UHFFFAOYSA-N 1 2 289.342 3.064 50 0 CGAALO CCOc1ccc(-c2[nH+]ccn2CC2CCOCC2)cc1 ZINC000067816937 369730930 /nfs/dbraw/zinc/73/09/30/369730930.db2.gz ACBUEADENBKGEM-UHFFFAOYSA-N 1 2 286.375 3.375 50 0 CGAALO Cc1nc([C@H]2CCC[N@@H+]2Cc2cc(C)cc(C)c2)no1 ZINC000075581834 369913964 /nfs/dbraw/zinc/91/39/64/369913964.db2.gz KGRCOQBZLBPNRJ-OAHLLOKOSA-N 1 2 271.364 3.332 50 0 CGAALO Cc1nc([C@H]2CCC[N@H+]2Cc2cc(C)cc(C)c2)no1 ZINC000075581834 369913970 /nfs/dbraw/zinc/91/39/70/369913970.db2.gz KGRCOQBZLBPNRJ-OAHLLOKOSA-N 1 2 271.364 3.332 50 0 CGAALO COc1ccc(CSc2nc(N)cc(C)[nH+]2)cc1Cl ZINC000089600628 370043196 /nfs/dbraw/zinc/04/31/96/370043196.db2.gz FSWGXLUWJUKCCK-UHFFFAOYSA-N 1 2 295.795 3.322 50 0 CGAALO FC(F)n1ccnc1COc1cccc(-n2cc[nH+]c2)c1 ZINC000081080202 369994895 /nfs/dbraw/zinc/99/48/95/369994895.db2.gz JWKLREQYNDGFKN-UHFFFAOYSA-N 1 2 290.273 3.043 50 0 CGAALO COCCOc1cccc(NCc2[nH+]ccn2C(C)C)c1 ZINC000095411965 370185179 /nfs/dbraw/zinc/18/51/79/370185179.db2.gz XHFUXCUHVMVZCZ-UHFFFAOYSA-N 1 2 289.379 3.101 50 0 CGAALO Cc1cc[nH+]cc1NCc1cn(C)nc1-c1cccs1 ZINC000097115621 370229648 /nfs/dbraw/zinc/22/96/48/370229648.db2.gz UNHLHFDZUKKFPG-UHFFFAOYSA-N 1 2 284.388 3.464 50 0 CGAALO Cc1[nH]c(-c2ccc(NC(=O)C(C)C)cc2)c(C)[nH+]1 ZINC000426563254 372164832 /nfs/dbraw/zinc/16/48/32/372164832.db2.gz XOFSAPPOYXHAJI-UHFFFAOYSA-N 1 2 257.337 3.288 50 0 CGAALO Cc1ccc(N2C(=O)c3ccccc3[C@H]2[NH+](C)C)cc1 ZINC000334163345 374652556 /nfs/dbraw/zinc/65/25/56/374652556.db2.gz PSWNAZWBUGGQKT-INIZCTEOSA-N 1 2 266.344 3.216 50 0 CGAALO CCc1noc(C[N@@H+](CC)Cc2cccc3[nH]ccc32)n1 ZINC000214974030 376144748 /nfs/dbraw/zinc/14/47/48/376144748.db2.gz FQLCSEDJRYZYMY-UHFFFAOYSA-N 1 2 284.363 3.135 50 0 CGAALO CCc1noc(C[N@H+](CC)Cc2cccc3[nH]ccc32)n1 ZINC000214974030 376144750 /nfs/dbraw/zinc/14/47/50/376144750.db2.gz FQLCSEDJRYZYMY-UHFFFAOYSA-N 1 2 284.363 3.135 50 0 CGAALO CCCO[C@H]1CCC[N@H+](Cc2c(F)c(F)ccc2OC)C1 ZINC000215711772 376150695 /nfs/dbraw/zinc/15/06/95/376150695.db2.gz HCNVLIPCCVLTRX-LBPRGKRZSA-N 1 2 299.361 3.364 50 0 CGAALO CCCO[C@H]1CCC[N@@H+](Cc2c(F)c(F)ccc2OC)C1 ZINC000215711772 376150701 /nfs/dbraw/zinc/15/07/01/376150701.db2.gz HCNVLIPCCVLTRX-LBPRGKRZSA-N 1 2 299.361 3.364 50 0 CGAALO FC(F)Oc1ccccc1C[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000216435183 376164293 /nfs/dbraw/zinc/16/42/93/376164293.db2.gz MEZBYRIGBZYSRO-UKRRQHHQSA-N 1 2 297.345 3.431 50 0 CGAALO FC(F)Oc1ccccc1C[N@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000216435183 376164300 /nfs/dbraw/zinc/16/43/00/376164300.db2.gz MEZBYRIGBZYSRO-UKRRQHHQSA-N 1 2 297.345 3.431 50 0 CGAALO COc1ccc([C@@H]([NH2+]Cc2csnn2)C(C)C)cc1 ZINC000343034689 377885713 /nfs/dbraw/zinc/88/57/13/377885713.db2.gz PFGMFGBSKJNPOT-AWEZNQCLSA-N 1 2 277.393 3.034 50 0 CGAALO Cc1nonc1C[N@@H+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000267843293 190358475 /nfs/dbraw/zinc/35/84/75/190358475.db2.gz UYUQGLHFSMZLFL-HNNXBMFYSA-N 1 2 275.327 3.244 50 0 CGAALO Cc1nonc1C[N@H+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000267843293 190358476 /nfs/dbraw/zinc/35/84/76/190358476.db2.gz UYUQGLHFSMZLFL-HNNXBMFYSA-N 1 2 275.327 3.244 50 0 CGAALO CCCc1nnc(SCc2[nH+]cc(C)c(OC)c2C)[nH]1 ZINC000096411902 392251216 /nfs/dbraw/zinc/25/12/16/392251216.db2.gz PVTGSFGSNRTYJD-UHFFFAOYSA-N 1 2 292.408 3.070 50 0 CGAALO CCCc1nc(SCc2[nH+]cc(C)c(OC)c2C)n[nH]1 ZINC000096411902 392251219 /nfs/dbraw/zinc/25/12/19/392251219.db2.gz PVTGSFGSNRTYJD-UHFFFAOYSA-N 1 2 292.408 3.070 50 0 CGAALO CCc1nnc(C[N@H+]2CC=C(c3ccccc3F)CC2)o1 ZINC000097161789 392261126 /nfs/dbraw/zinc/26/11/26/392261126.db2.gz WRVQXMVKUVUDGE-UHFFFAOYSA-N 1 2 287.338 3.060 50 0 CGAALO CCc1nnc(C[N@@H+]2CC=C(c3ccccc3F)CC2)o1 ZINC000097161789 392261131 /nfs/dbraw/zinc/26/11/31/392261131.db2.gz WRVQXMVKUVUDGE-UHFFFAOYSA-N 1 2 287.338 3.060 50 0 CGAALO CCCNc1ccccc1NC(=O)c1ccn2cc[nH+]c2c1 ZINC000190155044 392810308 /nfs/dbraw/zinc/81/03/08/392810308.db2.gz NHJKPTISSYXPGQ-UHFFFAOYSA-N 1 2 294.358 3.409 50 0 CGAALO COc1c(C)c[nH+]c(CN(C)C(=O)CC(C)(C)C)c1C ZINC000058210384 397636819 /nfs/dbraw/zinc/63/68/19/397636819.db2.gz NFIYKMFGKVFEFR-UHFFFAOYSA-N 1 2 278.396 3.102 50 0 CGAALO C[C@H](c1nc(C2CC2)no1)[N@H+](C)CCOc1ccccc1 ZINC000076491064 287034301 /nfs/dbraw/zinc/03/43/01/287034301.db2.gz LOTYZMVLBACLJB-GFCCVEGCSA-N 1 2 287.363 3.019 50 0 CGAALO C[C@H](c1nc(C2CC2)no1)[N@@H+](C)CCOc1ccccc1 ZINC000076491064 287034306 /nfs/dbraw/zinc/03/43/06/287034306.db2.gz LOTYZMVLBACLJB-GFCCVEGCSA-N 1 2 287.363 3.019 50 0 CGAALO O=C(CCn1cc[nH+]c1)Nc1cccc2ccccc21 ZINC000006084785 170174814 /nfs/dbraw/zinc/17/48/14/170174814.db2.gz PXSATSROSAUELL-UHFFFAOYSA-N 1 2 265.316 3.065 50 0 CGAALO Cc1ccc2[nH+]c(COC(=O)c3ccc(F)cc3)cn2c1 ZINC000008134589 170320437 /nfs/dbraw/zinc/32/04/37/170320437.db2.gz GAGMZIFNAMGDNM-UHFFFAOYSA-N 1 2 284.290 3.139 50 0 CGAALO CC1CC[NH+](Cn2[nH]c(-c3ccccc3)nc2=S)CC1 ZINC000008734214 170352012 /nfs/dbraw/zinc/35/20/12/170352012.db2.gz AKNFUTGSQFACKW-UHFFFAOYSA-N 1 2 288.420 3.297 50 0 CGAALO Clc1cccc(-n2ncc3c2nc[nH+]c3N2CCCC2)c1 ZINC000020662190 171269652 /nfs/dbraw/zinc/26/96/52/171269652.db2.gz NRVFCXNWQLNACY-UHFFFAOYSA-N 1 2 299.765 3.069 50 0 CGAALO Cc1ccc(Cl)cc1-n1ncc2c1nc[nH+]c2NC1CC1 ZINC000040227528 174208556 /nfs/dbraw/zinc/20/85/56/174208556.db2.gz RSTWKJODNMXMNB-UHFFFAOYSA-N 1 2 299.765 3.352 50 0 CGAALO Cc1ccc(NC(=O)NCc2cc[nH+]c(N(C)C)c2)c(C)c1 ZINC000040525368 174313468 /nfs/dbraw/zinc/31/34/68/174313468.db2.gz WNXWGECDXKRPDU-UHFFFAOYSA-N 1 2 298.390 3.086 50 0 CGAALO COc1cc2c(cc1OCc1ccccc1)C=[NH+]CC2 ZINC000044137675 175146022 /nfs/dbraw/zinc/14/60/22/175146022.db2.gz KPCZWMYFJQPPSN-UHFFFAOYSA-N 1 2 267.328 3.249 50 0 CGAALO O=C(Cc1ccc(F)cc1)Nc1ccccc1-n1cc[nH+]c1 ZINC000045859944 175385033 /nfs/dbraw/zinc/38/50/33/175385033.db2.gz IOFLLEDFKMYMCE-UHFFFAOYSA-N 1 2 295.317 3.193 50 0 CGAALO Cc1cc(Cn2cc[nH+]c2[C@@H](C)c2ccccc2)on1 ZINC000071589705 176217599 /nfs/dbraw/zinc/21/75/99/176217599.db2.gz SZOKOOWHTCYUKZ-ZDUSSCGKSA-N 1 2 267.332 3.380 50 0 CGAALO COC(C)(C)Cn1cc[nH+]c1-c1c[nH]c2cc(=O)ccc-2c1 ZINC000071749086 176259482 /nfs/dbraw/zinc/25/94/82/176259482.db2.gz VHIZGIWVOXBCAO-UHFFFAOYSA-N 1 2 297.358 3.229 50 0 CGAALO COc1ccc(-n2cc[nH+]c2[C@@H](C)c2ccccc2)cn1 ZINC000072165634 176331230 /nfs/dbraw/zinc/33/12/30/176331230.db2.gz XJZFPHUYHBJUBW-ZDUSSCGKSA-N 1 2 279.343 3.428 50 0 CGAALO CCCCN1c2ccccc2[N@@H+](CC(=O)c2ccco2)C1=N ZINC000019947007 260115279 /nfs/dbraw/zinc/11/52/79/260115279.db2.gz RXDLQFSYOFZODF-UHFFFAOYSA-N 1 2 297.358 3.198 50 0 CGAALO CCCCN1c2ccccc2[N@H+](CC(=O)c2ccco2)C1=N ZINC000019947007 260115281 /nfs/dbraw/zinc/11/52/81/260115281.db2.gz RXDLQFSYOFZODF-UHFFFAOYSA-N 1 2 297.358 3.198 50 0 CGAALO C[C@H]1CCCCN1c1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000009911729 278334567 /nfs/dbraw/zinc/33/45/67/278334567.db2.gz UFEUPCYZPMCHEV-ZDUSSCGKSA-N 1 2 293.374 3.194 50 0 CGAALO Cc1ccc2[nH+]c(C)cc(NC(=O)c3ccncc3)c2c1 ZINC000013688639 281152829 /nfs/dbraw/zinc/15/28/29/281152829.db2.gz AEJCSRHYAOLGBD-UHFFFAOYSA-N 1 2 277.327 3.499 50 0 CGAALO CCCN(C[C@H]1CCCCO1)C(=O)Nc1cc[nH+]cc1C ZINC000097100031 329526524 /nfs/dbraw/zinc/52/65/24/329526524.db2.gz XXZWDMHHOQPWKO-CQSZACIVSA-N 1 2 291.395 3.203 50 0 CGAALO CC/C=C(/C)C(=O)Nc1cccc(Cn2cc[nH+]c2)c1 ZINC000044954238 622832004 /nfs/dbraw/zinc/83/20/04/622832004.db2.gz XMIPRQGSCWMCJZ-ACAGNQJTSA-N 1 2 269.348 3.226 50 0 CGAALO Cc1ccccc1[C@@H](c1nc(C(C)C)no1)[NH+](C)C ZINC000200504678 928109034 /nfs/dbraw/zinc/10/90/34/928109034.db2.gz KTFGAKMXTZECPV-ZDUSSCGKSA-N 1 2 259.353 3.152 50 0 CGAALO O[C@H](c1cccs1)C1CCN(c2cc[nH+]cc2F)CC1 ZINC001506419307 937989809 /nfs/dbraw/zinc/98/98/09/937989809.db2.gz ABFHJKJLMUWMCU-HNNXBMFYSA-N 1 2 292.379 3.232 50 0 CGAALO COc1cccc2c1OC[C@H](Cc1ccc(C)[nH+]c1)C2 ZINC000095516701 185001208 /nfs/dbraw/zinc/00/12/08/185001208.db2.gz UVBUFGWLDKZCNF-CQSZACIVSA-N 1 2 269.344 3.192 50 0 CGAALO COC(=O)[C@@H]([NH2+][C@@H]1CCc2ccccc2C1)c1ccccc1 ZINC000095950768 185038838 /nfs/dbraw/zinc/03/88/38/185038838.db2.gz MWJCCACOUYWELT-MSOLQXFVSA-N 1 2 295.382 3.048 50 0 CGAALO CC(C)(C)OCCn1nc(C(F)(F)F)c2c[nH+]ccc21 ZINC000095983456 185054251 /nfs/dbraw/zinc/05/42/51/185054251.db2.gz JYYHSBKQPGSLEL-UHFFFAOYSA-N 1 2 287.285 3.265 50 0 CGAALO Cc1ccc(NC(=O)NCCCNc2cccc[nH+]2)s1 ZINC000097010521 185151549 /nfs/dbraw/zinc/15/15/49/185151549.db2.gz LIDVVBPUFBSXBV-UHFFFAOYSA-N 1 2 290.392 3.075 50 0 CGAALO Cn1cc[nH+]c1-c1cccc(NCc2ccc(O)cc2)c1 ZINC000170087912 346193379 /nfs/dbraw/zinc/19/33/79/346193379.db2.gz RVUCXRYXQXUTGP-UHFFFAOYSA-N 1 2 279.343 3.405 50 0 CGAALO Cc1cc(C)c(Cn2cnc3c(C)c(C)ccc3c2=O)c[nH+]1 ZINC000584902606 346723927 /nfs/dbraw/zinc/72/39/27/346723927.db2.gz BMFIPDFXHCRKGT-UHFFFAOYSA-N 1 2 293.370 3.073 50 0 CGAALO CCn1cc[nH+]c1[C@@H]1CCCN(C(=O)C2CCCCC2)C1 ZINC000092077789 180318565 /nfs/dbraw/zinc/31/85/65/180318565.db2.gz UXABAWGYSHRCOZ-OAHLLOKOSA-N 1 2 289.423 3.189 50 0 CGAALO C[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(F)c(F)c2)C1 ZINC000000211968 368317596 /nfs/dbraw/zinc/31/75/96/368317596.db2.gz XBRDMWBCZJNOGI-NSHDSACASA-N 1 2 282.334 3.025 50 0 CGAALO C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(F)c(F)c2)C1 ZINC000000211968 368317602 /nfs/dbraw/zinc/31/76/02/368317602.db2.gz XBRDMWBCZJNOGI-NSHDSACASA-N 1 2 282.334 3.025 50 0 CGAALO Cc1[nH+]c2ccccc2n1CC[C@@H](O)c1ccccc1 ZINC000000071980 368282446 /nfs/dbraw/zinc/28/24/46/368282446.db2.gz JVXRYSHRJJJGMG-QGZVFWFLSA-N 1 2 266.344 3.468 50 0 CGAALO CC(=O)Nc1ccc(-c2cn3cc(C)ccc3[nH+]2)cc1 ZINC000000387437 368355054 /nfs/dbraw/zinc/35/50/54/368355054.db2.gz QQMLYYIAFWFJMV-UHFFFAOYSA-N 1 2 265.316 3.268 50 0 aggregator CGAALO COc1cc2c(cc1OC)C1(CCCC1)C[NH+]=C2C ZINC000004025612 368527414 /nfs/dbraw/zinc/52/74/14/368527414.db2.gz ZIRDBDORTHREIV-UHFFFAOYSA-N 1 2 259.349 3.338 50 0 biogenic CGAALO CCCCNc1[nH+]cnc2c1cnn2-c1ccc(F)cc1 ZINC000004354486 368544580 /nfs/dbraw/zinc/54/45/80/368544580.db2.gz ZTNMWTANYQIFPU-UHFFFAOYSA-N 1 2 285.326 3.167 50 0 CGAALO Cn1cc[nH+]c1[C@@H](NC(=O)C1CCCCC1)c1ccccc1 ZINC000012535439 368617237 /nfs/dbraw/zinc/61/72/37/368617237.db2.gz ZQCNGSHGRGQPNP-INIZCTEOSA-N 1 2 297.402 3.206 50 0 CGAALO Cc1ccccc1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012544573 368618716 /nfs/dbraw/zinc/61/87/16/368618716.db2.gz DZDFMGNOEUEOQA-UHFFFAOYSA-N 1 2 277.327 3.433 50 0 CGAALO Cn1cc[nH+]c1[C@@H](NC(=O)CC(C)(C)C)c1ccccc1 ZINC000012734626 368624329 /nfs/dbraw/zinc/62/43/29/368624329.db2.gz TUDGEMANARAQKF-HNNXBMFYSA-N 1 2 285.391 3.062 50 0 CGAALO CCCC12CN3CC(C)(C[N@H+](C1)C3c1ccccc1C)C2=O ZINC000019322242 368747864 /nfs/dbraw/zinc/74/78/64/368747864.db2.gz GKWWCLCVBBBBIG-UHFFFAOYSA-N 1 2 298.430 3.000 50 0 CGAALO CCCC12CN3CC(C)(C[N@@H+](C1)C3c1ccccc1C)C2=O ZINC000019322242 368747869 /nfs/dbraw/zinc/74/78/69/368747869.db2.gz GKWWCLCVBBBBIG-UHFFFAOYSA-N 1 2 298.430 3.000 50 0 CGAALO Clc1ccc(C[N@@H+]2CCc3sccc3C2)cn1 ZINC000019390494 368749914 /nfs/dbraw/zinc/74/99/14/368749914.db2.gz KYDIIWUFZGLXFY-UHFFFAOYSA-N 1 2 264.781 3.355 50 0 CGAALO Clc1ccc(C[N@H+]2CCc3sccc3C2)cn1 ZINC000019390494 368749918 /nfs/dbraw/zinc/74/99/18/368749918.db2.gz KYDIIWUFZGLXFY-UHFFFAOYSA-N 1 2 264.781 3.355 50 0 CGAALO CCCCSCC(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000024970520 368837349 /nfs/dbraw/zinc/83/73/49/368837349.db2.gz DJVASSDWWHKKLI-UHFFFAOYSA-N 1 2 289.404 3.344 50 0 CGAALO CCn1c2ccccc2n(CCOc2ccc(C)cc2)c1=[NH2+] ZINC000019997438 368793006 /nfs/dbraw/zinc/79/30/06/368793006.db2.gz QNJJTPYGJRWPSN-UHFFFAOYSA-N 1 2 295.386 3.330 50 0 CGAALO C[C@@H](NC(=O)C(C)(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000027680296 368875461 /nfs/dbraw/zinc/87/54/61/368875461.db2.gz PLWYVDZPIJBOSA-GFCCVEGCSA-N 1 2 271.364 3.096 50 0 CGAALO Cc1ccc(C[N@@H+]2CCO[C@H](COc3ccccc3)C2)cc1 ZINC000034670606 368976248 /nfs/dbraw/zinc/97/62/48/368976248.db2.gz RSNBJIHAUZFVFT-IBGZPJMESA-N 1 2 297.398 3.275 50 0 CGAALO Cc1ccc(C[N@H+]2CCO[C@H](COc3ccccc3)C2)cc1 ZINC000034670606 368976254 /nfs/dbraw/zinc/97/62/54/368976254.db2.gz RSNBJIHAUZFVFT-IBGZPJMESA-N 1 2 297.398 3.275 50 0 CGAALO C[C@H]1C[C@@H]1C(=O)Nc1ccc2[nH]c(C(C)(C)C)[nH+]c2c1 ZINC000032465275 368931824 /nfs/dbraw/zinc/93/18/24/368931824.db2.gz QARWPDWRZNJOOV-ONGXEEELSA-N 1 2 271.364 3.455 50 0 CGAALO Cc1noc([C@H](C)[N@H+](C)Cc2ccc(Cl)cc2)n1 ZINC000032906044 368951171 /nfs/dbraw/zinc/95/11/71/368951171.db2.gz QDDHRCKVQIKHPD-VIFPVBQESA-N 1 2 265.744 3.224 50 0 CGAALO Cc1noc([C@H](C)[N@@H+](C)Cc2ccc(Cl)cc2)n1 ZINC000032906044 368951173 /nfs/dbraw/zinc/95/11/73/368951173.db2.gz QDDHRCKVQIKHPD-VIFPVBQESA-N 1 2 265.744 3.224 50 0 CGAALO CC[N@H+](CCCNC(=O)C(C)(C)C)c1ccccc1 ZINC000041998033 369199278 /nfs/dbraw/zinc/19/92/78/369199278.db2.gz BQRYTFFNCIXHLG-UHFFFAOYSA-N 1 2 262.397 3.065 50 0 CGAALO CC[N@@H+](CCCNC(=O)C(C)(C)C)c1ccccc1 ZINC000041998033 369199281 /nfs/dbraw/zinc/19/92/81/369199281.db2.gz BQRYTFFNCIXHLG-UHFFFAOYSA-N 1 2 262.397 3.065 50 0 CGAALO c1cn(C2CCN(c3nc4ccccc4s3)CC2)c[nH+]1 ZINC000060296287 369586110 /nfs/dbraw/zinc/58/61/10/369586110.db2.gz KWQFRXDKZUZAEC-UHFFFAOYSA-N 1 2 284.388 3.334 50 0 CGAALO C[NH+](C)Cc1noc(-c2ccc3c(c2)[nH]c2c3CCCC2)n1 ZINC000067515402 369720315 /nfs/dbraw/zinc/72/03/15/369720315.db2.gz KRHWAZSEQBBLBG-UHFFFAOYSA-N 1 2 296.374 3.158 50 0 CGAALO Cc1cccc(SC2CC[NH+](Cc3ncc[nH]3)CC2)c1 ZINC000065455161 369677762 /nfs/dbraw/zinc/67/77/62/369677762.db2.gz DDMOXFXKEULEKZ-UHFFFAOYSA-N 1 2 287.432 3.475 50 0 CGAALO C[C@@H](c1[nH+]ccn1Cc1ccccn1)c1ccccc1 ZINC000067540092 369720702 /nfs/dbraw/zinc/72/07/02/369720702.db2.gz WELOVAAXCLJQQU-CQSZACIVSA-N 1 2 263.344 3.478 50 0 CGAALO C[N@H+](C/C=C/c1ccco1)Cc1nc2cc(F)ccc2[nH]1 ZINC000067790662 369729153 /nfs/dbraw/zinc/72/91/53/369729153.db2.gz YAILPYPRZYGPBT-DUXPYHPUSA-N 1 2 285.322 3.440 50 0 CGAALO C[N@@H+](C/C=C/c1ccco1)Cc1nc2cc(F)ccc2[nH]1 ZINC000067790662 369729162 /nfs/dbraw/zinc/72/91/62/369729162.db2.gz YAILPYPRZYGPBT-DUXPYHPUSA-N 1 2 285.322 3.440 50 0 CGAALO Cn1cc[nH+]c1CNc1ccccc1C(=O)C1CCCC1 ZINC000095412012 370185376 /nfs/dbraw/zinc/18/53/76/370185376.db2.gz JPXDYSCHCIMQHE-UHFFFAOYSA-N 1 2 283.375 3.405 50 0 CGAALO CCC[C@H](Nc1nccc(C(F)(F)F)n1)c1[nH+]ccn1C ZINC000095383991 370180217 /nfs/dbraw/zinc/18/02/17/370180217.db2.gz VMQJPGRXRWBONM-VIFPVBQESA-N 1 2 299.300 3.182 50 0 CGAALO Cc1cc(N2CCC[C@H]2CC(=O)c2ccccc2)nc[nH+]1 ZINC000097047915 370219119 /nfs/dbraw/zinc/21/91/19/370219119.db2.gz JOMWRDGAYUDSDV-HNNXBMFYSA-N 1 2 281.359 3.027 50 0 CGAALO CC[N@H+](Cc1ccoc1)[C@@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000095430643 370191047 /nfs/dbraw/zinc/19/10/47/370191047.db2.gz MLNFZDQLOVNHAI-LBPRGKRZSA-N 1 2 297.358 3.099 50 0 CGAALO CC[N@@H+](Cc1ccoc1)[C@@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000095430643 370191050 /nfs/dbraw/zinc/19/10/50/370191050.db2.gz MLNFZDQLOVNHAI-LBPRGKRZSA-N 1 2 297.358 3.099 50 0 CGAALO CC(C)(C)Oc1cc[nH+]cc1NCC1=CCCOC1 ZINC000095436195 370192952 /nfs/dbraw/zinc/19/29/52/370192952.db2.gz NEWSGAGYHUWBHL-UHFFFAOYSA-N 1 2 262.353 3.018 50 0 CGAALO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c1C ZINC000103353416 370323834 /nfs/dbraw/zinc/32/38/34/370323834.db2.gz XMGWSSOZYKLIFM-ZWNOBZJWSA-N 1 2 290.407 3.137 50 0 CGAALO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@H+]2CCC[C@@H](C)C2)c1C ZINC000103353416 370323845 /nfs/dbraw/zinc/32/38/45/370323845.db2.gz XMGWSSOZYKLIFM-ZWNOBZJWSA-N 1 2 290.407 3.137 50 0 CGAALO CC1(C)CN(c2cc(CO)cc[nH+]2)C[C@H]1c1ccccc1 ZINC000426537457 372163739 /nfs/dbraw/zinc/16/37/39/372163739.db2.gz JBBXIMCLLUOXPC-INIZCTEOSA-N 1 2 282.387 3.204 50 0 CGAALO CCCc1ccccc1NC(=O)N(C)Cc1[nH]cc(C)[nH+]1 ZINC000299760448 373609645 /nfs/dbraw/zinc/60/96/45/373609645.db2.gz HYUPPJCDSUKXCO-UHFFFAOYSA-N 1 2 286.379 3.335 50 0 CGAALO CCC[C@@H](NC(=O)c1sccc1C)c1[nH+]ccn1C ZINC000299793452 373614242 /nfs/dbraw/zinc/61/42/42/373614242.db2.gz HQHDXFODHYEPEP-LLVKDONJSA-N 1 2 277.393 3.061 50 0 CGAALO Cc1nnc(C[NH+]2CCC(=Cc3ccccc3)CC2)o1 ZINC000089736345 541954599 /nfs/dbraw/zinc/95/45/99/541954599.db2.gz IYRMBPWQOHFTGZ-UHFFFAOYSA-N 1 2 269.348 3.057 50 0 CGAALO CCc1cccc(NC(=O)C[N@H+](C)[C@H](C)c2cccnc2)c1 ZINC000093234086 541981310 /nfs/dbraw/zinc/98/13/10/541981310.db2.gz SBKGNLJKEBOOIE-CQSZACIVSA-N 1 2 297.402 3.276 50 0 CGAALO CCc1cccc(NC(=O)C[N@@H+](C)[C@H](C)c2cccnc2)c1 ZINC000093234086 541981312 /nfs/dbraw/zinc/98/13/12/541981312.db2.gz SBKGNLJKEBOOIE-CQSZACIVSA-N 1 2 297.402 3.276 50 0 CGAALO C[C@H](NCC(F)(F)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000189909343 375458540 /nfs/dbraw/zinc/45/85/40/375458540.db2.gz AXTQLFODNCSJSK-JTQLQIEISA-N 1 2 269.270 3.085 50 0 CGAALO COc1cc2c(c(CNc3cc[nH+]cc3F)c1)O[C@@H](C)C2 ZINC000192149334 375702913 /nfs/dbraw/zinc/70/29/13/375702913.db2.gz ZSFBEFKZCBESPJ-JTQLQIEISA-N 1 2 288.322 3.165 50 0 CGAALO Cc1nnc(C[N@@H+]2CC[C@@H](c3cccc(Cl)c3)C2)s1 ZINC000336131967 375711441 /nfs/dbraw/zinc/71/14/41/375711441.db2.gz RFNKPFSRCMYWGU-GFCCVEGCSA-N 1 2 293.823 3.489 50 0 CGAALO Cc1nnc(C[N@H+]2CC[C@@H](c3cccc(Cl)c3)C2)s1 ZINC000336131967 375711446 /nfs/dbraw/zinc/71/14/46/375711446.db2.gz RFNKPFSRCMYWGU-GFCCVEGCSA-N 1 2 293.823 3.489 50 0 CGAALO C[NH2+]CC(F)(F)c1ncc(C(F)(F)F)cc1Cl ZINC000261494890 190039762 /nfs/dbraw/zinc/03/97/62/190039762.db2.gz PYOWTFJJZRXXIW-UHFFFAOYSA-N 1 2 274.620 3.065 50 0 CGAALO c1csc(C[N@@H+]2CCCC[C@H]2c2ccccn2)n1 ZINC000215232771 376146158 /nfs/dbraw/zinc/14/61/58/376146158.db2.gz LXDNVHKPFZTWTE-ZDUSSCGKSA-N 1 2 259.378 3.265 50 0 CGAALO c1csc(C[N@H+]2CCCC[C@H]2c2ccccn2)n1 ZINC000215232771 376146160 /nfs/dbraw/zinc/14/61/60/376146160.db2.gz LXDNVHKPFZTWTE-ZDUSSCGKSA-N 1 2 259.378 3.265 50 0 CGAALO CCn1cc[nH+]c1CN(C)Cc1cc(-c2ccccc2)on1 ZINC000215445473 376148390 /nfs/dbraw/zinc/14/83/90/376148390.db2.gz CSJXUYNZJZBGJT-UHFFFAOYSA-N 1 2 296.374 3.190 50 0 CGAALO Cc1ccc(C[N@@H+](C)Cc2cnc(-c3ccccn3)nc2)o1 ZINC000216548726 376166572 /nfs/dbraw/zinc/16/65/72/376166572.db2.gz XUXMBVPMZYOZOB-UHFFFAOYSA-N 1 2 294.358 3.072 50 0 CGAALO Cc1ccc(C[N@H+](C)Cc2cnc(-c3ccccn3)nc2)o1 ZINC000216548726 376166577 /nfs/dbraw/zinc/16/65/77/376166577.db2.gz XUXMBVPMZYOZOB-UHFFFAOYSA-N 1 2 294.358 3.072 50 0 CGAALO CC(C)c1nnc(C[N@@H+]2C[C@@H](C)[C@@H]2c2ccccc2)n1C ZINC000222085137 376229362 /nfs/dbraw/zinc/22/93/62/376229362.db2.gz PYBXVHUTCHYDNS-CZUORRHYSA-N 1 2 284.407 3.132 50 0 CGAALO CC(C)c1nnc(C[N@H+]2C[C@@H](C)[C@@H]2c2ccccc2)n1C ZINC000222085137 376229364 /nfs/dbraw/zinc/22/93/64/376229364.db2.gz PYBXVHUTCHYDNS-CZUORRHYSA-N 1 2 284.407 3.132 50 0 CGAALO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)C[N@H+](C)C1CC1 ZINC000229738425 376470663 /nfs/dbraw/zinc/47/06/63/376470663.db2.gz GUCKYZIBEVGEGT-SNPRPXQTSA-N 1 2 267.413 3.085 50 0 CGAALO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)C[N@@H+](C)C1CC1 ZINC000229738425 376470668 /nfs/dbraw/zinc/47/06/68/376470668.db2.gz GUCKYZIBEVGEGT-SNPRPXQTSA-N 1 2 267.413 3.085 50 0 CGAALO COCC[N@H+](Cc1cscn1)Cc1ccccc1C ZINC000244773737 376795352 /nfs/dbraw/zinc/79/53/52/376795352.db2.gz PFNKPSHLCFSQCP-UHFFFAOYSA-N 1 2 276.405 3.100 50 0 CGAALO COCC[N@@H+](Cc1cscn1)Cc1ccccc1C ZINC000244773737 376795357 /nfs/dbraw/zinc/79/53/57/376795357.db2.gz PFNKPSHLCFSQCP-UHFFFAOYSA-N 1 2 276.405 3.100 50 0 CGAALO Cc1ccc(C)n1CCC(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000253414650 377689360 /nfs/dbraw/zinc/68/93/60/377689360.db2.gz YCGPMWKVCCICIJ-UHFFFAOYSA-N 1 2 296.374 3.318 50 0 CGAALO CCCn1ccnc1C[N@@H+]1CCN(c2ccccc2)C[C@H]1C ZINC000244691772 256867549 /nfs/dbraw/zinc/86/75/49/256867549.db2.gz JJARYQQKRMCOSC-MRXNPFEDSA-N 1 2 298.434 3.004 50 0 CGAALO CCCn1ccnc1C[N@H+]1CCN(c2ccccc2)C[C@H]1C ZINC000244691772 256867551 /nfs/dbraw/zinc/86/75/51/256867551.db2.gz JJARYQQKRMCOSC-MRXNPFEDSA-N 1 2 298.434 3.004 50 0 CGAALO C[C@@H]([NH2+]Cc1cnn(C)c1)c1c(F)cccc1Cl ZINC000096449297 533467843 /nfs/dbraw/zinc/46/78/43/533467843.db2.gz NVAOUIBFAYTLAW-SECBINFHSA-N 1 2 267.735 3.063 50 0 CGAALO Cc1noc([C@H](C)[NH2+][C@@H](C)c2ccc(Cl)cc2)n1 ZINC000069444274 392174635 /nfs/dbraw/zinc/17/46/35/392174635.db2.gz LZQCRXOOUOWSOE-IUCAKERBSA-N 1 2 265.744 3.443 50 0 CGAALO Fc1ccccc1-c1n[nH]cc1CNc1cc[nH+]cc1F ZINC000192150852 392840338 /nfs/dbraw/zinc/84/03/38/392840338.db2.gz YMGRZAKINQCSTO-UHFFFAOYSA-N 1 2 286.285 3.362 50 0 CGAALO Cc1ccc(C)c(C[N@@H+]2CCN(c3ccccc3)C(=O)C2)c1 ZINC000082109614 135004822 /nfs/dbraw/zinc/00/48/22/135004822.db2.gz JTFDNADKRGIWQU-UHFFFAOYSA-N 1 2 294.398 3.152 50 0 CGAALO Cc1ccc(C)c(C[N@H+]2CCN(c3ccccc3)C(=O)C2)c1 ZINC000082109614 135004824 /nfs/dbraw/zinc/00/48/24/135004824.db2.gz JTFDNADKRGIWQU-UHFFFAOYSA-N 1 2 294.398 3.152 50 0 CGAALO Cc1nnc(C[N@H+](Cc2cccc(Cl)c2)C(C)C)o1 ZINC000047958544 397635758 /nfs/dbraw/zinc/63/57/58/397635758.db2.gz OUBSAWZHVXABCC-UHFFFAOYSA-N 1 2 279.771 3.442 50 0 CGAALO Cc1nnc(C[N@@H+](Cc2cccc(Cl)c2)C(C)C)o1 ZINC000047958544 397635761 /nfs/dbraw/zinc/63/57/61/397635761.db2.gz OUBSAWZHVXABCC-UHFFFAOYSA-N 1 2 279.771 3.442 50 0 CGAALO C[C@H]1C[C@@H]1c1ccc(CN(Cc2[nH+]ccn2C)C2CC2)o1 ZINC000058214060 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369019787 /nfs/dbraw/zinc/01/97/87/369019787.db2.gz PUKHBFLRPBAXEU-UHFFFAOYSA-N 1 2 271.364 3.196 50 0 CGAALO Cc1ccc(C[N@@H+](C)Cc2nc(C3CC3)no2)c(C)c1 ZINC000036391953 369019794 /nfs/dbraw/zinc/01/97/94/369019794.db2.gz PUKHBFLRPBAXEU-UHFFFAOYSA-N 1 2 271.364 3.196 50 0 CGAALO Cc1[nH]ncc1C[NH2+][C@H](C)c1ccc2c(c1)CCCC2 ZINC000037071164 369058177 /nfs/dbraw/zinc/05/81/77/369058177.db2.gz WLZRMDIUIZIWRY-GFCCVEGCSA-N 1 2 269.392 3.448 50 0 CGAALO Clc1ccc(C[NH+]2CCN(c3nccs3)CC2)s1 ZINC000048345400 369342785 /nfs/dbraw/zinc/34/27/85/369342785.db2.gz BEHGQXYFZOOBFK-UHFFFAOYSA-N 1 2 299.852 3.180 50 0 CGAALO Cc1cc(Br)cc(C)c1NCc1[nH]cc[nH+]1 ZINC000049715520 369414962 /nfs/dbraw/zinc/41/49/62/369414962.db2.gz JNMBENGZRGGXCK-UHFFFAOYSA-N 1 2 280.169 3.401 50 0 CGAALO Cc1cc(NCc2ccco2)nc(-c2cccnc2)[nH+]1 ZINC000065387314 369671346 /nfs/dbraw/zinc/67/13/46/369671346.db2.gz YDFDTBIXLGDJQL-UHFFFAOYSA-N 1 2 266.304 3.052 50 0 CGAALO Clc1cccc(-c2nccn2CCc2c[nH]c[nH+]2)c1 ZINC000067649755 369722540 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287.407 3.193 50 0 CGAALO FC(F)(F)C(F)(F)[C@@]1(c2ccccc2)CCC[NH2+]1 ZINC000057330644 303112007 /nfs/dbraw/zinc/11/20/07/303112007.db2.gz LEQQISLDYZBASR-JTQLQIEISA-N 1 2 265.225 3.463 50 0 CGAALO CCCn1c(C[N@H+](C)Cc2ccncc2)nc2ccccc21 ZINC000183737901 189366990 /nfs/dbraw/zinc/36/69/90/189366990.db2.gz BKAFGZQMZZPSEC-UHFFFAOYSA-N 1 2 294.402 3.473 50 0 CGAALO CCCn1c(C[N@@H+](C)Cc2ccncc2)nc2ccccc21 ZINC000183737901 189366991 /nfs/dbraw/zinc/36/69/91/189366991.db2.gz BKAFGZQMZZPSEC-UHFFFAOYSA-N 1 2 294.402 3.473 50 0 CGAALO CC(=O)c1ccc(N2CC[NH+]([C@@H]3CC[C@H](C)C3)CC2)cc1 ZINC000000216034 368317515 /nfs/dbraw/zinc/31/75/15/368317515.db2.gz NTYODQYQJPKUBJ-KBXCAEBGSA-N 1 2 286.419 3.200 50 0 CGAALO OCC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000000210785 368317799 /nfs/dbraw/zinc/31/77/99/368317799.db2.gz NVOMAEBBPJWPLL-AWEZNQCLSA-N 1 2 253.773 3.077 50 0 CGAALO OCC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000000210785 368317802 /nfs/dbraw/zinc/31/78/02/368317802.db2.gz NVOMAEBBPJWPLL-AWEZNQCLSA-N 1 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HUHRFTDCCYUAHY-CHWSQXEVSA-N 1 2 286.375 3.165 50 0 CGAALO CC(=O)Nc1ccc(Cc2[nH]c3ccccc3[nH+]2)cc1 ZINC000000804277 368394696 /nfs/dbraw/zinc/39/46/96/368394696.db2.gz UNILMJWZGCRMGE-UHFFFAOYSA-N 1 2 265.316 3.112 50 0 CGAALO COc1ccc2[nH+]c(N3C[C@H](C)O[C@@H](C)C3)cc(C)c2c1 ZINC000000758182 368394890 /nfs/dbraw/zinc/39/48/90/368394890.db2.gz HUHRFTDCCYUAHY-STQMWFEESA-N 1 2 286.375 3.165 50 0 CGAALO CC1CC[NH+](CC(=O)c2ccccc2Cl)CC1 ZINC000003288626 368500832 /nfs/dbraw/zinc/50/08/32/368500832.db2.gz IBJAMRWYBLZKQF-UHFFFAOYSA-N 1 2 251.757 3.255 50 0 CGAALO Fc1ccc(N[C@H]2CCC[N@H+](Cc3ccon3)C2)cc1F ZINC000012432336 368613034 /nfs/dbraw/zinc/61/30/34/368613034.db2.gz FUSVMBBCNPHQMP-LBPRGKRZSA-N 1 2 293.317 3.029 50 0 CGAALO Fc1ccc(N[C@H]2CCC[N@@H+](Cc3ccon3)C2)cc1F ZINC000012432336 368613040 /nfs/dbraw/zinc/61/30/40/368613040.db2.gz FUSVMBBCNPHQMP-LBPRGKRZSA-N 1 2 293.317 3.029 50 0 CGAALO O=C(N[C@@H](Cc1[nH]cc[nH+]1)c1ccccc1)[C@H]1CC=CCC1 ZINC000012529373 368617426 /nfs/dbraw/zinc/61/74/26/368617426.db2.gz TXZDHZIGPVGKLG-HOTGVXAUSA-N 1 2 295.386 3.166 50 0 CGAALO Clc1ccccc1CN1CC[NH+](Cc2ccco2)CC1 ZINC000019781575 368766198 /nfs/dbraw/zinc/76/61/98/368766198.db2.gz IZQPPBUMCXOCEL-UHFFFAOYSA-N 1 2 290.794 3.251 50 0 CGAALO Clc1ccccc1C[NH+]1CCN(Cc2ccco2)CC1 ZINC000019781575 368766201 /nfs/dbraw/zinc/76/62/01/368766201.db2.gz IZQPPBUMCXOCEL-UHFFFAOYSA-N 1 2 290.794 3.251 50 0 CGAALO CCn1c2ccccc2n(CCOc2ccccc2C)c1=[NH2+] ZINC000019815299 368768503 /nfs/dbraw/zinc/76/85/03/368768503.db2.gz KROXVURCOAOYQU-UHFFFAOYSA-N 1 2 295.386 3.330 50 0 CGAALO CCC12CN3CC(CC)(C[NH+](C1)C3c1ccc(C)cc1)C2=O ZINC000019323267 368748847 /nfs/dbraw/zinc/74/88/47/368748847.db2.gz SHGASGUGAPXGOY-UHFFFAOYSA-N 1 2 298.430 3.000 50 0 biogenic CGAALO C[C@@H](c1nc(C(C)(C)C)no1)[N@@H+]1CCc2ccccc2C1 ZINC000023903511 368824940 /nfs/dbraw/zinc/82/49/40/368824940.db2.gz BBNJFYNOJRDAKR-LBPRGKRZSA-N 1 2 285.391 3.486 50 0 CGAALO C[C@@H](c1nc(C(C)(C)C)no1)[N@H+]1CCc2ccccc2C1 ZINC000023903511 368824945 /nfs/dbraw/zinc/82/49/45/368824945.db2.gz BBNJFYNOJRDAKR-LBPRGKRZSA-N 1 2 285.391 3.486 50 0 CGAALO C[C@H](NC(=O)C(C)(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000027680301 368876018 /nfs/dbraw/zinc/87/60/18/368876018.db2.gz PLWYVDZPIJBOSA-LBPRGKRZSA-N 1 2 271.364 3.096 50 0 CGAALO C[C@@H]1CCC[N@H+](Cc2nc3ccc(Cl)cc3[nH]2)C1 ZINC000033559736 368966770 /nfs/dbraw/zinc/96/67/70/368966770.db2.gz SPGKLFIXNAGNAN-SNVBAGLBSA-N 1 2 263.772 3.448 50 0 CGAALO C[C@@H]1CCC[N@@H+](Cc2nc3ccc(Cl)cc3[nH]2)C1 ZINC000033559736 368966774 /nfs/dbraw/zinc/96/67/74/368966774.db2.gz SPGKLFIXNAGNAN-SNVBAGLBSA-N 1 2 263.772 3.448 50 0 CGAALO CCCC(CCC)Nc1ccc(N2CCOCC2)[nH+]c1 ZINC000037076066 369059668 /nfs/dbraw/zinc/05/96/68/369059668.db2.gz HFMWEUXPFUDBIF-UHFFFAOYSA-N 1 2 277.412 3.299 50 0 CGAALO Cc1nnc(C[N@@H+](C)Cc2ccc(C(C)(C)C)cc2)o1 ZINC000058064305 369553516 /nfs/dbraw/zinc/55/35/16/369553516.db2.gz WYFYBACXXIGGOQ-UHFFFAOYSA-N 1 2 273.380 3.308 50 0 CGAALO Cc1nnc(C[N@H+](C)Cc2ccc(C(C)(C)C)cc2)o1 ZINC000058064305 369553523 /nfs/dbraw/zinc/55/35/23/369553523.db2.gz WYFYBACXXIGGOQ-UHFFFAOYSA-N 1 2 273.380 3.308 50 0 CGAALO Cn1cc(C[N@H+](Cc2ccc(Cl)cc2F)C2CC2)cn1 ZINC000067649573 369722250 /nfs/dbraw/zinc/72/22/50/369722250.db2.gz WSMNSXAZSKWREU-UHFFFAOYSA-N 1 2 293.773 3.377 50 0 CGAALO Cn1cc(C[N@@H+](Cc2ccc(Cl)cc2F)C2CC2)cn1 ZINC000067649573 369722252 /nfs/dbraw/zinc/72/22/52/369722252.db2.gz WSMNSXAZSKWREU-UHFFFAOYSA-N 1 2 293.773 3.377 50 0 CGAALO Cc1ccc([C@H](C)N(C)c2[nH+]cnc3c2cnn3C)c(C)c1 ZINC000065410982 369673903 /nfs/dbraw/zinc/67/39/03/369673903.db2.gz ZPYPEQYHWZNCJE-ZDUSSCGKSA-N 1 2 295.390 3.178 50 0 CGAALO Cc1cccc2[nH+]c(CNc3ncnc4sccc43)cn21 ZINC000068772507 369747651 /nfs/dbraw/zinc/74/76/51/369747651.db2.gz ZLQDBRYATFPWCA-UHFFFAOYSA-N 1 2 295.371 3.260 50 0 CGAALO COc1ccc2c(c1)[nH+]ccc2OCc1noc(C2CC2)n1 ZINC000072921148 369844706 /nfs/dbraw/zinc/84/47/06/369844706.db2.gz BNJKVOBRLXOEBB-UHFFFAOYSA-N 1 2 297.314 3.083 50 0 CGAALO Cn1c2ccc(NC(=O)c3ccco3)cc2[nH+]c1C1CC1 ZINC000074985844 369894041 /nfs/dbraw/zinc/89/40/41/369894041.db2.gz UKMVHSIQIVIEJX-UHFFFAOYSA-N 1 2 281.315 3.296 50 0 CGAALO Cc1noc(C)c1COc1cccc(-n2cc[nH+]c2)c1 ZINC000081182127 369995046 /nfs/dbraw/zinc/99/50/46/369995046.db2.gz SDFWQOPEDAOWQO-UHFFFAOYSA-N 1 2 269.304 3.056 50 0 CGAALO C[C@@]1(c2ccccc2)CCCN(c2cc(CO)cc[nH+]2)C1 ZINC000095372475 370179299 /nfs/dbraw/zinc/17/92/99/370179299.db2.gz GMPMPROUBQXBOZ-GOSISDBHSA-N 1 2 282.387 3.132 50 0 CGAALO Clc1cc2cccnc2c(CN2CCn3cc[nH+]c3C2)c1 ZINC000097201295 370232352 /nfs/dbraw/zinc/23/23/52/370232352.db2.gz OTZYQWSTOUQNOK-UHFFFAOYSA-N 1 2 298.777 3.101 50 0 CGAALO O=C(C[C@@H]1CCCN1c1cc[nH+]c(C2CC2)n1)c1ccco1 ZINC000095467664 370198100 /nfs/dbraw/zinc/19/81/00/370198100.db2.gz CXVCZSUZUXYSMJ-ZDUSSCGKSA-N 1 2 297.358 3.189 50 0 CGAALO CN(Cc1[nH]cc[nH+]1)C(=O)NC1CC(C)(C)CC(C)(C)C1 ZINC000426405427 372156817 /nfs/dbraw/zinc/15/68/17/372156817.db2.gz ACCOCNLYKCVMIB-UHFFFAOYSA-N 1 2 292.427 3.156 50 0 CGAALO Cc1nnc(C[N@@H+]2CC[C@@H](c3ccccc3Cl)C2)s1 ZINC000299763810 373609480 /nfs/dbraw/zinc/60/94/80/373609480.db2.gz DJVBCGIZIGTYHO-LLVKDONJSA-N 1 2 293.823 3.489 50 0 CGAALO Cc1nnc(C[N@H+]2CC[C@@H](c3ccccc3Cl)C2)s1 ZINC000299763810 373609488 /nfs/dbraw/zinc/60/94/88/373609488.db2.gz DJVBCGIZIGTYHO-LLVKDONJSA-N 1 2 293.823 3.489 50 0 CGAALO Cc1ncsc1C[N@H+](C)Cc1cc(-c2ccccc2)n[nH]1 ZINC000179430060 373871830 /nfs/dbraw/zinc/87/18/30/373871830.db2.gz AFBLARYFOZPLCB-UHFFFAOYSA-N 1 2 298.415 3.474 50 0 CGAALO Cc1ncsc1C[N@@H+](C)Cc1cc(-c2ccccc2)n[nH]1 ZINC000179430060 373871841 /nfs/dbraw/zinc/87/18/41/373871841.db2.gz AFBLARYFOZPLCB-UHFFFAOYSA-N 1 2 298.415 3.474 50 0 CGAALO Clc1ccc(CN2CCc3c([nH+]cn3C3CC3)C2)s1 ZINC000089800130 541955124 /nfs/dbraw/zinc/95/51/24/541955124.db2.gz XFAQDXZGKKRMSH-UHFFFAOYSA-N 1 2 293.823 3.491 50 0 CGAALO Cc1cc(NC(=O)N2CCc3ccccc3CC2)cc[nH+]1 ZINC000095981951 541992455 /nfs/dbraw/zinc/99/24/55/541992455.db2.gz YPEVYPRCWODKRK-UHFFFAOYSA-N 1 2 281.359 3.023 50 0 CGAALO Cc1occc1C(=O)N1CCCn2cc[nH+]c2[C@@H]1C(C)C ZINC000257186456 377796817 /nfs/dbraw/zinc/79/68/17/377796817.db2.gz KLKFURUFWVEKOE-AWEZNQCLSA-N 1 2 287.363 3.028 50 0 CGAALO C[N@H+](Cc1c(Cl)ccc(O)c1Cl)CC(C)(C)CO ZINC000670456401 543155479 /nfs/dbraw/zinc/15/54/79/543155479.db2.gz MZRDGTSFCSANFY-UHFFFAOYSA-N 1 2 292.206 3.149 50 0 CGAALO C[N@@H+](Cc1c(Cl)ccc(O)c1Cl)CC(C)(C)CO ZINC000670456401 543155482 /nfs/dbraw/zinc/15/54/82/543155482.db2.gz MZRDGTSFCSANFY-UHFFFAOYSA-N 1 2 292.206 3.149 50 0 CGAALO COc1ccc(C2=CC[N@@H+]([C@@H](C)c3nc(C)no3)CC2)cc1 ZINC000044950734 397621037 /nfs/dbraw/zinc/62/10/37/397621037.db2.gz GQUPXWRACANCBC-LBPRGKRZSA-N 1 2 299.374 3.237 50 0 CGAALO COc1ccc(C2=CC[N@H+]([C@@H](C)c3nc(C)no3)CC2)cc1 ZINC000044950734 397621041 /nfs/dbraw/zinc/62/10/41/397621041.db2.gz GQUPXWRACANCBC-LBPRGKRZSA-N 1 2 299.374 3.237 50 0 CGAALO Cc1cc([C@@H]2CCC[N@@H+]2Cc2nc3ccccc3o2)on1 ZINC000047273520 397631482 /nfs/dbraw/zinc/63/14/82/397631482.db2.gz OANLTHGMZNRQKX-ZDUSSCGKSA-N 1 2 283.331 3.461 50 0 CGAALO Cc1cc([C@@H]2CCC[N@H+]2Cc2nc3ccccc3o2)on1 ZINC000047273520 397631485 /nfs/dbraw/zinc/63/14/85/397631485.db2.gz OANLTHGMZNRQKX-ZDUSSCGKSA-N 1 2 283.331 3.461 50 0 CGAALO CCSc1ccc(C(=O)N(C)Cc2[nH]cc(C)[nH+]2)s1 ZINC000020776386 171272175 /nfs/dbraw/zinc/27/21/75/171272175.db2.gz FEFPEKVQKNIZMX-UHFFFAOYSA-N 1 2 295.433 3.164 50 0 CGAALO Cc1cc(C(=O)N(Cc2[nH+]ccn2C)C(C)C)sc1C ZINC000071755520 176260844 /nfs/dbraw/zinc/26/08/44/176260844.db2.gz XOXMZBLNOPIONI-UHFFFAOYSA-N 1 2 291.420 3.149 50 0 CGAALO CCc1cc(N[C@@H](C)Cc2[nH+]cccc2C)n2nccc2n1 ZINC000072134736 176322274 /nfs/dbraw/zinc/32/22/74/176322274.db2.gz GBAVXJPXXCROIQ-ZDUSSCGKSA-N 1 2 295.390 3.038 50 0 CGAALO COc1cccc([C@H]2CCC[N@@H+]2Cc2cscn2)c1 ZINC000072140205 176323477 /nfs/dbraw/zinc/32/34/77/176323477.db2.gz WFBSAVJGKLKORM-OAHLLOKOSA-N 1 2 274.389 3.489 50 0 CGAALO COc1cccc([C@H]2CCC[N@H+]2Cc2cscn2)c1 ZINC000072140205 176323478 /nfs/dbraw/zinc/32/34/78/176323478.db2.gz WFBSAVJGKLKORM-OAHLLOKOSA-N 1 2 274.389 3.489 50 0 CGAALO CC(C)(C)OC(=O)NCc1c(Cl)ccc2[nH+]ccn21 ZINC000078494457 177347304 /nfs/dbraw/zinc/34/73/04/177347304.db2.gz ZPLYIKUZAWDDQP-UHFFFAOYSA-N 1 2 281.743 3.012 50 0 CGAALO CC1(C)C[N@H+](Cc2nccs2)Cc2ccccc2O1 ZINC000288793929 278338225 /nfs/dbraw/zinc/33/82/25/278338225.db2.gz KGCSRJMOFQUJBE-UHFFFAOYSA-N 1 2 274.389 3.316 50 0 CGAALO CC1(C)C[N@@H+](Cc2nccs2)Cc2ccccc2O1 ZINC000288793929 278338227 /nfs/dbraw/zinc/33/82/27/278338227.db2.gz KGCSRJMOFQUJBE-UHFFFAOYSA-N 1 2 274.389 3.316 50 0 CGAALO CCOC(=O)c1ccc2[nH+]c(C)c3c(c2c1)O[C@@H](C)C3 ZINC000000247902 279636154 /nfs/dbraw/zinc/63/61/54/279636154.db2.gz LZZRUXBWUMXCNJ-VIFPVBQESA-N 1 2 271.316 3.043 50 0 biogenic CGAALO c1ccc2c(c1)CC1(CCCCC1)[NH+]=C2N1CCOCC1 ZINC000000039122 304856826 /nfs/dbraw/zinc/85/68/26/304856826.db2.gz WOAIHYHDHGOIQN-UHFFFAOYSA-N 1 2 284.403 3.024 50 0 CGAALO Cc1cc2cc(C(=O)NCc3[nH+]ccn3C(C)C)ccc2o1 ZINC000534671588 328347673 /nfs/dbraw/zinc/34/76/73/328347673.db2.gz NPAJZIYYHCBFQB-UHFFFAOYSA-N 1 2 297.358 3.449 50 0 CGAALO c1nc(CNc2ccc(-c3[nH+]cc4n3CCCC4)cc2)co1 ZINC000192329310 335104433 /nfs/dbraw/zinc/10/44/33/335104433.db2.gz BHFZIHLBVSDHPD-UHFFFAOYSA-N 1 2 294.358 3.487 50 0 CGAALO FC(F)(F)CN1CCC[C@H](c2[nH]c3ccccc3[nH+]2)C1 ZINC000075610345 567894635 /nfs/dbraw/zinc/89/46/35/567894635.db2.gz FRJOGWOVJSQGTP-JTQLQIEISA-N 1 2 283.297 3.305 50 0 CGAALO Cc1cc2[nH+]ccn2c(-c2ccc(N3CCCC3)nc2)c1 ZINC000877871453 635247493 /nfs/dbraw/zinc/24/74/93/635247493.db2.gz QMSLUQDBSPXUJL-UHFFFAOYSA-N 1 2 278.359 3.305 50 0 CGAALO Cc1cnc(C[NH2+][C@@H](C)c2ccc(-c3cncnc3)cc2)o1 ZINC000095985835 185054909 /nfs/dbraw/zinc/05/49/09/185054909.db2.gz BDWPGFINRZJCSS-ZDUSSCGKSA-N 1 2 294.358 3.291 50 0 CGAALO COc1ccc(C)cc1[C@H](C)[NH2+]Cc1ncc(C)o1 ZINC000095984328 185055169 /nfs/dbraw/zinc/05/51/69/185055169.db2.gz IUXNWPYWLPUBIV-LBPRGKRZSA-N 1 2 260.337 3.151 50 0 CGAALO C[N@H+](Cc1cncs1)Cc1ccc(F)cc1F ZINC000096489600 530016960 /nfs/dbraw/zinc/01/69/60/530016960.db2.gz JHAKLRJNMBLGRL-UHFFFAOYSA-N 1 2 254.305 3.053 50 0 CGAALO C[N@@H+](Cc1cncs1)Cc1ccc(F)cc1F ZINC000096489600 530016961 /nfs/dbraw/zinc/01/69/61/530016961.db2.gz JHAKLRJNMBLGRL-UHFFFAOYSA-N 1 2 254.305 3.053 50 0 CGAALO CC(C)([NH2+]Cc1cc[nH]n1)c1ccccc1Br ZINC000179328456 189186618 /nfs/dbraw/zinc/18/66/18/189186618.db2.gz YMUCCNDYZWBQDR-UHFFFAOYSA-N 1 2 294.196 3.197 50 0 CGAALO CC(C)(C)Nc1[nH+]cnc2c1cnn2Cc1ccccc1 ZINC000000103277 368291270 /nfs/dbraw/zinc/29/12/70/368291270.db2.gz IQQCIMXVHHWHQI-UHFFFAOYSA-N 1 2 281.363 3.085 50 0 CGAALO COc1ccc(Cn2c(C)[nH+]c3ccccc32)cc1OC ZINC000000546974 368386750 /nfs/dbraw/zinc/38/67/50/368386750.db2.gz GJVBTEDRBHHFAZ-UHFFFAOYSA-N 1 2 282.343 3.410 50 0 CGAALO CCCCNc1[nH+]cnc2c1cnn2-c1ccc(OC)cc1 ZINC000002376192 368453717 /nfs/dbraw/zinc/45/37/17/368453717.db2.gz FBJALMIECACRHV-UHFFFAOYSA-N 1 2 297.362 3.036 50 0 CGAALO CCCCC(=O)Nc1cc(N(C)C)[nH+]c2ccccc12 ZINC000013116849 368643344 /nfs/dbraw/zinc/64/33/44/368643344.db2.gz WMOYXQAXSRDESI-UHFFFAOYSA-N 1 2 271.364 3.430 50 0 CGAALO C[C@@H]1C[N@@H+](Cc2csc(-c3ccccc3)n2)C[C@H](C)O1 ZINC000013114299 368644267 /nfs/dbraw/zinc/64/42/67/368644267.db2.gz JBDMSOHMESPZMG-BETUJISGSA-N 1 2 288.416 3.419 50 0 CGAALO C[C@@H]1C[N@H+](Cc2csc(-c3ccccc3)n2)C[C@H](C)O1 ZINC000013114299 368644274 /nfs/dbraw/zinc/64/42/74/368644274.db2.gz JBDMSOHMESPZMG-BETUJISGSA-N 1 2 288.416 3.419 50 0 CGAALO Cc1ccsc1C[N@H+](C)Cc1nnc(-c2ccco2)o1 ZINC000015311841 368693151 /nfs/dbraw/zinc/69/31/51/368693151.db2.gz USWOURJZMHFPGY-UHFFFAOYSA-N 1 2 289.360 3.332 50 0 CGAALO Cc1ccsc1C[N@@H+](C)Cc1nnc(-c2ccco2)o1 ZINC000015311841 368693159 /nfs/dbraw/zinc/69/31/59/368693159.db2.gz USWOURJZMHFPGY-UHFFFAOYSA-N 1 2 289.360 3.332 50 0 CGAALO CCN1c2ccccc2[N@@H+](CC(=O)c2ccc(C)cc2)C1=N ZINC000019707142 368760354 /nfs/dbraw/zinc/76/03/54/368760354.db2.gz NBGGTZSABUHPTR-UHFFFAOYSA-N 1 2 293.370 3.133 50 0 CGAALO CCN1c2ccccc2[N@H+](CC(=O)c2ccc(C)cc2)C1=N ZINC000019707142 368760358 /nfs/dbraw/zinc/76/03/58/368760358.db2.gz NBGGTZSABUHPTR-UHFFFAOYSA-N 1 2 293.370 3.133 50 0 CGAALO CC(C)(C)c1ccc(SCC[NH+]2CCOCC2)cc1 ZINC000019899297 368775890 /nfs/dbraw/zinc/77/58/90/368775890.db2.gz DBXPBLBCMBNULS-UHFFFAOYSA-N 1 2 279.449 3.408 50 0 CGAALO CC(C)(C)OC(=O)N1CC[NH2+][C@@H](c2ccc(Cl)cc2)C1 ZINC000019850809 368773827 /nfs/dbraw/zinc/77/38/27/368773827.db2.gz WWWIVVADARKSAS-CYBMUJFWSA-N 1 2 296.798 3.221 50 0 CGAALO C[C@H]1C[NH+](Cc2ccccc2Br)C[C@H](C)O1 ZINC000023115096 368817483 /nfs/dbraw/zinc/81/74/83/368817483.db2.gz AZHJUFXCJAYGSL-QWRGUYRKSA-N 1 2 284.197 3.058 50 0 CGAALO Cc1ccc(C(=O)Nc2cccc(Cn3cc[nH+]c3)c2)o1 ZINC000025170251 368842100 /nfs/dbraw/zinc/84/21/00/368842100.db2.gz ZZLYIUPNUHQIIY-UHFFFAOYSA-N 1 2 281.315 3.085 50 0 CGAALO CCCCNc1[nH+]cnc2c1cnn2-c1ccccc1C ZINC000032620486 368938759 /nfs/dbraw/zinc/93/87/59/368938759.db2.gz MFBZKLUMZSEULD-UHFFFAOYSA-N 1 2 281.363 3.336 50 0 CGAALO Cc1occc1C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000032936636 368954094 /nfs/dbraw/zinc/95/40/94/368954094.db2.gz RUMLEWQJKNJYFL-UHFFFAOYSA-N 1 2 267.288 3.026 50 0 CGAALO CCCCNC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000033040305 368956758 /nfs/dbraw/zinc/95/67/58/368956758.db2.gz LJYYIXPUYLWILH-CYBMUJFWSA-N 1 2 286.379 3.033 50 0 CGAALO C[C@@H]1C(=O)N(c2cccc(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000035798758 369005749 /nfs/dbraw/zinc/00/57/49/369005749.db2.gz ABLXNZUJFHOYRW-CQSZACIVSA-N 1 2 298.361 3.063 50 0 CGAALO C[C@@H]1C(=O)N(c2cccc(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000035798758 369005755 /nfs/dbraw/zinc/00/57/55/369005755.db2.gz ABLXNZUJFHOYRW-CQSZACIVSA-N 1 2 298.361 3.063 50 0 CGAALO O=C(Nc1ccccc1-n1cc[nH+]c1)c1ccc(F)cc1 ZINC000037985199 369132400 /nfs/dbraw/zinc/13/24/00/369132400.db2.gz NBTJRCQZDBPDKD-UHFFFAOYSA-N 1 2 281.290 3.264 50 0 CGAALO C[C@@H]1C[N@@H+](Cc2ncc(-c3ccc(F)cc3)o2)C[C@H](C)O1 ZINC000041363332 369182979 /nfs/dbraw/zinc/18/29/79/369182979.db2.gz IRPGZETVFKTCSJ-TXEJJXNPSA-N 1 2 290.338 3.090 50 0 CGAALO C[C@@H]1C[N@H+](Cc2ncc(-c3ccc(F)cc3)o2)C[C@H](C)O1 ZINC000041363332 369182986 /nfs/dbraw/zinc/18/29/86/369182986.db2.gz IRPGZETVFKTCSJ-TXEJJXNPSA-N 1 2 290.338 3.090 50 0 CGAALO CCc1nc(C[N@H+](Cc2ccccc2)C(C)C)no1 ZINC000054316581 369500512 /nfs/dbraw/zinc/50/05/12/369500512.db2.gz KAGRHGGAZDIYJH-UHFFFAOYSA-N 1 2 259.353 3.043 50 0 CGAALO CCc1nc(C[N@@H+](Cc2ccccc2)C(C)C)no1 ZINC000054316581 369500517 /nfs/dbraw/zinc/50/05/17/369500517.db2.gz KAGRHGGAZDIYJH-UHFFFAOYSA-N 1 2 259.353 3.043 50 0 CGAALO C[N@H+](Cc1noc(C2CC2)n1)[C@@H]1CCc2ccccc21 ZINC000053606438 369486895 /nfs/dbraw/zinc/48/68/95/369486895.db2.gz HCYJLKLXDWMSMX-CQSZACIVSA-N 1 2 269.348 3.066 50 0 CGAALO C[N@@H+](Cc1noc(C2CC2)n1)[C@@H]1CCc2ccccc21 ZINC000053606438 369486898 /nfs/dbraw/zinc/48/68/98/369486898.db2.gz HCYJLKLXDWMSMX-CQSZACIVSA-N 1 2 269.348 3.066 50 0 CGAALO Cc1cc(C[N@@H+](Cc2ccco2)[C@@H](C)C(C)C)n[nH]1 ZINC000055271521 369513181 /nfs/dbraw/zinc/51/31/81/369513181.db2.gz KRZILARWKSRIQU-ZDUSSCGKSA-N 1 2 261.369 3.358 50 0 CGAALO Cc1cc(C[N@H+](Cc2ccco2)[C@@H](C)C(C)C)n[nH]1 ZINC000055271521 369513182 /nfs/dbraw/zinc/51/31/82/369513182.db2.gz KRZILARWKSRIQU-ZDUSSCGKSA-N 1 2 261.369 3.358 50 0 CGAALO CC[N@H+](Cc1ccc(C)o1)Cc1cncn1C(C)C ZINC000219321659 376198268 /nfs/dbraw/zinc/19/82/68/376198268.db2.gz VAPYLFLZWKSKBN-UHFFFAOYSA-N 1 2 261.369 3.388 50 0 CGAALO CC[N@@H+](Cc1ccc(C)o1)Cc1cncn1C(C)C ZINC000219321659 376198275 /nfs/dbraw/zinc/19/82/75/376198275.db2.gz VAPYLFLZWKSKBN-UHFFFAOYSA-N 1 2 261.369 3.388 50 0 CGAALO O=C(Nc1c[nH+]c2n1CCCC2)c1ccc2ncsc2c1 ZINC000067674037 369724365 /nfs/dbraw/zinc/72/43/65/369724365.db2.gz OFGGFUFRYXFXGS-UHFFFAOYSA-N 1 2 298.371 3.081 50 0 CGAALO CC(=O)OCc1c(C)cc(C)c(-c2[nH]cc[nH+]2)c1C ZINC000067805470 369730426 /nfs/dbraw/zinc/73/04/26/369730426.db2.gz KLUBFXRHCZQESX-UHFFFAOYSA-N 1 2 258.321 3.065 50 0 CGAALO CCC[C@@H](Nc1nccc(C(F)(F)F)n1)c1[nH+]ccn1C ZINC000095383992 370180706 /nfs/dbraw/zinc/18/07/06/370180706.db2.gz VMQJPGRXRWBONM-SECBINFHSA-N 1 2 299.300 3.182 50 0 CGAALO CNc1cc(C)[nH+]c(-c2c[nH]c3ccc(C)cc32)n1 ZINC000097173140 370232474 /nfs/dbraw/zinc/23/24/74/370232474.db2.gz TYTUOZKHLSLDMB-UHFFFAOYSA-N 1 2 252.321 3.283 50 0 CGAALO Cc1cc([C@H]2CCC[N@@H+]2Cc2cccc(C)n2)no1 ZINC000097681682 370250396 /nfs/dbraw/zinc/25/03/96/370250396.db2.gz KRTNIZFVMBTWNG-OAHLLOKOSA-N 1 2 257.337 3.024 50 0 CGAALO Cc1cc([C@H]2CCC[N@H+]2Cc2cccc(C)n2)no1 ZINC000097681682 370250401 /nfs/dbraw/zinc/25/04/01/370250401.db2.gz KRTNIZFVMBTWNG-OAHLLOKOSA-N 1 2 257.337 3.024 50 0 CGAALO CCc1nc2c(s1)[C@@H]([NH2+]Cc1cc(C)on1)CCC2 ZINC000095420859 370188032 /nfs/dbraw/zinc/18/80/32/370188032.db2.gz KPDUIMIWIXVHCX-NSHDSACASA-N 1 2 277.393 3.169 50 0 CGAALO COc1ccc2c(c1)OC[C@H](Cc1c[nH+]ccc1C)C2 ZINC000095530802 370201825 /nfs/dbraw/zinc/20/18/25/370201825.db2.gz NHVUPKZZPQVRKG-ZDUSSCGKSA-N 1 2 269.344 3.192 50 0 CGAALO O=C(c1cccc(-n2cc[nH+]c2)c1)N1CCCCCCC1 ZINC000089780891 541955141 /nfs/dbraw/zinc/95/51/41/541955141.db2.gz NEOYYJQQCJZABQ-UHFFFAOYSA-N 1 2 283.375 3.279 50 0 CGAALO CCc1[nH+]c(C)ccc1OCC(=O)N[C@H]1CCCC[C@H]1C ZINC000190776290 375537861 /nfs/dbraw/zinc/53/78/61/375537861.db2.gz JENMIACBAUREMC-DOMZBBRYSA-N 1 2 290.407 3.026 50 0 CGAALO CCC1(CC)Oc2ccc(NCc3c[nH+]cn3C)cc2O1 ZINC000190422422 375507726 /nfs/dbraw/zinc/50/77/26/375507726.db2.gz QVMBHKVQBUHGEF-UHFFFAOYSA-N 1 2 287.363 3.320 50 0 CGAALO COc1cccc(CN2CCCC[C@@H]2c2[nH]cc[nH+]2)c1F ZINC000192946884 375806197 /nfs/dbraw/zinc/80/61/97/375806197.db2.gz ZFQKNDRNZJFWBP-CYBMUJFWSA-N 1 2 289.354 3.285 50 0 CGAALO CSc1ccccc1C[N@H+](C)Cc1cc(C)n[nH]1 ZINC000215952009 376154571 /nfs/dbraw/zinc/15/45/71/376154571.db2.gz HGMAYZKKHREIKX-UHFFFAOYSA-N 1 2 261.394 3.072 50 0 CGAALO CSc1ccccc1C[N@@H+](C)Cc1cc(C)n[nH]1 ZINC000215952009 376154578 /nfs/dbraw/zinc/15/45/78/376154578.db2.gz HGMAYZKKHREIKX-UHFFFAOYSA-N 1 2 261.394 3.072 50 0 CGAALO C[N@H+](Cc1nc(C2CCCCC2)no1)[C@@H]1CCSC1 ZINC000225502981 376315189 /nfs/dbraw/zinc/31/51/89/376315189.db2.gz ABAQZEUGFJRIRV-GFCCVEGCSA-N 1 2 281.425 3.055 50 0 CGAALO C[N@@H+](Cc1nc(C2CCCCC2)no1)[C@@H]1CCSC1 ZINC000225502981 376315193 /nfs/dbraw/zinc/31/51/93/376315193.db2.gz ABAQZEUGFJRIRV-GFCCVEGCSA-N 1 2 281.425 3.055 50 0 CGAALO Clc1ccc2sc(C[NH+]3CCOCC3)cc2c1 ZINC000230138450 376486783 /nfs/dbraw/zinc/48/67/83/376486783.db2.gz KVWOOPDDKPQQIQ-UHFFFAOYSA-N 1 2 267.781 3.387 50 0 CGAALO CN(C(=O)C[N@@H+]1CC[C@H]1c1cccs1)C1CCCCC1 ZINC000244852941 376798143 /nfs/dbraw/zinc/79/81/43/376798143.db2.gz VCJWDYGVYQABQV-AWEZNQCLSA-N 1 2 292.448 3.286 50 0 CGAALO CN(C(=O)C[N@H+]1CC[C@H]1c1cccs1)C1CCCCC1 ZINC000244852941 376798149 /nfs/dbraw/zinc/79/81/49/376798149.db2.gz VCJWDYGVYQABQV-AWEZNQCLSA-N 1 2 292.448 3.286 50 0 CGAALO C[N@H+](CCn1ccc2ccccc21)Cc1nnc(C2CC2)o1 ZINC000244899724 376798827 /nfs/dbraw/zinc/79/88/27/376798827.db2.gz ZOYLWFLBKLAVRJ-UHFFFAOYSA-N 1 2 296.374 3.034 50 0 CGAALO C[N@@H+](CCn1ccc2ccccc21)Cc1nnc(C2CC2)o1 ZINC000244899724 376798836 /nfs/dbraw/zinc/79/88/36/376798836.db2.gz ZOYLWFLBKLAVRJ-UHFFFAOYSA-N 1 2 296.374 3.034 50 0 CGAALO Cc1[nH+]c2ccccc2n1[C@@H]1CCN(C(=O)c2ccco2)C1 ZINC000575615582 377922291 /nfs/dbraw/zinc/92/22/91/377922291.db2.gz DWKZNBOAAIOSNR-CYBMUJFWSA-N 1 2 295.342 3.025 50 0 CGAALO CCn1nccc1C[N@H+](C)Cc1cccc2c1OC(C)(C)C2 ZINC000352369134 379782765 /nfs/dbraw/zinc/78/27/65/379782765.db2.gz NKULTOVXKSKDOV-UHFFFAOYSA-N 1 2 299.418 3.249 50 0 CGAALO CCn1nccc1C[N@@H+](C)Cc1cccc2c1OC(C)(C)C2 ZINC000352369134 379782770 /nfs/dbraw/zinc/78/27/70/379782770.db2.gz NKULTOVXKSKDOV-UHFFFAOYSA-N 1 2 299.418 3.249 50 0 CGAALO COC1CCN(c2cc(-c3ccccc3)cc[nH+]2)CC1 ZINC000408518476 380016301 /nfs/dbraw/zinc/01/63/01/380016301.db2.gz JTWNCILUOPNTHG-UHFFFAOYSA-N 1 2 268.360 3.364 50 0 CGAALO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1Cl ZINC000003394562 391917482 /nfs/dbraw/zinc/91/74/82/391917482.db2.gz IEWWOZFBBWLXJO-LLVKDONJSA-N 1 2 266.772 3.153 50 0 CGAALO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1Cl ZINC000003394562 391917488 /nfs/dbraw/zinc/91/74/88/391917488.db2.gz IEWWOZFBBWLXJO-LLVKDONJSA-N 1 2 266.772 3.153 50 0 CGAALO C[C@@H](NC(=O)C[C@@H]1C=CCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000096432045 392254567 /nfs/dbraw/zinc/25/45/67/392254567.db2.gz UQPWSDDIRJMVGE-HUUCEWRRSA-N 1 2 295.386 3.406 50 0 CGAALO CC[N@H+](Cc1ccco1)[C@H](C)c1nc(C(C)C)no1 ZINC000047929772 397635896 /nfs/dbraw/zinc/63/58/96/397635896.db2.gz QDSASXUWDSWHDN-LLVKDONJSA-N 1 2 263.341 3.369 50 0 CGAALO CC[N@@H+](Cc1ccco1)[C@H](C)c1nc(C(C)C)no1 ZINC000047929772 397635898 /nfs/dbraw/zinc/63/58/98/397635898.db2.gz QDSASXUWDSWHDN-LLVKDONJSA-N 1 2 263.341 3.369 50 0 CGAALO Cc1cccc2nc(C[N@H+](Cc3ccccn3)C(C)C)cn21 ZINC000058218343 397637596 /nfs/dbraw/zinc/63/75/96/397637596.db2.gz AXCZFMKMGJKRFO-UHFFFAOYSA-N 1 2 294.402 3.448 50 0 CGAALO Cc1cccc2nc(C[N@@H+](Cc3ccccn3)C(C)C)cn21 ZINC000058218343 397637598 /nfs/dbraw/zinc/63/75/98/397637598.db2.gz AXCZFMKMGJKRFO-UHFFFAOYSA-N 1 2 294.402 3.448 50 0 CGAALO Clc1cccc2c1OCCC[C@H]2[NH2+]Cc1ncc[nH]1 ZINC000095463791 287123635 /nfs/dbraw/zinc/12/36/35/287123635.db2.gz OGGGFGPGPHQPID-GFCCVEGCSA-N 1 2 277.755 3.067 50 0 CGAALO C[C@@H](CC(=O)Nc1ccc(Cl)cc1)n1cc[nH+]c1 ZINC000008746675 170353943 /nfs/dbraw/zinc/35/39/43/170353943.db2.gz JEXIGMJVWHBCOQ-JTQLQIEISA-N 1 2 263.728 3.126 50 0 CGAALO CCc1[nH+]c2ccccc2n1CC(=O)Nc1ccc(F)cc1 ZINC000009467208 170377635 /nfs/dbraw/zinc/37/76/35/170377635.db2.gz DGYLQCKFCZITRE-UHFFFAOYSA-N 1 2 297.333 3.377 50 0 CGAALO Clc1snnc1C[N@@H+]1CCC[C@H]2CCCC[C@H]21 ZINC000035174443 172027511 /nfs/dbraw/zinc/02/75/11/172027511.db2.gz AYVHRZQQPNWVBR-MWLCHTKSSA-N 1 2 271.817 3.346 50 0 CGAALO Clc1snnc1C[N@H+]1CCC[C@H]2CCCC[C@H]21 ZINC000035174443 172027513 /nfs/dbraw/zinc/02/75/13/172027513.db2.gz AYVHRZQQPNWVBR-MWLCHTKSSA-N 1 2 271.817 3.346 50 0 CGAALO Cc1cc2[nH+]cn(CC(=O)N[C@H](C)c3ccco3)c2cc1C ZINC000040473922 174282180 /nfs/dbraw/zinc/28/21/80/174282180.db2.gz CTLNZASALBROOO-CYBMUJFWSA-N 1 2 297.358 3.124 50 0 CGAALO CCc1noc(C[N@H+](C)[C@@H](C)c2ccc(F)c(F)c2)n1 ZINC000040489671 174290869 /nfs/dbraw/zinc/29/08/69/174290869.db2.gz RBYHVCPBLCPTEK-VIFPVBQESA-N 1 2 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