smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](C(=O)NC[C@H]1CCC[N@H+]1C)c1ccsc1 ZINC000160136967 344457933 /nfs/dbraw/zinc/45/79/33/344457933.db2.gz QAMLWDLRSIWDFX-ZYHUDNBSSA-N 1 1 252.383 2.062 20 70 CEIDMO C[C@@H]1C[C@H](C)CN(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000160740667 344461060 /nfs/dbraw/zinc/46/10/60/344461060.db2.gz YNKLDDWSVCNKNP-VNHYZAJKSA-N 1 1 279.428 2.158 20 70 CEIDMO CCCC(C)(C)NC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000160724901 344461353 /nfs/dbraw/zinc/46/13/53/344461353.db2.gz HSPHVWQIXUWMAL-CYBMUJFWSA-N 1 1 267.417 2.349 20 70 CEIDMO CCOc1ccccc1OCC[N@H+]1CC[C@H](O)[C@H](C)C1 ZINC000159451009 366915259 /nfs/dbraw/zinc/91/52/59/366915259.db2.gz DNAHFXZEGLXNHB-KGLIPLIRSA-N 1 1 279.380 2.167 20 70 CEIDMO CC[N@H+]1CCCN(C(=O)NCc2cccc(F)c2)CC1 ZINC000159590191 366929495 /nfs/dbraw/zinc/92/94/95/366929495.db2.gz XTKMAZBILUADHD-UHFFFAOYSA-N 1 1 279.359 2.063 20 70 CEIDMO Cc1cc(NC(=O)C[N@H+]2CC[C@@H]3CCCC[C@@H]32)on1 ZINC000159591984 366929751 /nfs/dbraw/zinc/92/97/51/366929751.db2.gz KFFJUKLUGRMKJT-RYUDHWBXSA-N 1 1 263.341 2.186 20 70 CEIDMO NC(=O)[C@@H]1CC[N@@H+](Cc2ncc(-c3ccccc3)s2)C1 ZINC000159865030 366955200 /nfs/dbraw/zinc/95/52/00/366955200.db2.gz JGRBXTGFBZYDQF-GFCCVEGCSA-N 1 1 287.388 2.117 20 70 CEIDMO NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1OC1CCCC1 ZINC000160314065 366993110 /nfs/dbraw/zinc/99/31/10/366993110.db2.gz KKBOCBMYIYOTKP-OAHLLOKOSA-N 1 1 288.391 2.458 20 70 CEIDMO NC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1OC1CCCC1 ZINC000160314065 366993116 /nfs/dbraw/zinc/99/31/16/366993116.db2.gz KKBOCBMYIYOTKP-OAHLLOKOSA-N 1 1 288.391 2.458 20 70 CEIDMO Cn1c[nH+]cc1CCNc1nc(C(C)(C)C)ns1 ZINC000160314360 366993328 /nfs/dbraw/zinc/99/33/28/366993328.db2.gz FNUPVIQMLWBCGY-UHFFFAOYSA-N 1 1 265.386 2.224 20 70 CEIDMO Cc1cccc2nc(CN[C@H]3C[C@H](C)[N@H+](C)C[C@@H]3C)cn21 ZINC000160313846 366993827 /nfs/dbraw/zinc/99/38/27/366993827.db2.gz MEYHHPOKSUWWBG-NOLJZWGESA-N 1 1 286.423 2.461 20 70 CEIDMO C[N@@H+]1CCC[C@@H]1C(=O)Nc1cccc(OCCF)c1 ZINC000160613884 367022739 /nfs/dbraw/zinc/02/27/39/367022739.db2.gz COSYVVPEKIFYAK-CYBMUJFWSA-N 1 1 266.316 2.068 20 70 CEIDMO C[N@H+]1CCC[C@@H]1C(=O)Nc1cccc(OCCF)c1 ZINC000160613884 367022742 /nfs/dbraw/zinc/02/27/42/367022742.db2.gz COSYVVPEKIFYAK-CYBMUJFWSA-N 1 1 266.316 2.068 20 70 CEIDMO CCOCCC[N@H+]1CCC[C@@H]1CN1CCCCC1 ZINC000160417094 367003458 /nfs/dbraw/zinc/00/34/58/367003458.db2.gz BLLVTHHCXHSENO-OAHLLOKOSA-N 1 1 254.418 2.363 20 70 CEIDMO CCOCCCN1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000160417094 367003468 /nfs/dbraw/zinc/00/34/68/367003468.db2.gz BLLVTHHCXHSENO-OAHLLOKOSA-N 1 1 254.418 2.363 20 70 CEIDMO COCC[N@H+](Cc1cnc2cnccn12)Cc1ccccc1 ZINC000160441634 367006964 /nfs/dbraw/zinc/00/69/64/367006964.db2.gz GBSNSCVNYXIBNZ-UHFFFAOYSA-N 1 1 296.374 2.378 20 70 CEIDMO COCC[N@@H+](Cc1cnc2cnccn12)Cc1ccccc1 ZINC000160441634 367006968 /nfs/dbraw/zinc/00/69/68/367006968.db2.gz GBSNSCVNYXIBNZ-UHFFFAOYSA-N 1 1 296.374 2.378 20 70 CEIDMO COC(CN1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)OC ZINC000160932381 367043339 /nfs/dbraw/zinc/04/33/39/367043339.db2.gz XODMYVSBTKPAAV-UHFFFAOYSA-N 1 1 292.423 2.202 20 70 CEIDMO COC(C[N@@H+]1CCN(Cc2ccccc2)C(C)(C)C1)OC ZINC000160932381 367043344 /nfs/dbraw/zinc/04/33/44/367043344.db2.gz XODMYVSBTKPAAV-UHFFFAOYSA-N 1 1 292.423 2.202 20 70 CEIDMO COC(C[N@H+]1CCN(Cc2ccccc2)C(C)(C)C1)OC ZINC000160932381 367043350 /nfs/dbraw/zinc/04/33/50/367043350.db2.gz XODMYVSBTKPAAV-UHFFFAOYSA-N 1 1 292.423 2.202 20 70 CEIDMO Cn1cc(C[C@@H]2CC[N@@H+](Cc3cnc4ccccn34)C2)cn1 ZINC000160928196 367044006 /nfs/dbraw/zinc/04/40/06/367044006.db2.gz HAIGFKASNRAFDR-AWEZNQCLSA-N 1 1 295.390 2.132 20 70 CEIDMO Cc1cccc(C)c1NC(=O)C[N@H+](C)[C@@H]1CCCC[C@@H]1O ZINC000161085452 367055266 /nfs/dbraw/zinc/05/52/66/367055266.db2.gz ZWZSRYGVCGGFOI-CABCVRRESA-N 1 1 290.407 2.477 20 70 CEIDMO COCCC1(C(=O)NCC[N@@H+](C)C2CCCCC2)CC1 ZINC000160781299 367033527 /nfs/dbraw/zinc/03/35/27/367033527.db2.gz ALUJVEUGASTLRB-UHFFFAOYSA-N 1 1 282.428 2.184 20 70 CEIDMO Cc1sc2[nH]c(C[N@H+](C)CC3CC3)nc(=O)c2c1C ZINC000161429070 367085253 /nfs/dbraw/zinc/08/52/53/367085253.db2.gz ZLWLICQLJJJFKY-UHFFFAOYSA-N 1 1 277.393 2.443 20 70 CEIDMO Cc1sc2[nH]c(C[N@@H+](C)CC3CC3)nc(=O)c2c1C ZINC000161429070 367085257 /nfs/dbraw/zinc/08/52/57/367085257.db2.gz ZLWLICQLJJJFKY-UHFFFAOYSA-N 1 1 277.393 2.443 20 70 CEIDMO CCOC(=O)[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000217545429 370196991 /nfs/dbraw/zinc/19/69/91/370196991.db2.gz ULFGTOJMKFBBQQ-LSDHHAIUSA-N 1 1 277.364 2.138 20 70 CEIDMO CCOC(=O)[C@@H]1CCCC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000217545429 370196995 /nfs/dbraw/zinc/19/69/95/370196995.db2.gz ULFGTOJMKFBBQQ-LSDHHAIUSA-N 1 1 277.364 2.138 20 70 CEIDMO CC[N@@H+](CCNCc1ccc(OC)cc1F)C1CC1 ZINC000218353716 370208668 /nfs/dbraw/zinc/20/86/68/370208668.db2.gz KUJTWHCGPILPFE-UHFFFAOYSA-N 1 1 266.360 2.408 20 70 CEIDMO CCN(CC[NH2+]Cc1ccc(OC)cc1F)C1CC1 ZINC000218353716 370208671 /nfs/dbraw/zinc/20/86/71/370208671.db2.gz KUJTWHCGPILPFE-UHFFFAOYSA-N 1 1 266.360 2.408 20 70 CEIDMO CC(C)(O)CC[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000159622230 395059356 /nfs/dbraw/zinc/05/93/56/395059356.db2.gz OGUJCIDCIFPHRM-KRWDZBQOSA-N 1 1 275.392 2.321 20 70 CEIDMO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC(=O)Nc3ccccc32)CCN1C ZINC000160537818 395060724 /nfs/dbraw/zinc/06/07/24/395060724.db2.gz BZOWMUOUMPPBOW-RDBSUJKOSA-N 1 1 287.407 2.185 20 70 CEIDMO CC(C)n1ccnc1C[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000160789372 395062177 /nfs/dbraw/zinc/06/21/77/395062177.db2.gz RUPONRODKJVZED-ZDUSSCGKSA-N 1 1 263.385 2.465 20 70 CEIDMO C[C@@H]1CCN(CCn2ccnc2)CC[N@H+]1Cc1ccccc1 ZINC000159863541 162314674 /nfs/dbraw/zinc/31/46/74/162314674.db2.gz PDXVOMUTXYEHLG-QGZVFWFLSA-N 1 1 298.434 2.480 20 70 CEIDMO CCC1(CO)CCN(CCC[NH+]2CCCCC2)CC1 ZINC000161461603 519844162 /nfs/dbraw/zinc/84/41/62/519844162.db2.gz WBTUHBWJCJZRGM-UHFFFAOYSA-N 1 1 268.445 2.347 20 70 CEIDMO CCC1(CO)CC[NH+](CCCN2CCCCC2)CC1 ZINC000161461603 519844166 /nfs/dbraw/zinc/84/41/66/519844166.db2.gz WBTUHBWJCJZRGM-UHFFFAOYSA-N 1 1 268.445 2.347 20 70 CEIDMO CC(C)c1noc(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)n1 ZINC000160768009 519903523 /nfs/dbraw/zinc/90/35/23/519903523.db2.gz LXLAMWPTJLCJSU-DOMZBBRYSA-N 1 1 279.384 2.320 20 70 CEIDMO CC(C)c1noc(C[N@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)n1 ZINC000160768009 519903528 /nfs/dbraw/zinc/90/35/28/519903528.db2.gz LXLAMWPTJLCJSU-DOMZBBRYSA-N 1 1 279.384 2.320 20 70 CEIDMO Cc1nccn1CCC[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000161465339 527416082 /nfs/dbraw/zinc/41/60/82/527416082.db2.gz HSXBNHIECVZGNO-GFCCVEGCSA-N 1 1 251.374 2.081 20 70 CEIDMO CCCC(O)(CCC)CC(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000161310973 528006480 /nfs/dbraw/zinc/00/64/80/528006480.db2.gz RQMFHAZCGHEYIW-CYBMUJFWSA-N 1 1 284.444 2.307 20 70 CEIDMO C[C@H]([NH2+][C@H]1CCCCNC1=O)c1cccc(F)c1F ZINC000159516469 188429134 /nfs/dbraw/zinc/42/91/34/188429134.db2.gz CCKIUEQWWNKBRT-CABZTGNLSA-N 1 1 268.307 2.284 20 70 CEIDMO CCc1ncnc(NCC[N@@H+](C)C2CCCC2)c1F ZINC000218007982 540168766 /nfs/dbraw/zinc/16/87/66/540168766.db2.gz BEZOMZNWNIVUAF-UHFFFAOYSA-N 1 1 266.364 2.464 20 70 CEIDMO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1c(F)cccc1F ZINC000159688147 366940088 /nfs/dbraw/zinc/94/00/88/366940088.db2.gz YIPFCYLYHVPNGV-UWVGGRQHSA-N 1 1 268.307 2.051 20 70 CEIDMO CS[C@H](C)CNC(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000159751487 366945148 /nfs/dbraw/zinc/94/51/48/366945148.db2.gz SLSKCDKMIFRORQ-JHJVBQTASA-N 1 1 287.473 2.158 20 70 CEIDMO C[C@@H](C(=O)N[C@@H]1CCO[C@H](C2CC2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000159392501 366908614 /nfs/dbraw/zinc/90/86/14/366908614.db2.gz YUUJUMPQPDVCNU-ABNPOPBRSA-N 1 1 294.439 2.322 20 70 CEIDMO CCc1ccc([C@H](C)NCC[N@H+](C)CCOC)o1 ZINC000159431932 366912312 /nfs/dbraw/zinc/91/23/12/366912312.db2.gz NTFVFTZRNHXVLX-LBPRGKRZSA-N 1 1 254.374 2.071 20 70 CEIDMO C[C@H](O)C[N@@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000159503172 366919164 /nfs/dbraw/zinc/91/91/64/366919164.db2.gz UOKXUMVCOVHXIE-SRVKXCTJSA-N 1 1 298.814 2.218 20 70 CEIDMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(C)c1F ZINC000159572306 366926916 /nfs/dbraw/zinc/92/69/16/366926916.db2.gz PBUKAJNFRBBDOJ-GFCCVEGCSA-N 1 1 264.344 2.348 20 70 CEIDMO CC[N@H+]1CCC[C@@H]1CNC(=O)C1(CCOC)CCCC1 ZINC000159570252 366927232 /nfs/dbraw/zinc/92/72/32/366927232.db2.gz YYQHLXQKHYOQJY-CQSZACIVSA-N 1 1 282.428 2.184 20 70 CEIDMO CC[N@H+]1CCCN(C(=O)N[C@@H](C)c2cccc(O)c2)CC1 ZINC000159854055 366953405 /nfs/dbraw/zinc/95/34/05/366953405.db2.gz SEENUEBYFSXXLW-ZDUSSCGKSA-N 1 1 291.395 2.190 20 70 CEIDMO CCCCCC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000160059094 366970092 /nfs/dbraw/zinc/97/00/92/366970092.db2.gz ITNYXSCSDRYNCH-UHFFFAOYSA-N 1 1 284.444 2.384 20 70 CEIDMO COC[C@@H](C)N(C)c1cc[nH+]cc1Br ZINC000159960020 366962315 /nfs/dbraw/zinc/96/23/15/366962315.db2.gz OPHPMZDSIALRLG-MRVPVSSYSA-N 1 1 259.147 2.315 20 70 CEIDMO C[N@@H+](CC(=O)N(CC1CC1)CC1CC1)[C@H]1CCSC1 ZINC000159993325 366964072 /nfs/dbraw/zinc/96/40/72/366964072.db2.gz IJWMBWFODHCPQV-AWEZNQCLSA-N 1 1 282.453 2.072 20 70 CEIDMO CCC[N@H+]1CCCN(C(=O)NC2CCCC2)CC1 ZINC000160013495 366965328 /nfs/dbraw/zinc/96/53/28/366965328.db2.gz AUPHHCSZKGMMRX-UHFFFAOYSA-N 1 1 253.390 2.056 20 70 CEIDMO C[NH+](C)CCN1CCC(CNC(=O)CCC(C)(C)C)CC1 ZINC000160140256 366976916 /nfs/dbraw/zinc/97/69/16/366976916.db2.gz RYDCHWGKANFZPS-UHFFFAOYSA-N 1 1 297.487 2.203 20 70 CEIDMO CCCCn1ncc(C(=O)NC[C@@H]2CCC[N@H+]2CC)c1C ZINC000161083980 367055193 /nfs/dbraw/zinc/05/51/93/367055193.db2.gz OHVFBGSUBJMVPL-AWEZNQCLSA-N 1 1 292.427 2.206 20 70 CEIDMO CC(C)c1ccc(C(=O)N2CC[NH+](C(C)C)CC2)cn1 ZINC000161181859 367065417 /nfs/dbraw/zinc/06/54/17/367065417.db2.gz QCIGEEXOIKVWDK-UHFFFAOYSA-N 1 1 275.396 2.371 20 70 CEIDMO CCc1cccc(C)c1NC(=O)C[NH+]1CCC(C)(O)CC1 ZINC000161197104 367067486 /nfs/dbraw/zinc/06/74/86/367067486.db2.gz KJAVNSODXCZGCP-UHFFFAOYSA-N 1 1 290.407 2.343 20 70 CEIDMO Cc1noc(C)c1C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161222823 367070248 /nfs/dbraw/zinc/07/02/48/367070248.db2.gz BPJODKHZLFPOLT-GFCCVEGCSA-N 1 1 292.301 2.427 20 70 CEIDMO CCC(CC)c1cc(C(=O)NC[C@H]2CC[N@@H+](C)C2)on1 ZINC000161303854 367076191 /nfs/dbraw/zinc/07/61/91/367076191.db2.gz DKSPHNYDIWPJSF-LLVKDONJSA-N 1 1 279.384 2.260 20 70 CEIDMO CCCn1c(C)nnc1C[N@@H+]1CCC[C@H]1CSC ZINC000161432224 367086269 /nfs/dbraw/zinc/08/62/69/367086269.db2.gz JHSLPJNHBAKDEL-LBPRGKRZSA-N 1 1 268.430 2.324 20 70 CEIDMO CCCn1c(C)nnc1C[N@H+]1CCC[C@H]1CSC ZINC000161432224 367086273 /nfs/dbraw/zinc/08/62/73/367086273.db2.gz JHSLPJNHBAKDEL-LBPRGKRZSA-N 1 1 268.430 2.324 20 70 CEIDMO CCCn1c(C)nnc1C[N@@H+]1CCC[C@@H]1CSC ZINC000161432088 367086348 /nfs/dbraw/zinc/08/63/48/367086348.db2.gz JHSLPJNHBAKDEL-GFCCVEGCSA-N 1 1 268.430 2.324 20 70 CEIDMO CCCn1c(C)nnc1C[N@H+]1CCC[C@@H]1CSC ZINC000161432088 367086350 /nfs/dbraw/zinc/08/63/50/367086350.db2.gz JHSLPJNHBAKDEL-GFCCVEGCSA-N 1 1 268.430 2.324 20 70 CEIDMO CCOC(=O)[C@H]1CCCC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000217545502 370196811 /nfs/dbraw/zinc/19/68/11/370196811.db2.gz ULFGTOJMKFBBQQ-HUUCEWRRSA-N 1 1 277.364 2.138 20 70 CEIDMO CCOC(=O)[C@H]1CCCC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000217545502 370196813 /nfs/dbraw/zinc/19/68/13/370196813.db2.gz ULFGTOJMKFBBQQ-HUUCEWRRSA-N 1 1 277.364 2.138 20 70 CEIDMO C[N@H+](Cc1cccnc1)C[C@@H](O)c1ccccc1F ZINC000218151997 370207411 /nfs/dbraw/zinc/20/74/11/370207411.db2.gz JRGSHKFQCVKQAW-OAHLLOKOSA-N 1 1 260.312 2.386 20 70 CEIDMO CCC[N@@H+](CC(OC)OC)C[C@H]1COc2ccccc2O1 ZINC000160531695 395060701 /nfs/dbraw/zinc/06/07/01/395060701.db2.gz HULQHXKJZPPJTI-ZDUSSCGKSA-N 1 1 295.379 2.157 20 70 CEIDMO CCn1cnnc1C[NH2+]Cc1cccc2cc[nH]c21 ZINC000218110992 400308298 /nfs/dbraw/zinc/30/82/98/400308298.db2.gz CZGWOKWEIKYIRW-UHFFFAOYSA-N 1 1 255.325 2.069 20 70 CEIDMO C[N@@H+](CCCOc1ccc(F)cc1)[C@@H](CN)C1CC1 ZINC000159978176 162318468 /nfs/dbraw/zinc/31/84/68/162318468.db2.gz HZAUJFUJHNQIOK-HNNXBMFYSA-N 1 1 266.360 2.264 20 70 CEIDMO CN(CCCOc1ccc(F)cc1)[C@@H](C[NH3+])C1CC1 ZINC000159978176 162318470 /nfs/dbraw/zinc/31/84/70/162318470.db2.gz HZAUJFUJHNQIOK-HNNXBMFYSA-N 1 1 266.360 2.264 20 70 CEIDMO CC[C@H]1CCC[C@@H]1NC(=O)N1CCC[N@@H+](CC)CC1 ZINC000159973448 162319101 /nfs/dbraw/zinc/31/91/01/162319101.db2.gz LUHKOAYYUMUAOH-KBPBESRZSA-N 1 1 267.417 2.302 20 70 CEIDMO CC[N@H+]1CCCC[C@H]1CNC(=O)N(C)Cc1cccn1C ZINC000160103833 162324206 /nfs/dbraw/zinc/32/42/06/162324206.db2.gz QHMWLMIYJJPKFU-AWEZNQCLSA-N 1 1 292.427 2.041 20 70 CEIDMO NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(-c2ccccn2)c1 ZINC000160347081 162327978 /nfs/dbraw/zinc/32/79/78/162327978.db2.gz XOWGCERBLLORQV-INIZCTEOSA-N 1 1 281.359 2.198 20 70 CEIDMO Cc1cccc(NC[C@@H]2CC[N@H+](Cc3cnn(C)c3)C2)n1 ZINC000160914864 524681048 /nfs/dbraw/zinc/68/10/48/524681048.db2.gz GQLUAPDCEWGXDY-AWEZNQCLSA-N 1 1 285.395 2.058 20 70 CEIDMO CC(C)OC[C@@H](O)C[N@@H+](CCc1nccs1)C(C)C ZINC000159874496 528011350 /nfs/dbraw/zinc/01/13/50/528011350.db2.gz GSGKBNJCBYGFNH-ZDUSSCGKSA-N 1 1 286.441 2.182 20 70 CEIDMO CCC[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccccn1 ZINC000160855425 528062572 /nfs/dbraw/zinc/06/25/72/528062572.db2.gz HQSLAVPRNWHMAO-XQQFMLRXSA-N 1 1 263.385 2.426 20 70 CEIDMO CC(C)[N@@H+](C)CC(=O)NCCc1cc2ccccc2[nH]1 ZINC000159519797 528811428 /nfs/dbraw/zinc/81/14/28/528811428.db2.gz HMYTZWFEMXGHDT-UHFFFAOYSA-N 1 1 273.380 2.167 20 70 CEIDMO CCS[C@H]1CC[C@@H]([N@@H+](C)CCn2ccnc2)C1 ZINC000159860358 529233349 /nfs/dbraw/zinc/23/33/49/529233349.db2.gz STUQEOMBIDKMRE-OLZOCXBDSA-N 1 1 253.415 2.489 20 70 CEIDMO CCCC(C)(C)NC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000160725041 344461132 /nfs/dbraw/zinc/46/11/32/344461132.db2.gz HSPHVWQIXUWMAL-ZDUSSCGKSA-N 1 1 267.417 2.349 20 70 CEIDMO CCCC[N@@H+](C)CCNc1nc(C(C)C)nc(N(C)C)n1 ZINC000159711905 366941396 /nfs/dbraw/zinc/94/13/96/366941396.db2.gz NJBYFLFVAUWHTB-UHFFFAOYSA-N 1 1 294.447 2.205 20 70 CEIDMO CCOc1cccc(C[N@H+]2CCCC[C@@H]2CCO)n1 ZINC000159725952 366943351 /nfs/dbraw/zinc/94/33/51/366943351.db2.gz BWTIKYKIICYWBY-CQSZACIVSA-N 1 1 264.369 2.217 20 70 CEIDMO CC[N@H+](Cc1cnn(C)c1)Cc1c(C)nc2ccccn21 ZINC000159427048 366912259 /nfs/dbraw/zinc/91/22/59/366912259.db2.gz FYUZONUYQWJHMY-UHFFFAOYSA-N 1 1 283.379 2.398 20 70 CEIDMO CC[N@@H+](Cc1cnn(C)c1)Cc1c(C)nc2ccccn21 ZINC000159427048 366912262 /nfs/dbraw/zinc/91/22/62/366912262.db2.gz FYUZONUYQWJHMY-UHFFFAOYSA-N 1 1 283.379 2.398 20 70 CEIDMO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)c1cccc2[nH]cnc21 ZINC000159433860 366913399 /nfs/dbraw/zinc/91/33/99/366913399.db2.gz KWWJRPWEGKFTOR-GFCCVEGCSA-N 1 1 298.390 2.310 20 70 CEIDMO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1cccc2nc[nH]c21 ZINC000159433860 366913404 /nfs/dbraw/zinc/91/34/04/366913404.db2.gz KWWJRPWEGKFTOR-GFCCVEGCSA-N 1 1 298.390 2.310 20 70 CEIDMO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)c1cccc2nc[nH]c21 ZINC000159433860 366913409 /nfs/dbraw/zinc/91/34/09/366913409.db2.gz KWWJRPWEGKFTOR-GFCCVEGCSA-N 1 1 298.390 2.310 20 70 CEIDMO CCN1CCN(c2ccc(C[NH2+][C@@H](C)C(C)C)cn2)CC1 ZINC000159480579 366918348 /nfs/dbraw/zinc/91/83/48/366918348.db2.gz SOPUAAARCKCSPF-HNNXBMFYSA-N 1 1 290.455 2.358 20 70 CEIDMO CC(C)N(C(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCC[C@@H]1O)C(C)C ZINC000159487989 366918399 /nfs/dbraw/zinc/91/83/99/366918399.db2.gz JBJGGYFKJFIWOK-ILXRZTDVSA-N 1 1 284.444 2.113 20 70 CEIDMO C[C@@H]([NH2+][C@@H](C)c1cccc(F)c1F)C(=O)NC1CC1 ZINC000159491386 366919336 /nfs/dbraw/zinc/91/93/36/366919336.db2.gz VCDMGHSDTJLAKZ-DTWKUNHWSA-N 1 1 268.307 2.283 20 70 CEIDMO C[C@@H](O)C[N@@H+](C)[C@H](C)C(=O)N1c2ccccc2CC[C@@H]1C ZINC000159519861 366922160 /nfs/dbraw/zinc/92/21/60/366922160.db2.gz BOGNYISWLMFCLK-BFHYXJOUSA-N 1 1 290.407 2.055 20 70 CEIDMO COC(=O)CCN1CC[N@@H+](CC2CCC(C)CC2)[C@@H](C)C1 ZINC000159604490 366931384 /nfs/dbraw/zinc/93/13/84/366931384.db2.gz OPXFQDRKVVJDCO-PCKAHOCUSA-N 1 1 296.455 2.382 20 70 CEIDMO CSc1cc(C(=O)N2CC[NH+](C3CC3)CC2)ccc1F ZINC000159668699 366937147 /nfs/dbraw/zinc/93/71/47/366937147.db2.gz GXVLGYCXDZOVQZ-UHFFFAOYSA-N 1 1 294.395 2.468 20 70 CEIDMO CCCNC(=O)c1cccc(C[NH2+][C@@H](C)c2cnccn2)c1 ZINC000160594800 367021527 /nfs/dbraw/zinc/02/15/27/367021527.db2.gz KERPLBANDAOTQT-ZDUSSCGKSA-N 1 1 298.390 2.467 20 70 CEIDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NC1(C)CCC1 ZINC000160374005 366999449 /nfs/dbraw/zinc/99/94/49/366999449.db2.gz VMQDARANIYONST-NSHDSACASA-N 1 1 264.373 2.069 20 70 CEIDMO CCc1cc(=O)[nH]c(C[N@@H+](C)CCc2ccccc2)n1 ZINC000160889696 367040521 /nfs/dbraw/zinc/04/05/21/367040521.db2.gz KDTRHLYIHDUXJQ-UHFFFAOYSA-N 1 1 271.364 2.419 20 70 CEIDMO C[C@@H]1CCC[C@@H](C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000161337363 367080007 /nfs/dbraw/zinc/08/00/07/367080007.db2.gz MENGREFRHAQOIG-HZSPNIEDSA-N 1 1 264.413 2.413 20 70 CEIDMO COC(=O)c1cc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2O)oc1C ZINC000161080379 367055700 /nfs/dbraw/zinc/05/57/00/367055700.db2.gz MEAOFKCAIOFQGT-KGLIPLIRSA-N 1 1 281.352 2.110 20 70 CEIDMO Cc1ccccc1OCC[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000161324698 367077934 /nfs/dbraw/zinc/07/79/34/367077934.db2.gz MSFJKGDBHNEMAK-HUUCEWRRSA-N 1 1 262.397 2.446 20 70 CEIDMO C[C@H]1C[C@@H](Nc2nnc(C(F)(F)F)s2)CC[N@H+]1C ZINC000160177241 395059947 /nfs/dbraw/zinc/05/99/47/395059947.db2.gz ZJURGEJTBHDMIL-BQBZGAKWSA-N 1 1 280.319 2.452 20 70 CEIDMO COc1ccc([C@H]2CC[N@H+](CC(OC)OC)C2)cc1 ZINC000160775760 395062135 /nfs/dbraw/zinc/06/21/35/395062135.db2.gz XVLAANTWEZXZEC-ZDUSSCGKSA-N 1 1 265.353 2.103 20 70 CEIDMO C[C@@H]1CCC[N@H+]1C1CCN(C(=O)NC(C)(C)C)CC1 ZINC000161163248 395063491 /nfs/dbraw/zinc/06/34/91/395063491.db2.gz ZOYZSSSRSCOKOA-GFCCVEGCSA-N 1 1 267.417 2.443 20 70 CEIDMO CC[C@@H](CCO)Nc1cc[nH+]cc1Br ZINC000217994736 153296027 /nfs/dbraw/zinc/29/60/27/153296027.db2.gz YMTKGEKFNWPENV-QMMMGPOBSA-N 1 1 259.147 2.417 20 70 CEIDMO C[C@H](O)C[C@H]1CCCCC[N@H+]1Cc1nnc2n1CCCC2 ZINC000217323389 153298636 /nfs/dbraw/zinc/29/86/36/153298636.db2.gz UJUSKTGCNJCDII-UONOGXRCSA-N 1 1 292.427 2.130 20 70 CEIDMO CC[C@@H](C)[C@@H](C)NC(=O)N1CCC[N@@H+](CC)CC1 ZINC000159750107 162313474 /nfs/dbraw/zinc/31/34/74/162313474.db2.gz PEEGACFSQGXKQT-CHWSQXEVSA-N 1 1 255.406 2.158 20 70 CEIDMO C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000160213759 162325274 /nfs/dbraw/zinc/32/52/74/162325274.db2.gz CJIRUUADFPFTLQ-FMKPAKJESA-N 1 1 294.439 2.325 20 70 CEIDMO CCC[N@H+]1CCCN(C(=O)c2ccnc(SC)c2)CC1 ZINC000160370010 519851030 /nfs/dbraw/zinc/85/10/30/519851030.db2.gz XQCRROXGJIIGST-UHFFFAOYSA-N 1 1 293.436 2.361 20 70 CEIDMO COCC(C)(C)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000160914034 522795580 /nfs/dbraw/zinc/79/55/80/522795580.db2.gz OWKMGXNYOCNQMJ-UKRRQHHQSA-N 1 1 294.439 2.134 20 70 CEIDMO CN(C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)C1CCCCC1 ZINC000160769410 344461068 /nfs/dbraw/zinc/46/10/68/344461068.db2.gz KRJAMSAVGPYEHI-CQSZACIVSA-N 1 1 279.428 2.445 20 70 CEIDMO Cc1cccc([C@@H]2CCC[N@H+]2Cc2nncn2C)c1 ZINC000160829585 344461814 /nfs/dbraw/zinc/46/18/14/344461814.db2.gz QSMPBKPSHIBCNN-AWEZNQCLSA-N 1 1 256.353 2.461 20 70 CEIDMO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2nncn2C)c1 ZINC000160829585 344461816 /nfs/dbraw/zinc/46/18/16/344461816.db2.gz QSMPBKPSHIBCNN-AWEZNQCLSA-N 1 1 256.353 2.461 20 70 CEIDMO CC[C@@H](C)[N@@H+](C)CCNCc1cnc2ccccc2n1 ZINC000218317951 344536322 /nfs/dbraw/zinc/53/63/22/344536322.db2.gz KUKUHKSKGWIHHW-CYBMUJFWSA-N 1 1 272.396 2.450 20 70 CEIDMO C[N@@H+](Cc1nc(C2CCCC2)no1)C[C@H]1CCC[C@@H]1O ZINC000159489351 540410823 /nfs/dbraw/zinc/41/08/23/540410823.db2.gz BDFBHHVBJBGBFP-OLZOCXBDSA-N 1 1 279.384 2.320 20 70 CEIDMO C[N@H+](Cc1nc(C2CCCC2)no1)C[C@H]1CCC[C@@H]1O ZINC000159489351 540410824 /nfs/dbraw/zinc/41/08/24/540410824.db2.gz BDFBHHVBJBGBFP-OLZOCXBDSA-N 1 1 279.384 2.320 20 70 CEIDMO CC[N@H+](CCc1nccs1)CC(=O)N1CCCCCC1 ZINC000159395333 366909257 /nfs/dbraw/zinc/90/92/57/366909257.db2.gz CRXDSEXUQDXYBU-UHFFFAOYSA-N 1 1 295.452 2.410 20 70 CEIDMO CC[N@@H+](CCc1nccs1)CC(=O)N1CCCCCC1 ZINC000159395333 366909263 /nfs/dbraw/zinc/90/92/63/366909263.db2.gz CRXDSEXUQDXYBU-UHFFFAOYSA-N 1 1 295.452 2.410 20 70 CEIDMO C[C@@H]1C[N@@H+](Cc2cnn(-c3ccccc3)c2)CC[C@@H]1O ZINC000159424826 366911455 /nfs/dbraw/zinc/91/14/55/366911455.db2.gz CTXOXEIGBZHEIC-CJNGLKHVSA-N 1 1 271.364 2.075 20 70 CEIDMO CC[N@@H+](CCOC[C@@H]1CCCO1)CCc1nccs1 ZINC000159426898 366911828 /nfs/dbraw/zinc/91/18/28/366911828.db2.gz DCPZQPBBTADQSS-ZDUSSCGKSA-N 1 1 284.425 2.203 20 70 CEIDMO CC(C)(C)OC(=O)N[C@@H]1CCC[N@@H+](CCOCC2CC2)C1 ZINC000159513623 366921693 /nfs/dbraw/zinc/92/16/93/366921693.db2.gz HKKPSABFJLJLMN-CQSZACIVSA-N 1 1 298.427 2.402 20 70 CEIDMO CCC[N@H+]1CC[C@@H](CNC(=O)N[C@@H](C)CC(C)C)C1 ZINC000159763120 366946599 /nfs/dbraw/zinc/94/65/99/366946599.db2.gz RBJXRPOROKEYLJ-KBPBESRZSA-N 1 1 269.433 2.452 20 70 CEIDMO O=C([C@@H]1CSC[NH2+]1)N1CCC(c2ccc(F)cc2)CC1 ZINC000159568256 366926841 /nfs/dbraw/zinc/92/68/41/366926841.db2.gz BXEJLJUQELYVMH-AWEZNQCLSA-N 1 1 294.395 2.194 20 70 CEIDMO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159600158 366930975 /nfs/dbraw/zinc/93/09/75/366930975.db2.gz CXKQUMXPDOPBPS-LEOABGAYSA-N 1 1 296.455 2.257 20 70 CEIDMO Cc1nn(C)c(C)c1NC(=O)C[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000159609165 366931084 /nfs/dbraw/zinc/93/10/84/366931084.db2.gz UXDPIKFXHJSGOC-KBPBESRZSA-N 1 1 290.411 2.240 20 70 CEIDMO Cc1ccc(C[N@@H+]2C[C@H](C(N)=O)CC[C@@H]2C)c(C)c1 ZINC000159603132 366931277 /nfs/dbraw/zinc/93/12/77/366931277.db2.gz GILZHPHPCZTFJI-DZGCQCFKSA-N 1 1 260.381 2.389 20 70 CEIDMO c1cn(CC[N@H+]2CCC[C@H]2c2cccc3c2OCCO3)cn1 ZINC000159801655 366949769 /nfs/dbraw/zinc/94/97/69/366949769.db2.gz YNPBDAUIOFNHDS-HNNXBMFYSA-N 1 1 299.374 2.491 20 70 CEIDMO CCOCCN(C)c1cc[nH+]cc1Br ZINC000159965524 366962548 /nfs/dbraw/zinc/96/25/48/366962548.db2.gz NGZVJQZJBMMFNL-UHFFFAOYSA-N 1 1 259.147 2.317 20 70 CEIDMO NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(-c2ccncc2)c1 ZINC000160342139 366997355 /nfs/dbraw/zinc/99/73/55/366997355.db2.gz SBIQXJSRTVLHGP-MRXNPFEDSA-N 1 1 281.359 2.198 20 70 CEIDMO C[C@H](CNC(=O)C1CCC(C)(C)CC1)C[NH+]1CCOCC1 ZINC000160599374 367020825 /nfs/dbraw/zinc/02/08/25/367020825.db2.gz SZNJAVRKEWCAPX-CQSZACIVSA-N 1 1 296.455 2.287 20 70 CEIDMO CSc1ccc(NC(=O)C[N@H+](C)[C@@H]2CCSC2)nc1 ZINC000160365505 366999426 /nfs/dbraw/zinc/99/94/26/366999426.db2.gz PBRCXTIVEXZIOH-SNVBAGLBSA-N 1 1 297.449 2.179 20 70 CEIDMO CSc1ccc(NC(=O)C[N@@H+](C)[C@@H]2CCSC2)nc1 ZINC000160365505 366999431 /nfs/dbraw/zinc/99/94/31/366999431.db2.gz PBRCXTIVEXZIOH-SNVBAGLBSA-N 1 1 297.449 2.179 20 70 CEIDMO CCN(C)C(=O)NC[C@@H]1CCCC[N@H+]1CC(C)C ZINC000160975699 367047350 /nfs/dbraw/zinc/04/73/50/367047350.db2.gz SUYOPRPVAPOKEW-ZDUSSCGKSA-N 1 1 255.406 2.158 20 70 CEIDMO COC(=O)c1cc(C[N@@H+](C)[C@H]2CCCC[C@@H]2O)oc1C ZINC000161080517 367055110 /nfs/dbraw/zinc/05/51/10/367055110.db2.gz MEAOFKCAIOFQGT-KBPBESRZSA-N 1 1 281.352 2.110 20 70 CEIDMO c1cc2c(c(CN[C@H]3CC[N@H+]4CCCC[C@@H]34)c1)OCO2 ZINC000218480758 370210124 /nfs/dbraw/zinc/21/01/24/370210124.db2.gz PJEXWCWZAIHOGK-KBPBESRZSA-N 1 1 274.364 2.132 20 70 CEIDMO COc1ccc(CNC[C@@H](C)[N@@H+](C)C2CC2)c(F)c1 ZINC000218606553 370211512 /nfs/dbraw/zinc/21/15/12/370211512.db2.gz GWEWCMVJQXPNFH-LLVKDONJSA-N 1 1 266.360 2.407 20 70 CEIDMO COc1ccc(C[NH2+]C[C@@H](C)N(C)C2CC2)c(F)c1 ZINC000218606553 370211517 /nfs/dbraw/zinc/21/15/17/370211517.db2.gz GWEWCMVJQXPNFH-LLVKDONJSA-N 1 1 266.360 2.407 20 70 CEIDMO C[C@@H]1C[N@@H+](C[C@@H]2CCOc3ccccc32)CC[C@@H]1O ZINC000159401774 395058623 /nfs/dbraw/zinc/05/86/23/395058623.db2.gz FJGDYPSBTYKXHB-IPYPFGDCSA-N 1 1 261.365 2.255 20 70 CEIDMO CC(C)(O)[C@@H]1CCC[N@@H+]1CCCN1CCCCC1 ZINC000161445536 395064474 /nfs/dbraw/zinc/06/44/74/395064474.db2.gz ZTDYAUGDZJKRLS-AWEZNQCLSA-N 1 1 254.418 2.098 20 70 CEIDMO CC(C)(O)[C@@H]1CCC[N@H+]1CCCN1CCCCC1 ZINC000161445536 395064476 /nfs/dbraw/zinc/06/44/76/395064476.db2.gz ZTDYAUGDZJKRLS-AWEZNQCLSA-N 1 1 254.418 2.098 20 70 CEIDMO Cc1cc[nH+]c(N2CCN(C(=O)CC(C)C)CC2)c1 ZINC000161288684 297443468 /nfs/dbraw/zinc/44/34/68/297443468.db2.gz NKSMANIYZTZXME-UHFFFAOYSA-N 1 1 261.369 2.085 20 70 CEIDMO CCc1nn(C)c(CC)c1C[NH2+]C[C@H](C)N(CC)CC ZINC000159847741 162315413 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CC(C)c1nnc(C[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)o1 ZINC000161144927 367062356 /nfs/dbraw/zinc/06/23/56/367062356.db2.gz YHIKSFMGRUNELC-IUODEOHRSA-N 1 1 279.384 2.320 20 70 CEIDMO C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)C1 ZINC000161305782 367077263 /nfs/dbraw/zinc/07/72/63/367077263.db2.gz WKUGGOZVWKSHPL-CYZMBNFOSA-N 1 1 294.345 2.136 20 70 CEIDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)NC1CCCCC1 ZINC000160668229 367025460 /nfs/dbraw/zinc/02/54/60/367025460.db2.gz FDBCKSVUIGBHHN-CYBMUJFWSA-N 1 1 253.390 2.055 20 70 CEIDMO COCCC[N@@H+](C)CCNC(=O)C1CCC(C)(C)CC1 ZINC000160683975 367026870 /nfs/dbraw/zinc/02/68/70/367026870.db2.gz QYRPDZPCCJHKPN-UHFFFAOYSA-N 1 1 284.444 2.287 20 70 CEIDMO CC1CCN(C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)CC1 ZINC000160680929 367026994 /nfs/dbraw/zinc/02/69/94/367026994.db2.gz YEKBJQQYYKKQLW-UONOGXRCSA-N 1 1 265.401 2.007 20 70 CEIDMO COC[C@@H](C)[NH2+]Cc1nnc(-c2ccccc2)s1 ZINC000160732685 367029584 /nfs/dbraw/zinc/02/95/84/367029584.db2.gz KJOIKPZHQRJKMK-SNVBAGLBSA-N 1 1 263.366 2.330 20 70 CEIDMO COC(C[N@H+]1CCC[C@H]1C[C@H](O)c1cccs1)OC ZINC000161459035 367088270 /nfs/dbraw/zinc/08/82/70/367088270.db2.gz SZQWQAVSUPGGIH-RYUDHWBXSA-N 1 1 285.409 2.255 20 70 CEIDMO c1ccc2oc(N3CCC[C@@H]3C[NH+]3CCOCC3)nc2c1 ZINC000160410670 285531548 /nfs/dbraw/zinc/53/15/48/285531548.db2.gz CACLXBWRGIAPPN-CYBMUJFWSA-N 1 1 287.363 2.129 20 70 CEIDMO CCC[N@@H+](CC)CCNc1ncnc(CC)c1F ZINC000218054869 153296757 /nfs/dbraw/zinc/29/67/57/153296757.db2.gz TXWFAUPODVOITC-UHFFFAOYSA-N 1 1 254.353 2.322 20 70 CEIDMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](CCCOCC)C1 ZINC000159881244 162315462 /nfs/dbraw/zinc/31/54/62/162315462.db2.gz LIBBCTNJEBMLEZ-LSDHHAIUSA-N 1 1 284.444 2.430 20 70 CEIDMO C[N@@H+](CCCOc1ccc(F)cc1)[C@H](CN)C1CC1 ZINC000159978322 162318985 /nfs/dbraw/zinc/31/89/85/162318985.db2.gz HZAUJFUJHNQIOK-OAHLLOKOSA-N 1 1 266.360 2.264 20 70 CEIDMO CN(CCCOc1ccc(F)cc1)[C@H](C[NH3+])C1CC1 ZINC000159978322 162318987 /nfs/dbraw/zinc/31/89/87/162318987.db2.gz HZAUJFUJHNQIOK-OAHLLOKOSA-N 1 1 266.360 2.264 20 70 CEIDMO CCCCNC(=O)C[N@@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000160018659 162319762 /nfs/dbraw/zinc/31/97/62/162319762.db2.gz YPMQPPLNVFVEPD-OAHLLOKOSA-N 1 1 275.396 2.443 20 70 CEIDMO CCCCNC(=O)C[N@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000160018659 162319766 /nfs/dbraw/zinc/31/97/66/162319766.db2.gz YPMQPPLNVFVEPD-OAHLLOKOSA-N 1 1 275.396 2.443 20 70 CEIDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCOc1ccc(F)cc1F ZINC000160079415 162324299 /nfs/dbraw/zinc/32/42/99/162324299.db2.gz PLLMIVAEBVQARK-RISCZKNCSA-N 1 1 284.350 2.273 20 70 CEIDMO C[C@@H]1CN(C)CC[C@@H]1[NH2+]CCOc1ccc(F)cc1F ZINC000160079415 162324301 /nfs/dbraw/zinc/32/43/01/162324301.db2.gz PLLMIVAEBVQARK-RISCZKNCSA-N 1 1 284.350 2.273 20 70 CEIDMO COc1ncc(Cl)c(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000160244633 162324591 /nfs/dbraw/zinc/32/45/91/162324591.db2.gz DCWPHCLXFDLCCL-NXEZZACHSA-N 1 1 282.775 2.177 20 70 CEIDMO CC[C@@H](C)[NH2+]Cc1ccc(N2CCN(CC)CC2)nc1 ZINC000159514031 297429013 /nfs/dbraw/zinc/42/90/13/297429013.db2.gz OFTMNJUCKNBMPW-CQSZACIVSA-N 1 1 276.428 2.112 20 70 CEIDMO CC[C@@]1(C)C[C@H]1C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000160190691 312637067 /nfs/dbraw/zinc/63/70/67/312637067.db2.gz LTGAJXSVMBEXTI-YOEHRIQHSA-N 1 1 296.455 2.239 20 70 CEIDMO CN(Cc1cnc2ccccn12)C[C@H]1CCC[N@@H+](C)C1 ZINC000160458626 523500298 /nfs/dbraw/zinc/50/02/98/523500298.db2.gz OBYJFIWSLFKANQ-AWEZNQCLSA-N 1 1 272.396 2.108 20 70 CEIDMO CCC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccn1 ZINC000160855164 528057637 /nfs/dbraw/zinc/05/76/37/528057637.db2.gz HQSLAVPRNWHMAO-YNEHKIRRSA-N 1 1 263.385 2.426 20 70 CEIDMO CCCn1nccc1CN[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000160034200 540110238 /nfs/dbraw/zinc/11/02/38/540110238.db2.gz YLXAMUCXCSXUKU-LSDHHAIUSA-N 1 1 262.401 2.010 20 70 CEIDMO Cc1[nH+]ccn1CCCN(C)C(=O)Nc1ccc(C)nc1 ZINC000160578349 540620741 /nfs/dbraw/zinc/62/07/41/540620741.db2.gz GMQZWCCXWDGHOF-UHFFFAOYSA-N 1 1 287.367 2.449 20 70 CEIDMO C[N@H+](Cc1cnc(Cl)s1)C[C@H]1CCC[C@@H]1O ZINC000159555238 366925733 /nfs/dbraw/zinc/92/57/33/366925733.db2.gz BTHAEGCRSRTNIP-SCZZXKLOSA-N 1 1 260.790 2.389 20 70 CEIDMO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1ccc2ncccc2c1 ZINC000159581487 366928162 /nfs/dbraw/zinc/92/81/62/366928162.db2.gz JSXQLKMEPVDSKT-DOMZBBRYSA-N 1 1 283.375 2.321 20 70 CEIDMO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](CCCOCC)C1 ZINC000159615611 366932528 /nfs/dbraw/zinc/93/25/28/366932528.db2.gz BGGKNLGOGFNUGH-HUUCEWRRSA-N 1 1 284.444 2.430 20 70 CEIDMO CN(C)c1cccc(C[N@H+](C)[C@@H](C(N)=O)c2ccccc2)c1 ZINC000159801401 366949828 /nfs/dbraw/zinc/94/98/28/366949828.db2.gz TYWMQOGFKWMXLV-QGZVFWFLSA-N 1 1 297.402 2.411 20 70 CEIDMO CN(C)c1cccc(C[N@@H+](C)[C@@H](C(N)=O)c2ccccc2)c1 ZINC000159801401 366949840 /nfs/dbraw/zinc/94/98/40/366949840.db2.gz TYWMQOGFKWMXLV-QGZVFWFLSA-N 1 1 297.402 2.411 20 70 CEIDMO c1ccc(CCSCC[NH+]2CCOCC2)cc1 ZINC000159969197 366962219 /nfs/dbraw/zinc/96/22/19/366962219.db2.gz HPZMQGHIZXBVGR-UHFFFAOYSA-N 1 1 251.395 2.295 20 70 CEIDMO CNC(=O)[C@H](C)C[N@@H+](C)Cc1ccc(OC)c(Cl)c1 ZINC000160498435 367011361 /nfs/dbraw/zinc/01/13/61/367011361.db2.gz DLWHQHQNMSKYLA-SNVBAGLBSA-N 1 1 284.787 2.163 20 70 CEIDMO CC[N@@H+](Cc1ccc(C(=O)NC2(CO)CC2)cc1)C(C)C ZINC000160512019 367011861 /nfs/dbraw/zinc/01/18/61/367011861.db2.gz OCEGKFXJCVLNSZ-UHFFFAOYSA-N 1 1 290.407 2.172 20 70 CEIDMO CS[C@H](C)CC(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000160891246 367040737 /nfs/dbraw/zinc/04/07/37/367040737.db2.gz RPHPOVLBCRJORL-CYBMUJFWSA-N 1 1 280.437 2.376 20 70 CEIDMO CS[C@@H](C)CC(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000160891105 367040830 /nfs/dbraw/zinc/04/08/30/367040830.db2.gz RPHPOVLBCRJORL-ZDUSSCGKSA-N 1 1 280.437 2.376 20 70 CEIDMO CCC[N@@H+](CCO)Cc1cnc(N(CC)CC)s1 ZINC000161193316 367067515 /nfs/dbraw/zinc/06/75/15/367067515.db2.gz DFEXWLZBOHKSDA-UHFFFAOYSA-N 1 1 271.430 2.194 20 70 CEIDMO CC[C@H](C)OCC(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000160676566 367027343 /nfs/dbraw/zinc/02/73/43/367027343.db2.gz XDUFCAVDNANVEA-AWEZNQCLSA-N 1 1 278.396 2.050 20 70 CEIDMO CC[C@H](C)OCC(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000160752579 367031631 /nfs/dbraw/zinc/03/16/31/367031631.db2.gz UKKHOUNDBWVIEC-MJBXVCDLSA-N 1 1 270.417 2.038 20 70 CEIDMO CC[C@H](C)[N@@H+](C)CCNCc1c[nH]nc1-c1cccnc1 ZINC000217388074 370194791 /nfs/dbraw/zinc/19/47/91/370194791.db2.gz UEILTVGMZIEOPG-ZDUSSCGKSA-N 1 1 287.411 2.292 20 70 CEIDMO CC[C@H](C)N(C)CC[NH2+]Cc1c[nH]nc1-c1cccnc1 ZINC000217388074 370194795 /nfs/dbraw/zinc/19/47/95/370194795.db2.gz UEILTVGMZIEOPG-ZDUSSCGKSA-N 1 1 287.411 2.292 20 70 CEIDMO COc1ccc(CN[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1O ZINC000217646794 370198250 /nfs/dbraw/zinc/19/82/50/370198250.db2.gz MNPPPINGIRWAMS-KBPBESRZSA-N 1 1 276.380 2.117 20 70 CEIDMO COC(=O)c1ccc([C@@H](C)[N@H+]2CCCO[C@@H](C)C2)o1 ZINC000218052835 370203837 /nfs/dbraw/zinc/20/38/37/370203837.db2.gz AERKGEQYRCXWIY-WDEREUQCSA-N 1 1 267.325 2.238 20 70 CEIDMO C[C@H]([NH2+]CCNC(=O)OC(C)(C)C)c1cscn1 ZINC000218238999 370207402 /nfs/dbraw/zinc/20/74/02/370207402.db2.gz BVBIBTHYSONHSB-VIFPVBQESA-N 1 1 271.386 2.318 20 70 CEIDMO CC(C)Cc1ncc(C[N@H+]2C[C@H](C(N)=O)CC[C@@H]2C)s1 ZINC000159709013 162312736 /nfs/dbraw/zinc/31/27/36/162312736.db2.gz ZNZWVCTXLFOTAR-NWDGAFQWSA-N 1 1 295.452 2.427 20 70 CEIDMO C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)c1ccccc1-n1cccn1 ZINC000159787403 162313911 /nfs/dbraw/zinc/31/39/11/162313911.db2.gz PPNYIJAZMGTNEJ-XJKSGUPXSA-N 1 1 298.390 2.144 20 70 CEIDMO CCCCNC(=O)[C@@H]1CCC[N@@H+](CCCOCC)C1 ZINC000159886728 162315235 /nfs/dbraw/zinc/31/52/35/162315235.db2.gz XPADQNCQHINBSH-CQSZACIVSA-N 1 1 270.417 2.041 20 70 CEIDMO Cc1cccc([C@H]2CCC[N@@H+]2CC(=O)N2CCCC2)n1 ZINC000159806998 162316098 /nfs/dbraw/zinc/31/60/98/162316098.db2.gz RAGSZGCHLJFVMN-OAHLLOKOSA-N 1 1 273.380 2.149 20 70 CEIDMO Cc1cccc([C@H]2CCC[N@H+]2CC(=O)N2CCCC2)n1 ZINC000159806998 162316102 /nfs/dbraw/zinc/31/61/02/162316102.db2.gz RAGSZGCHLJFVMN-OAHLLOKOSA-N 1 1 273.380 2.149 20 70 CEIDMO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](CCOCC2CC2)C1 ZINC000159878375 162317063 /nfs/dbraw/zinc/31/70/63/162317063.db2.gz QHGGMUFQXOYPTD-GDBMZVCRSA-N 1 1 296.455 2.430 20 70 CEIDMO Cc1ccc(C[N@@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)nc1 ZINC000160101073 162322643 /nfs/dbraw/zinc/32/26/43/162322643.db2.gz FGTMDCKCBLCDMU-RYUDHWBXSA-N 1 1 274.286 2.278 20 70 CEIDMO Cc1ccc(C[N@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)nc1 ZINC000160101073 162322645 /nfs/dbraw/zinc/32/26/45/162322645.db2.gz FGTMDCKCBLCDMU-RYUDHWBXSA-N 1 1 274.286 2.278 20 70 CEIDMO CC[C@H](C)[N@@H+](C)CCN[C@@H]1CCCc2c1cnn2C ZINC000160148122 270238369 /nfs/dbraw/zinc/23/83/69/270238369.db2.gz IZRBQIGXLIXCKQ-GXTWGEPZSA-N 1 1 264.417 2.117 20 70 CEIDMO CC[C@H](C)N(C)CC[NH2+][C@@H]1CCCc2c1cnn2C ZINC000160148122 270238370 /nfs/dbraw/zinc/23/83/70/270238370.db2.gz IZRBQIGXLIXCKQ-GXTWGEPZSA-N 1 1 264.417 2.117 20 70 CEIDMO CC(C)(C)C1CCC(C[N@H+]2CCO[C@@H](C(N)=O)C2)CC1 ZINC000159900646 278300692 /nfs/dbraw/zinc/30/06/92/278300692.db2.gz FJORLWJKHZVMNC-JXQTWKCFSA-N 1 1 282.428 2.025 20 70 CEIDMO C[C@H](C1CC1)N(C)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000160867120 289399650 /nfs/dbraw/zinc/39/96/50/289399650.db2.gz LKMDPQVYVVHBBT-OCCSQVGLSA-N 1 1 279.428 2.443 20 70 CEIDMO C[C@H]([NH2+][C@H]1CCN(C2CC2)C1=O)c1cccc(F)c1F ZINC000159407156 297428775 /nfs/dbraw/zinc/42/87/75/297428775.db2.gz SOQGSVJOPMXOAT-ZANVPECISA-N 1 1 280.318 2.379 20 70 CEIDMO Cc1[nH+]c2c(n1Cc1noc(C3CC3)n1)CCCC2 ZINC000160729654 312640608 /nfs/dbraw/zinc/64/06/08/312640608.db2.gz PPDOZJXMBCNTPU-UHFFFAOYSA-N 1 1 258.325 2.379 20 70 CEIDMO C(CN1CCCCC1)C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000161273982 518385252 /nfs/dbraw/zinc/38/52/52/518385252.db2.gz BOWBVRSDNUPDFP-HNNXBMFYSA-N 1 1 266.429 2.363 20 70 CEIDMO C(CN1CCCCC1)C[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000161273982 518385255 /nfs/dbraw/zinc/38/52/55/518385255.db2.gz BOWBVRSDNUPDFP-HNNXBMFYSA-N 1 1 266.429 2.363 20 70 CEIDMO COCC(C)(C)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000160914356 522795410 /nfs/dbraw/zinc/79/54/10/522795410.db2.gz OWKMGXNYOCNQMJ-ZFWWWQNUSA-N 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FKUKOJODYUIUJN-GOSISDBHSA-N 1 1 298.434 2.341 20 70 CEIDMO Cn1cc(CCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)cn1 ZINC000161331242 540780066 /nfs/dbraw/zinc/78/00/66/540780066.db2.gz FKUKOJODYUIUJN-GOSISDBHSA-N 1 1 298.434 2.341 20 70 CEIDMO Cn1cc(CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)cn1 ZINC000161331242 540780068 /nfs/dbraw/zinc/78/00/68/540780068.db2.gz FKUKOJODYUIUJN-GOSISDBHSA-N 1 1 298.434 2.341 20 70 CEIDMO Cc1cc(C(=O)N2[C@H](C)C[NH+](C)C[C@H]2C)cc(Cl)n1 ZINC000159422295 366912325 /nfs/dbraw/zinc/91/23/25/366912325.db2.gz UDDRQCQAPPSEEF-GHMZBOCLSA-N 1 1 281.787 2.208 20 70 CEIDMO COc1ccccc1OCC[N@@H+](C)CCOCC1CC1 ZINC000159441105 366913468 /nfs/dbraw/zinc/91/34/68/366913468.db2.gz XGDLLGIJBKUDSQ-UHFFFAOYSA-N 1 1 279.380 2.432 20 70 CEIDMO CCC[N@H+]1CC[C@H](CNC(=O)NCC2(C3CC3)CC2)C1 ZINC000159768267 366946096 /nfs/dbraw/zinc/94/60/96/366946096.db2.gz NGVXXWQDBNWYOR-CYBMUJFWSA-N 1 1 279.428 2.208 20 70 CEIDMO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1C/C=C/c1ccc(F)cc1 ZINC000159627867 366934378 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/nfs/dbraw/zinc/05/83/57/367058357.db2.gz ZFPUKVXGJAUWAA-RYUDHWBXSA-N 1 1 299.440 2.115 20 70 CEIDMO CC(=O)Nc1ccc(CN[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000217651643 370199545 /nfs/dbraw/zinc/19/95/45/370199545.db2.gz CREPVJBHWVZSKS-SJORKVTESA-N 1 1 287.407 2.361 20 70 CEIDMO CC(=O)Nc1ccc(C[NH2+][C@@H]2CCN3CCCC[C@@H]23)cc1 ZINC000217651643 370199549 /nfs/dbraw/zinc/19/95/49/370199549.db2.gz CREPVJBHWVZSKS-SJORKVTESA-N 1 1 287.407 2.361 20 70 CEIDMO CC1CCN(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)CC1 ZINC000160680807 395061788 /nfs/dbraw/zinc/06/17/88/395061788.db2.gz YEKBJQQYYKKQLW-KBPBESRZSA-N 1 1 265.401 2.007 20 70 CEIDMO CC[N@H+](Cc1ccccn1)[C@@H](C)C(=O)NC(C)(C)C ZINC000161054713 400284032 /nfs/dbraw/zinc/28/40/32/400284032.db2.gz GALJJFZHSZZXFX-LBPRGKRZSA-N 1 1 263.385 2.207 20 70 CEIDMO CC[N@@H+](Cc1ccccn1)[C@@H](C)C(=O)NC(C)(C)C ZINC000161054713 400284040 /nfs/dbraw/zinc/28/40/40/400284040.db2.gz GALJJFZHSZZXFX-LBPRGKRZSA-N 1 1 263.385 2.207 20 70 CEIDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(CCn2ccnc2)C1 ZINC000159828176 162315092 /nfs/dbraw/zinc/31/50/92/162315092.db2.gz PXTJCYOUKZCSDN-IAGOWNOFSA-N 1 1 290.455 2.470 20 70 CEIDMO CC(C)C[N@@H+](CCCS(=O)(=O)C(C)C)C1CC1 ZINC000160755734 277379130 /nfs/dbraw/zinc/37/91/30/277379130.db2.gz XFPGXFVVCSQSAA-UHFFFAOYSA-N 1 1 261.431 2.320 20 70 CEIDMO C[N@@H+]1CCN(C(=O)[C@@H]2CCCCO2)[C@H](c2ccccc2)C1 ZINC000160172021 290019910 /nfs/dbraw/zinc/01/99/10/290019910.db2.gz CHEKVHQSYFVEFK-HOTGVXAUSA-N 1 1 288.391 2.071 20 70 CEIDMO C[N@H+]1CCN(C(=O)[C@@H]2CCCCO2)[C@H](c2ccccc2)C1 ZINC000160172021 290019914 /nfs/dbraw/zinc/01/99/14/290019914.db2.gz CHEKVHQSYFVEFK-HOTGVXAUSA-N 1 1 288.391 2.071 20 70 CEIDMO C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)[C@@H]1CCOC1=O ZINC000161235579 522793543 /nfs/dbraw/zinc/79/35/43/522793543.db2.gz PMWXVNWWVRQCLD-MRXNPFEDSA-N 1 1 299.374 2.257 20 70 CEIDMO C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)[C@@H]1CCOC1=O ZINC000161235579 522793555 /nfs/dbraw/zinc/79/35/55/522793555.db2.gz PMWXVNWWVRQCLD-MRXNPFEDSA-N 1 1 299.374 2.257 20 70 CEIDMO OCC[C@@H]1CCCC[N@@H+]1CCCN1CCCCC1 ZINC000161332126 527561377 /nfs/dbraw/zinc/56/13/77/527561377.db2.gz QBUZGVHKQBZSMD-HNNXBMFYSA-N 1 1 254.418 2.099 20 70 CEIDMO OCC[C@@H]1CCCC[N@H+]1CCCN1CCCCC1 ZINC000161332126 527561380 /nfs/dbraw/zinc/56/13/80/527561380.db2.gz QBUZGVHKQBZSMD-HNNXBMFYSA-N 1 1 254.418 2.099 20 70 CEIDMO COc1ccccc1[C@@H]([NH3+])C(=O)NCCCC1CC1 ZINC000159767317 344455530 /nfs/dbraw/zinc/45/55/30/344455530.db2.gz QVROQDMHILJWRX-CQSZACIVSA-N 1 1 262.353 2.001 20 70 CEIDMO C[C@H](CNC(=O)C[C@H](C)c1ccncc1)[N@@H+](C)C1CC1 ZINC000159916589 540439635 /nfs/dbraw/zinc/43/96/35/540439635.db2.gz RWGUBSDWRBJXLM-QWHCGFSZSA-N 1 1 275.396 2.174 20 70 CEIDMO C[C@H](CC(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccncc1 ZINC000161105282 540725596 /nfs/dbraw/zinc/72/55/96/540725596.db2.gz WFPJEGLGOSNXFF-VNHYZAJKSA-N 1 1 287.407 2.317 20 70 CEIDMO C[C@H](O)C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000159442180 366913505 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Cc1ccc(NCCCNC(=O)[C@@H]2CC2(C)C)[nH+]c1 ZINC000160303576 366991871 /nfs/dbraw/zinc/99/18/71/366991871.db2.gz JPBADJRABAMHHH-LBPRGKRZSA-N 1 1 261.369 2.354 20 70 CEIDMO COc1ccc(C[N@H+]2CCC[C@@H]2C(N)=O)c2ccccc12 ZINC000160371822 366999999 /nfs/dbraw/zinc/99/99/99/366999999.db2.gz MRJJSMVWHBYDFE-OAHLLOKOSA-N 1 1 284.359 2.298 20 70 CEIDMO Cc1occc1C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000160480873 367009768 /nfs/dbraw/zinc/00/97/68/367009768.db2.gz UXJKDYSJXKVMDN-CYBMUJFWSA-N 1 1 264.369 2.438 20 70 CEIDMO CNC(=O)CCC[N@@H+](C)CCC(=O)c1ccc(C)cc1 ZINC000161007727 367049332 /nfs/dbraw/zinc/04/93/32/367049332.db2.gz XLJFBROSVWVLLF-UHFFFAOYSA-N 1 1 276.380 2.026 20 70 CEIDMO COC(C[N@@H+](C)[C@H](C)c1sc(C)nc1C)OC ZINC000161005442 367050194 /nfs/dbraw/zinc/05/01/94/367050194.db2.gz MTMWUXPOGIFENJ-SECBINFHSA-N 1 1 258.387 2.372 20 70 CEIDMO COC(C[N@H+]1CC[C@H](Cc2ccc(F)cc2)C1)OC ZINC000161174256 367063996 /nfs/dbraw/zinc/06/39/96/367063996.db2.gz VIRHYLAWVJZZGA-CYBMUJFWSA-N 1 1 267.344 2.309 20 70 CEIDMO Cc1cccc(NC(=O)C[NH+]2CCC(C)(O)CC2)c1C ZINC000161204555 367069003 /nfs/dbraw/zinc/06/90/03/367069003.db2.gz XVODJHNPNYGJGE-UHFFFAOYSA-N 1 1 276.380 2.089 20 70 CEIDMO CC1(O)CC[NH+](Cc2ccn(-c3ccccc3)n2)CC1 ZINC000161233522 367070140 /nfs/dbraw/zinc/07/01/40/367070140.db2.gz FKNWRKKXRHXQKM-UHFFFAOYSA-N 1 1 271.364 2.219 20 70 CEIDMO C[N@@H+](CCNC(=O)[C@@H]1CC1(C)C)Cc1ccccc1 ZINC000160677002 367026749 /nfs/dbraw/zinc/02/67/49/367026749.db2.gz MAXDFSDTFJJHHP-AWEZNQCLSA-N 1 1 260.381 2.281 20 70 CEIDMO Cc1cc(NC(=O)C[N@H+](C)[C@H]2CCSC2)ccc1O ZINC000160688666 367028490 /nfs/dbraw/zinc/02/84/90/367028490.db2.gz KTQXHAIKFDXOPD-LBPRGKRZSA-N 1 1 280.393 2.076 20 70 CEIDMO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]C[C@@H](CO)c1ccccc1 ZINC000161481092 367091031 /nfs/dbraw/zinc/09/10/31/367091031.db2.gz BSBOSVYXRGHKCL-OHFALNGGSA-N 1 1 276.424 2.081 20 70 CEIDMO COc1ccc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1O ZINC000217915118 370203334 /nfs/dbraw/zinc/20/33/34/370203334.db2.gz ALQOLQVXARLNGC-LSDHHAIUSA-N 1 1 290.407 2.317 20 70 CEIDMO CCn1cnnc1C[NH2+]Cc1ccc2ncccc2c1 ZINC000218226604 370206227 /nfs/dbraw/zinc/20/62/27/370206227.db2.gz ZFHQFVSFOJGYQX-UHFFFAOYSA-N 1 1 267.336 2.136 20 70 CEIDMO OCCCC[N@H+](CCCN1CCCCC1)C1CC1 ZINC000161223479 249319740 /nfs/dbraw/zinc/31/97/40/249319740.db2.gz USQORHSCOOWOKA-UHFFFAOYSA-N 1 1 254.418 2.099 20 70 CEIDMO OCCCC[N@@H+](CCCN1CCCCC1)C1CC1 ZINC000161223479 249319742 /nfs/dbraw/zinc/31/97/42/249319742.db2.gz USQORHSCOOWOKA-UHFFFAOYSA-N 1 1 254.418 2.099 20 70 CEIDMO CC1=C(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)CCCO1 ZINC000159720730 395059575 /nfs/dbraw/zinc/05/95/75/395059575.db2.gz LLROANCKXZAIAB-UKRRQHHQSA-N 1 1 278.396 2.014 20 70 CEIDMO CCc1noc([C@H](C)[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)n1 ZINC000160980191 395062625 /nfs/dbraw/zinc/06/26/25/395062625.db2.gz NKRONJVDNGULLU-YWPYICTPSA-N 1 1 279.384 2.320 20 70 CEIDMO CCc1noc([C@H](C)[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)n1 ZINC000160980191 395062628 /nfs/dbraw/zinc/06/26/28/395062628.db2.gz NKRONJVDNGULLU-YWPYICTPSA-N 1 1 279.384 2.320 20 70 CEIDMO CC[C@H](C)[N@@H+](C)CCNCc1ccc2c(c1)OCCO2 ZINC000217382136 153297265 /nfs/dbraw/zinc/29/72/65/153297265.db2.gz HRRNTKPVQKPTQE-ZDUSSCGKSA-N 1 1 278.396 2.278 20 70 CEIDMO CC[C@H](C)N(C)CC[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000217382136 153297269 /nfs/dbraw/zinc/29/72/69/153297269.db2.gz HRRNTKPVQKPTQE-ZDUSSCGKSA-N 1 1 278.396 2.278 20 70 CEIDMO CC(=O)NC[C@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC000159728297 162312873 /nfs/dbraw/zinc/31/28/73/162312873.db2.gz IDRKLMDAXSWMHU-OAHLLOKOSA-N 1 1 252.402 2.415 20 70 CEIDMO Cc1cnn(CCCCC[N@H+]2CCCC[C@@H]2CO)c1 ZINC000159791277 162315796 /nfs/dbraw/zinc/31/57/96/162315796.db2.gz HURRHYBNEGWHQM-OAHLLOKOSA-N 1 1 265.401 2.209 20 70 CEIDMO CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCOC2(CCCC2)C1 ZINC000160109922 162324007 /nfs/dbraw/zinc/32/40/07/162324007.db2.gz VWHCIXKFANAVIS-HUUCEWRRSA-N 1 1 294.439 2.469 20 70 CEIDMO CC1CCN(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000160665909 276194204 /nfs/dbraw/zinc/19/42/04/276194204.db2.gz NKXGXSCOFWTNAR-KGLIPLIRSA-N 1 1 265.401 2.007 20 70 CEIDMO CC1CCN(C(=O)N2CCC[N@H+]3CCC[C@H]3C2)CC1 ZINC000160549887 520982763 /nfs/dbraw/zinc/98/27/63/520982763.db2.gz GNGXJTZQNRECPQ-AWEZNQCLSA-N 1 1 265.401 2.008 20 70 CEIDMO C[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000160653064 344460697 /nfs/dbraw/zinc/46/06/97/344460697.db2.gz KATIKZINILXEJV-UKRRQHHQSA-N 1 1 279.428 2.302 20 70 CEIDMO C[C@H](O)[C@H]1CCCC[N@@H+]1CCCN1CCCCC1 ZINC000161001265 232253335 /nfs/dbraw/zinc/25/33/35/232253335.db2.gz GWBGVLJLKTYJIZ-LSDHHAIUSA-N 1 1 254.418 2.098 20 70 CEIDMO C[C@H](O)[C@H]1CCCC[N@H+]1CCCN1CCCCC1 ZINC000161001265 232253336 /nfs/dbraw/zinc/25/33/36/232253336.db2.gz GWBGVLJLKTYJIZ-LSDHHAIUSA-N 1 1 254.418 2.098 20 70 CEIDMO Cc1ccc(C(=O)CC[N@H+](C)CCNC(=O)C(C)C)cc1 ZINC000161355088 232253500 /nfs/dbraw/zinc/25/35/00/232253500.db2.gz FQHSHBUWAKBODB-UHFFFAOYSA-N 1 1 290.407 2.272 20 70 CEIDMO 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CC[C@@H](C)C[N@@H+](CC)[C@@H](C)C(=O)NC(=O)NCC(C)C ZINC000160521497 367014174 /nfs/dbraw/zinc/01/41/74/367014174.db2.gz SFNCYZXAYSSGPS-OLZOCXBDSA-N 1 1 285.432 2.225 20 70 CEIDMO Cc1[nH+]ccn1CCCN(C)C(=O)NCc1cccs1 ZINC000160900997 367042500 /nfs/dbraw/zinc/04/25/00/367042500.db2.gz LRMGZJMZPRLTAZ-UHFFFAOYSA-N 1 1 292.408 2.485 20 70 CEIDMO COc1ccc(OCC[N@@H+](C)[C@H]2CCCC[C@@H]2O)cc1 ZINC000161077858 367055181 /nfs/dbraw/zinc/05/51/81/367055181.db2.gz WRNKBRBLVOJYIA-HOTGVXAUSA-N 1 1 279.380 2.309 20 70 CEIDMO C[C@H]1C[C@@H]([NH2+]CCc2ccc3c(c2)OCO3)CCN1C ZINC000161113310 367057629 /nfs/dbraw/zinc/05/76/29/367057629.db2.gz WONMZPXSPGHKGK-JSGCOSHPSA-N 1 1 276.380 2.030 20 70 CEIDMO CCc1cccc(NC(=O)C[NH+]2CCC(C)(O)CC2)c1 ZINC000161199539 367067232 /nfs/dbraw/zinc/06/72/32/367067232.db2.gz RQTXEZBKTUOKQU-UHFFFAOYSA-N 1 1 276.380 2.034 20 70 CEIDMO Cc1cccc2c(CCC(=O)NC[C@@H]3CC[N@H+](C)C3)c[nH]c21 ZINC000161308621 367076692 /nfs/dbraw/zinc/07/66/92/367076692.db2.gz MEWPAMHKPPQPOU-AWEZNQCLSA-N 1 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CC[C@H](O)[C@@H]1CCCC[N@H+]1CCCN1CCCCC1 ZINC000161190437 535998054 /nfs/dbraw/zinc/99/80/54/535998054.db2.gz TVEMGJZVWGDMPV-HOTGVXAUSA-N 1 1 268.445 2.488 20 70 CEIDMO C[C@@H](CC(=O)N(C)[C@@H]1CCC[N@@H+](C)C1)c1ccncc1 ZINC000160822871 539279066 /nfs/dbraw/zinc/27/90/66/539279066.db2.gz MVOPRFHVFDZXRU-DZGCQCFKSA-N 1 1 275.396 2.128 20 70 CEIDMO C[C@H](C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)c1cccs1 ZINC000159495481 344454913 /nfs/dbraw/zinc/45/49/13/344454913.db2.gz SLMSVFPIGYACHE-WCQYABFASA-N 1 1 278.421 2.452 20 70 CEIDMO CC(C)CN(CC(C)C)C(=O)C[N@@H+](C)C[C@H]1CCC[C@@H]1O ZINC000159512949 344455087 /nfs/dbraw/zinc/45/50/87/344455087.db2.gz HAAOZXUQJCEXRL-CVEARBPZSA-N 1 1 298.471 2.220 20 70 CEIDMO COc1ccccc1[C@H]([NH3+])C(=O)NCCCC1CC1 ZINC000159767175 344455467 /nfs/dbraw/zinc/45/54/67/344455467.db2.gz QVROQDMHILJWRX-AWEZNQCLSA-N 1 1 262.353 2.001 20 70 CEIDMO CCCCNC(=O)[C@@H]1CCC[N@@H+](CCSCC)C1 ZINC000159885268 344456370 /nfs/dbraw/zinc/45/63/70/344456370.db2.gz KSZDUXONGFGAJP-CYBMUJFWSA-N 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CC[C@]1(C)C[C@H]1C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000160416628 367004213 /nfs/dbraw/zinc/00/42/13/367004213.db2.gz IONAKBSYRCJSRD-QDEZUTFSSA-N 1 1 296.455 2.427 20 70 CEIDMO CC[C@H](C)C[N@@H+](CC)[C@@H](C)C(=O)NC(=O)NCC(C)C ZINC000160521627 367014052 /nfs/dbraw/zinc/01/40/52/367014052.db2.gz SFNCYZXAYSSGPS-STQMWFEESA-N 1 1 285.432 2.225 20 70 CEIDMO C[N@@H+]1CCN(Cc2nc(C3CC3)no2)[C@H](c2ccccc2)C1 ZINC000161343470 367079594 /nfs/dbraw/zinc/07/95/94/367079594.db2.gz IDSQWEKXQJVPMC-HNNXBMFYSA-N 1 1 298.390 2.436 20 70 CEIDMO C[N@H+]1CCN(Cc2nc(C3CC3)no2)[C@H](c2ccccc2)C1 ZINC000161343470 367079600 /nfs/dbraw/zinc/07/96/00/367079600.db2.gz IDSQWEKXQJVPMC-HNNXBMFYSA-N 1 1 298.390 2.436 20 70 CEIDMO CN(CC[N@@H+](C)Cc1ccc(F)cc1)Cc1nccn1C ZINC000161156834 367062784 /nfs/dbraw/zinc/06/27/84/367062784.db2.gz NMYBQDYMHAXDEX-UHFFFAOYSA-N 1 1 290.386 2.123 20 70 CEIDMO O[C@]12CCCC[C@@H]1C[N@@H+](Cc1cn3ccccc3n1)CC2 ZINC000160741582 367031560 /nfs/dbraw/zinc/03/15/60/367031560.db2.gz FFMQJYRIBPPOHU-PBHICJAKSA-N 1 1 285.391 2.461 20 70 CEIDMO COc1ccc(CN[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1OC ZINC000217642442 370199148 /nfs/dbraw/zinc/19/91/48/370199148.db2.gz IIUVGMMUIBDDTA-GJZGRUSLSA-N 1 1 290.407 2.420 20 70 CEIDMO COc1ccc(C[NH2+][C@H]2CCN3CCCC[C@@H]23)cc1OC ZINC000217642442 370199154 /nfs/dbraw/zinc/19/91/54/370199154.db2.gz IIUVGMMUIBDDTA-GJZGRUSLSA-N 1 1 290.407 2.420 20 70 CEIDMO COC(C[N@H+]1CCCC[C@H]1c1cccn1C)OC ZINC000161364433 292079327 /nfs/dbraw/zinc/07/93/27/292079327.db2.gz SZLXJSSLZIPEEV-ZDUSSCGKSA-N 1 1 252.358 2.171 20 70 CEIDMO CCO[C@H](CCNC(=O)N1CCC[N@@H+](CC)CC1)C(C)C ZINC000159937052 162319401 /nfs/dbraw/zinc/31/94/01/162319401.db2.gz RSDLBINHQKFITA-OAHLLOKOSA-N 1 1 299.459 2.175 20 70 CEIDMO COC(C[N@@H+]1C[C@@H](c2ccccc2C)OC[C@H]1C)OC ZINC000161259394 274012985 /nfs/dbraw/zinc/01/29/85/274012985.db2.gz UVCWLQVECODDGJ-HIFRSBDPSA-N 1 1 279.380 2.376 20 70 CEIDMO COC(C[N@H+]1C[C@@H](c2ccccc2C)OC[C@H]1C)OC ZINC000161259394 274012986 /nfs/dbraw/zinc/01/29/86/274012986.db2.gz UVCWLQVECODDGJ-HIFRSBDPSA-N 1 1 279.380 2.376 20 70 CEIDMO CC[N@H+]1CCCN(C(=O)N[C@@H]2CCC[C@H](SC)C2)CC1 ZINC000159874850 276366744 /nfs/dbraw/zinc/36/67/44/276366744.db2.gz NJKSMEAKJBMLPH-KGLIPLIRSA-N 1 1 299.484 2.398 20 70 CEIDMO COC(=O)[C@@H](C)N1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000159479396 297428947 /nfs/dbraw/zinc/42/89/47/297428947.db2.gz JTPAALOOCXSKIC-CHWSQXEVSA-N 1 1 294.370 2.066 20 70 CEIDMO COC(=O)c1ccc(C[N@H+]2CC[C@@H](C(C)C)C2)nc1 ZINC000160596101 522014439 /nfs/dbraw/zinc/01/44/39/522014439.db2.gz MNWBSAROZZOMGI-CYBMUJFWSA-N 1 1 262.353 2.346 20 70 CEIDMO CC[C@@H]1CCCCN1C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000160740166 344461099 /nfs/dbraw/zinc/46/10/99/344461099.db2.gz LWUSZKJNYHJXFO-HUUCEWRRSA-N 1 1 279.428 2.445 20 70 CEIDMO CC1(C)CCCN(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000160727365 344461189 /nfs/dbraw/zinc/46/11/89/344461189.db2.gz KIMUFMXJVQWKIT-AWEZNQCLSA-N 1 1 279.428 2.302 20 70 CEIDMO Cc1cccc([C@H]2CCC[N@H+]2CCN2CCCC2=O)n1 ZINC000159738097 366944584 /nfs/dbraw/zinc/94/45/84/366944584.db2.gz VHXFLYGDZZBTBG-OAHLLOKOSA-N 1 1 273.380 2.149 20 70 CEIDMO Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)O ZINC000159364505 366906013 /nfs/dbraw/zinc/90/60/13/366906013.db2.gz IHPHRWNXTCLEPP-MWLCHTKSSA-N 1 1 284.787 2.288 20 70 CEIDMO Cn1ccnc1CNC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000159371228 366907802 /nfs/dbraw/zinc/90/78/02/366907802.db2.gz COGJAZQRWXDQOD-UHFFFAOYSA-N 1 1 286.423 2.420 20 70 CEIDMO C[C@H](O)C[N@H+](C)[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000159426670 366912119 /nfs/dbraw/zinc/91/21/19/366912119.db2.gz WKZANXNDHZELQC-HOCLYGCPSA-N 1 1 290.407 2.053 20 70 CEIDMO C[C@H](O)C[N@@H+](C)[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000159426670 366912124 /nfs/dbraw/zinc/91/21/24/366912124.db2.gz WKZANXNDHZELQC-HOCLYGCPSA-N 1 1 290.407 2.053 20 70 CEIDMO C[C@@H](O)C[N@@H+](C)[C@@H](C)C(=O)N1c2ccccc2CC[C@H]1C ZINC000159519984 366922244 /nfs/dbraw/zinc/92/22/44/366922244.db2.gz BOGNYISWLMFCLK-MCIONIFRSA-N 1 1 290.407 2.055 20 70 CEIDMO CC[N@H+]1CCCN(C(=O)N[C@@H](C)Cc2cccs2)CC1 ZINC000159640549 366934000 /nfs/dbraw/zinc/93/40/00/366934000.db2.gz LKLFMKZKJUMHRA-ZDUSSCGKSA-N 1 1 295.452 2.416 20 70 CEIDMO CC[N@@H+]1CCc2nc(NC(=O)[C@@H]3CCCCO3)sc2C1 ZINC000159648061 366936083 /nfs/dbraw/zinc/93/60/83/366936083.db2.gz IVVLNIPQVVQPLL-NSHDSACASA-N 1 1 295.408 2.029 20 70 CEIDMO CC[N@H+]1CCc2nc(NC(=O)[C@@H]3CCCCO3)sc2C1 ZINC000159648061 366936088 /nfs/dbraw/zinc/93/60/88/366936088.db2.gz IVVLNIPQVVQPLL-NSHDSACASA-N 1 1 295.408 2.029 20 70 CEIDMO CC[N@H+]1CCCN(C(=O)N[C@H](C)c2cccc(O)c2)CC1 ZINC000159854191 366953132 /nfs/dbraw/zinc/95/31/32/366953132.db2.gz SEENUEBYFSXXLW-CYBMUJFWSA-N 1 1 291.395 2.190 20 70 CEIDMO C[N@@H+](CCn1ccnc1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000159830349 366950800 /nfs/dbraw/zinc/95/08/00/366950800.db2.gz WHDPMENRISVLCB-MRXNPFEDSA-N 1 1 298.390 2.011 20 70 CEIDMO COC(=O)c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)nc1 ZINC000159991100 366964004 /nfs/dbraw/zinc/96/40/04/366964004.db2.gz PUMLLDGHCLZRSJ-BETUJISGSA-N 1 1 260.337 2.100 20 70 CEIDMO CC1=CC[N@@H+](CCC(=O)Nc2cc(N)ccc2F)CC1 ZINC000160220713 366984536 /nfs/dbraw/zinc/98/45/36/366984536.db2.gz VELUHGFFKNIGMM-UHFFFAOYSA-N 1 1 277.343 2.389 20 70 CEIDMO Cc1cccc([C@H](C)[NH2+]C[C@H](O)CN2CCCC2)c1 ZINC000160247418 366985300 /nfs/dbraw/zinc/98/53/00/366985300.db2.gz FEXUQXVCOFMQOU-HOCLYGCPSA-N 1 1 262.397 2.102 20 70 CEIDMO CC(C)c1nccc(N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)n1 ZINC000160427237 367005654 /nfs/dbraw/zinc/00/56/54/367005654.db2.gz ZXBDHQVFKFYTHT-OLZOCXBDSA-N 1 1 262.401 2.376 20 70 CEIDMO CCc1nnc([C@H](C)[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)o1 ZINC000160507365 367011534 /nfs/dbraw/zinc/01/15/34/367011534.db2.gz YPTKKVHIPOCDLE-YWPYICTPSA-N 1 1 279.384 2.320 20 70 CEIDMO CCc1nnc([C@H](C)[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)o1 ZINC000160507365 367011541 /nfs/dbraw/zinc/01/15/41/367011541.db2.gz YPTKKVHIPOCDLE-YWPYICTPSA-N 1 1 279.384 2.320 20 70 CEIDMO CCc1nc(CN2CC[N@H+](C)C[C@@H]2c2ccccc2)no1 ZINC000161336820 367079412 /nfs/dbraw/zinc/07/94/12/367079412.db2.gz IHCLDQWGBYHQAU-CQSZACIVSA-N 1 1 286.379 2.121 20 70 CEIDMO CCc1nc(CN2CC[N@@H+](C)C[C@@H]2c2ccccc2)no1 ZINC000161336820 367079415 /nfs/dbraw/zinc/07/94/15/367079415.db2.gz IHCLDQWGBYHQAU-CQSZACIVSA-N 1 1 286.379 2.121 20 70 CEIDMO Cc1ccc(NC(=O)C[N@H+](C)[C@@H]2CCCC[C@@H]2O)cc1 ZINC000161086813 367054600 /nfs/dbraw/zinc/05/46/00/367054600.db2.gz UJMXDQYOOFYGGG-CABCVRRESA-N 1 1 276.380 2.169 20 70 CEIDMO CCC[N@@H+](C[C@H]1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000161078834 367055441 /nfs/dbraw/zinc/05/54/41/367055441.db2.gz RNSYNXXJYCVMRW-UONOGXRCSA-N 1 1 271.426 2.242 20 70 CEIDMO CCOCCCNC(=O)[C@H](C)[NH2+][C@H](CC)c1nccs1 ZINC000161106782 367058301 /nfs/dbraw/zinc/05/83/01/367058301.db2.gz ZFPUKVXGJAUWAA-NWDGAFQWSA-N 1 1 299.440 2.115 20 70 CEIDMO CCCCNC(=O)[C@@H](C)[N@H+](CC)Cc1ccccn1 ZINC000161100715 367058344 /nfs/dbraw/zinc/05/83/44/367058344.db2.gz CHIBYEWCWZTFFK-CYBMUJFWSA-N 1 1 263.385 2.208 20 70 CEIDMO CCCCNC(=O)[C@@H](C)[N@@H+](CC)Cc1ccccn1 ZINC000161100715 367058346 /nfs/dbraw/zinc/05/83/46/367058346.db2.gz CHIBYEWCWZTFFK-CYBMUJFWSA-N 1 1 263.385 2.208 20 70 CEIDMO C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)[C@@H]1CSC[NH2+]1 ZINC000161243299 367071236 /nfs/dbraw/zinc/07/12/36/367071236.db2.gz DJXDKHBPVKSEJY-SUHUHFCYSA-N 1 1 294.395 2.193 20 70 CEIDMO COc1cc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc(OC)c1 ZINC000161455264 367087667 /nfs/dbraw/zinc/08/76/67/367087667.db2.gz FPECGZHFKZWEBH-AWEZNQCLSA-N 1 1 292.423 2.477 20 70 CEIDMO COc1cc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc(OC)c1 ZINC000161455264 367087670 /nfs/dbraw/zinc/08/76/70/367087670.db2.gz FPECGZHFKZWEBH-AWEZNQCLSA-N 1 1 292.423 2.477 20 70 CEIDMO COc1cc(C[N@H+](C)C[C@H]2CCCN(C)C2)cc(OC)c1 ZINC000161455264 367087677 /nfs/dbraw/zinc/08/76/77/367087677.db2.gz FPECGZHFKZWEBH-AWEZNQCLSA-N 1 1 292.423 2.477 20 70 CEIDMO COc1cc(C[N@@H+](C)C[C@H]2CCCN(C)C2)cc(OC)c1 ZINC000161455264 367087680 /nfs/dbraw/zinc/08/76/80/367087680.db2.gz FPECGZHFKZWEBH-AWEZNQCLSA-N 1 1 292.423 2.477 20 70 CEIDMO Cc1cccc(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)c1F ZINC000161460216 367087951 /nfs/dbraw/zinc/08/79/51/367087951.db2.gz OGGJOTPPHPZQTJ-UONOGXRCSA-N 1 1 276.355 2.491 20 70 CEIDMO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](CO)c1ccccc1 ZINC000161480960 367091246 /nfs/dbraw/zinc/09/12/46/367091246.db2.gz BSBOSVYXRGHKCL-JHNDHUHGSA-N 1 1 276.424 2.081 20 70 CEIDMO c1cc2c(cc1CN[C@H]1CC[N@H+]3CCCC[C@@H]13)OCCO2 ZINC000217633080 370198421 /nfs/dbraw/zinc/19/84/21/370198421.db2.gz XEONCWRTEGQKGG-GJZGRUSLSA-N 1 1 288.391 2.174 20 70 CEIDMO c1cc2c(cc1C[NH2+][C@H]1CCN3CCCC[C@@H]13)OCCO2 ZINC000217633080 370198426 /nfs/dbraw/zinc/19/84/26/370198426.db2.gz XEONCWRTEGQKGG-GJZGRUSLSA-N 1 1 288.391 2.174 20 70 CEIDMO Cn1ncc2c1CCC[C@@H]2N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000217699879 370200461 /nfs/dbraw/zinc/20/04/61/370200461.db2.gz IELAOJMGYGPLMU-DZKIICNBSA-N 1 1 274.412 2.014 20 70 CEIDMO Cn1ncc2c1CCC[C@@H]2[NH2+][C@H]1CCN2CCCC[C@@H]12 ZINC000217699879 370200466 /nfs/dbraw/zinc/20/04/66/370200466.db2.gz IELAOJMGYGPLMU-DZKIICNBSA-N 1 1 274.412 2.014 20 70 CEIDMO CCCOc1cccc(CCNC(=O)[C@H]2CCC[N@H+]2C)c1 ZINC000161211835 249319806 /nfs/dbraw/zinc/31/98/06/249319806.db2.gz LEWKIXNHEYVPEV-MRXNPFEDSA-N 1 1 290.407 2.228 20 70 CEIDMO C[C@@H](O)C[N@@H+](CCOCC1CC1)C1CCCCC1 ZINC000160312032 533658020 /nfs/dbraw/zinc/65/80/20/533658020.db2.gz NVOSCXLLAWUFAY-CYBMUJFWSA-N 1 1 255.402 2.429 20 70 CEIDMO CCCC(O)(CCC)CC(=O)NCC[N@@H+](C)C(C)C ZINC000161138656 395063355 /nfs/dbraw/zinc/06/33/55/395063355.db2.gz QTKZXNBCXAFVGG-UHFFFAOYSA-N 1 1 272.433 2.164 20 70 CEIDMO Cc1cccc([C@@H]2CCC[N@H+]2Cc2cncn2C)n1 ZINC000159837851 162316281 /nfs/dbraw/zinc/31/62/81/162316281.db2.gz PZHBNTNAGYXCEC-HNNXBMFYSA-N 1 1 256.353 2.461 20 70 CEIDMO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2cncn2C)n1 ZINC000159837851 162316285 /nfs/dbraw/zinc/31/62/85/162316285.db2.gz PZHBNTNAGYXCEC-HNNXBMFYSA-N 1 1 256.353 2.461 20 70 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C[C@@H](NCC[N@H+](C)Cc1ccc(F)cc1)c1cnccn1 ZINC000160121871 162323213 /nfs/dbraw/zinc/32/32/13/162323213.db2.gz CJQLNQIIUVQHKE-CYBMUJFWSA-N 1 1 288.370 2.398 20 70 CEIDMO C[C@@H](NCC[N@@H+](C)Cc1ccc(F)cc1)c1cnccn1 ZINC000160121871 162323215 /nfs/dbraw/zinc/32/32/15/162323215.db2.gz CJQLNQIIUVQHKE-CYBMUJFWSA-N 1 1 288.370 2.398 20 70 CEIDMO COC(=O)[C@H](C)[NH+]1CCC(Nc2ccc(F)cc2)CC1 ZINC000160179978 162324691 /nfs/dbraw/zinc/32/46/91/162324691.db2.gz HAQMNSPHJJABAP-NSHDSACASA-N 1 1 280.343 2.264 20 70 CEIDMO Cc1nc2ccccn2c1C[N@@H+]1CCCC[C@@H]1[C@@H](C)O ZINC000160210886 162324960 /nfs/dbraw/zinc/32/49/60/162324960.db2.gz GXGLPWCWKILWDQ-ZIAGYGMSSA-N 1 1 273.380 2.378 20 70 CEIDMO CCSCCN1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000159957260 280036996 /nfs/dbraw/zinc/03/69/96/280036996.db2.gz GHRGOGXIVVJVQT-HOTGVXAUSA-N 1 1 299.528 2.230 20 70 CEIDMO C[N@H+](CCCN1CCCCC1)CC1(O)CCCC1 ZINC000161450303 522749998 /nfs/dbraw/zinc/74/99/98/522749998.db2.gz CTEWONRWZWJQAQ-UHFFFAOYSA-N 1 1 254.418 2.099 20 70 CEIDMO C[N@@H+](CCCN1CCCCC1)CC1(O)CCCC1 ZINC000161450303 522750004 /nfs/dbraw/zinc/75/00/04/522750004.db2.gz CTEWONRWZWJQAQ-UHFFFAOYSA-N 1 1 254.418 2.099 20 70 CEIDMO CCC[N@@H+](CC)CCNC(=O)C[C@H](C)c1ccncc1 ZINC000160900123 539278955 /nfs/dbraw/zinc/27/89/55/539278955.db2.gz JEIPWXZCULATNF-AWEZNQCLSA-N 1 1 277.412 2.423 20 70 CEIDMO CC(C)(C)CCC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000159489299 344455079 /nfs/dbraw/zinc/45/50/79/344455079.db2.gz XSRFVJGFGFWSPT-CYBMUJFWSA-N 1 1 252.402 2.413 20 70 CEIDMO Cn1cnnc1C[N@H+]1CCC[C@H]1Cc1ccccc1 ZINC000160745375 344461151 /nfs/dbraw/zinc/46/11/51/344461151.db2.gz UIOWIKJAKQMOFR-AWEZNQCLSA-N 1 1 256.353 2.022 20 70 CEIDMO COCC[N@H+](Cc1ccccc1)Cc1cncnc1 ZINC000160437917 540607111 /nfs/dbraw/zinc/60/71/11/540607111.db2.gz HYJXCXQOOUZKIM-UHFFFAOYSA-N 1 1 257.337 2.125 20 70 CEIDMO COCC[N@@H+](Cc1ccccc1)Cc1cncnc1 ZINC000160437917 540607114 /nfs/dbraw/zinc/60/71/14/540607114.db2.gz HYJXCXQOOUZKIM-UHFFFAOYSA-N 1 1 257.337 2.125 20 70 CEIDMO Cc1ccc(NC(=O)NC[C@@H](c2ccco2)[NH+](C)C)cn1 ZINC000161405065 540816499 /nfs/dbraw/zinc/81/64/99/540816499.db2.gz UYHBGWOZLPOZDK-ZDUSSCGKSA-N 1 1 288.351 2.407 20 70 CEIDMO C[C@H](C(=O)Nc1ccccc1)[N@@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159692478 366940039 /nfs/dbraw/zinc/94/00/39/366940039.db2.gz RIUNFUJCGCZZTK-IPYPFGDCSA-N 1 1 276.380 2.106 20 70 CEIDMO COCCC[N@@H+](C)[C@H]1CCN(c2ccc(C)cc2)C1=O ZINC000159688655 366940057 /nfs/dbraw/zinc/94/00/57/366940057.db2.gz QYVRTRKHLONFRZ-HNNXBMFYSA-N 1 1 276.380 2.069 20 70 CEIDMO COCCC1(C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000159704999 366941535 /nfs/dbraw/zinc/94/15/35/366941535.db2.gz SRVLSZHNYMRDJJ-AWEZNQCLSA-N 1 1 296.455 2.430 20 70 CEIDMO CCOCC[NH+]1CCN(C(=O)[C@@H](C)c2cccs2)CC1 ZINC000159728395 366943521 /nfs/dbraw/zinc/94/35/21/366943521.db2.gz HJZYJJQVGSEDAW-ZDUSSCGKSA-N 1 1 296.436 2.032 20 70 CEIDMO CN(C)c1cccc(C[N@H+](C)CC(=O)N2CCCCC2)c1 ZINC000159855391 366953273 /nfs/dbraw/zinc/95/32/73/366953273.db2.gz LAIJEZQUUZGGQL-UHFFFAOYSA-N 1 1 289.423 2.197 20 70 CEIDMO CN(C)c1cccc(C[N@@H+](C)CC(=O)N2CCCCC2)c1 ZINC000159855391 366953278 /nfs/dbraw/zinc/95/32/78/366953278.db2.gz LAIJEZQUUZGGQL-UHFFFAOYSA-N 1 1 289.423 2.197 20 70 CEIDMO C[N@H+](CCC(=O)Nc1ccccc1Cl)[C@H](CN)C1CC1 ZINC000160071676 366970235 /nfs/dbraw/zinc/97/02/35/366970235.db2.gz VTRKGERAUJIGAB-CQSZACIVSA-N 1 1 295.814 2.338 20 70 CEIDMO C[N@@H+](CCC(=O)Nc1ccccc1Cl)[C@H](CN)C1CC1 ZINC000160071676 366970241 /nfs/dbraw/zinc/97/02/41/366970241.db2.gz VTRKGERAUJIGAB-CQSZACIVSA-N 1 1 295.814 2.338 20 70 CEIDMO C[C@]1(c2ccccc2)CCCN(C(=O)[C@@H]2CSC[NH2+]2)C1 ZINC000160100945 366972848 /nfs/dbraw/zinc/97/28/48/366972848.db2.gz SEKOWFACQHGXMW-HOCLYGCPSA-N 1 1 290.432 2.229 20 70 CEIDMO C[C@H](C(=O)NC[C@@H]1CCC[N@H+]1C)c1cccs1 ZINC000160134724 366975962 /nfs/dbraw/zinc/97/59/62/366975962.db2.gz RVVSGSMFHZIPLF-QWRGUYRKSA-N 1 1 252.383 2.062 20 70 CEIDMO Cc1nc2ccccn2c1C[N@H+]1CCCC[C@H]1CCO ZINC000160318508 366995297 /nfs/dbraw/zinc/99/52/97/366995297.db2.gz MLDGBAUOMBGKNS-AWEZNQCLSA-N 1 1 273.380 2.380 20 70 CEIDMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccco1 ZINC000160499379 367011298 /nfs/dbraw/zinc/01/12/98/367011298.db2.gz ITAUPBBRNMJCQP-GFCCVEGCSA-N 1 1 250.342 2.130 20 70 CEIDMO C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)[C@@H]1CSC[NH2+]1 ZINC000160902001 367042590 /nfs/dbraw/zinc/04/25/90/367042590.db2.gz JYCPDXLSWWAISJ-BNOWGMLFSA-N 1 1 276.405 2.054 20 70 CEIDMO C[C@@H]1C[C@@H](N[C@H](CCO)c2ccccc2)CC[N@@H+]1C ZINC000160945160 367045249 /nfs/dbraw/zinc/04/52/49/367045249.db2.gz NSWKAZJYGRAFQW-VNQPRFMTSA-N 1 1 262.397 2.182 20 70 CEIDMO C[C@@H]1C[C@@H](N[C@H](CCO)c2ccccc2)CC[N@H+]1C ZINC000160945160 367045254 /nfs/dbraw/zinc/04/52/54/367045254.db2.gz NSWKAZJYGRAFQW-VNQPRFMTSA-N 1 1 262.397 2.182 20 70 CEIDMO Cc1ccc(NC(=O)C[NH+]2CCC(C)(O)CC2)c(C)c1 ZINC000161210395 367068399 /nfs/dbraw/zinc/06/83/99/367068399.db2.gz USAQPHQQYAWWHE-UHFFFAOYSA-N 1 1 276.380 2.089 20 70 CEIDMO COc1ccc([C@@H]2CC[N@@H+](Cc3nccn3C)C2)cc1 ZINC000160895819 533145222 /nfs/dbraw/zinc/14/52/22/533145222.db2.gz IPWFOBLCRQMIFZ-CQSZACIVSA-N 1 1 271.364 2.418 20 70 CEIDMO CC[N@H+]1CCCN(C(=O)N[C@H]2CCCC2(C)C)CC1 ZINC000159954319 285214694 /nfs/dbraw/zinc/21/46/94/285214694.db2.gz HJMYMTCTVRITBO-ZDUSSCGKSA-N 1 1 267.417 2.302 20 70 CEIDMO C[C@@H]1C[N@H+](CCn2ccnc2)C[C@H](c2ccccc2)O1 ZINC000159776718 395059208 /nfs/dbraw/zinc/05/92/08/395059208.db2.gz JYEUKHSMZDYXPB-GDBMZVCRSA-N 1 1 271.364 2.345 20 70 CEIDMO C[C@@H]1C[N@@H+](CCn2ccnc2)C[C@H](c2ccccc2)O1 ZINC000159776718 395059213 /nfs/dbraw/zinc/05/92/13/395059213.db2.gz JYEUKHSMZDYXPB-GDBMZVCRSA-N 1 1 271.364 2.345 20 70 CEIDMO COC(=O)c1ccc(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000218011797 153298590 /nfs/dbraw/zinc/29/85/90/153298590.db2.gz ZXFNPTMGJPPDIM-CVEARBPZSA-N 1 1 288.391 2.142 20 70 CEIDMO NC(=O)[C@H]1CCC[N@H+]1Cc1cc2ccccc2s1 ZINC000160319772 162327404 /nfs/dbraw/zinc/32/74/04/162327404.db2.gz DQKCHHNLSLGAGK-GFCCVEGCSA-N 1 1 260.362 2.351 20 70 CEIDMO CC[N@H+](Cc1cnc2ccccn12)C[C@@H]1CCCO1 ZINC000160431778 162328817 /nfs/dbraw/zinc/32/88/17/162328817.db2.gz PJWUMXVVHAVADX-AWEZNQCLSA-N 1 1 259.353 2.335 20 70 CEIDMO CC[C@@H](C)[N@@H+](C)CCN[C@@H]1CCCc2c1cnn2C ZINC000160147997 270238365 /nfs/dbraw/zinc/23/83/65/270238365.db2.gz IZRBQIGXLIXCKQ-TZMCWYRMSA-N 1 1 264.417 2.117 20 70 CEIDMO CC[C@@H](C)N(C)CC[NH2+][C@@H]1CCCc2c1cnn2C ZINC000160147997 270238366 /nfs/dbraw/zinc/23/83/66/270238366.db2.gz IZRBQIGXLIXCKQ-TZMCWYRMSA-N 1 1 264.417 2.117 20 70 CEIDMO CC1(C)C[C@@H](NC(=O)[C@@H]2CSC[NH2+]2)c2ccccc2O1 ZINC000161392935 276141990 /nfs/dbraw/zinc/14/19/90/276141990.db2.gz YWIPBGDKCOPHHP-NEPJUHHUSA-N 1 1 292.404 2.068 20 70 CEIDMO C(C1CC1)N1CCC([NH2+][C@H]2CCCSC2)CC1 ZINC000159539620 312632681 /nfs/dbraw/zinc/63/26/81/312632681.db2.gz WHRJCZBUSIHTAJ-AWEZNQCLSA-N 1 1 254.443 2.346 20 70 CEIDMO CC[N@@H+]1CCc2nc(NC(=O)C(C)(C)COC)sc2C1 ZINC000160435368 521724856 /nfs/dbraw/zinc/72/48/56/521724856.db2.gz UOBCJKUBZWWXQV-UHFFFAOYSA-N 1 1 297.424 2.132 20 70 CEIDMO CC[N@H+]1CCc2nc(NC(=O)C(C)(C)COC)sc2C1 ZINC000160435368 521724858 /nfs/dbraw/zinc/72/48/58/521724858.db2.gz UOBCJKUBZWWXQV-UHFFFAOYSA-N 1 1 297.424 2.132 20 70 CEIDMO COCC(C)(C)C(=O)N1CCC([N@H+]2CCC[C@@H]2C)CC1 ZINC000160816957 522790772 /nfs/dbraw/zinc/79/07/72/522790772.db2.gz RKQKRRPDMYOFKU-ZDUSSCGKSA-N 1 1 282.428 2.134 20 70 CEIDMO COCC(C)(C)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000160914169 522795287 /nfs/dbraw/zinc/79/52/87/522795287.db2.gz OWKMGXNYOCNQMJ-HIFRSBDPSA-N 1 1 294.439 2.134 20 70 CEIDMO C[C@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000160806374 526265892 /nfs/dbraw/zinc/26/58/92/526265892.db2.gz IBSHFVMFMGVMCU-UONOGXRCSA-N 1 1 279.428 2.445 20 70 CEIDMO CC[C@H](NC(=O)NC[C@@H]1CCC[N@@H+](C)C1)c1nccs1 ZINC000159455728 344455073 /nfs/dbraw/zinc/45/50/73/344455073.db2.gz VDGCVKGADNMYOA-RYUDHWBXSA-N 1 1 296.440 2.235 20 70 CEIDMO C[C@H](C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)c1ccsc1 ZINC000159497114 344455251 /nfs/dbraw/zinc/45/52/51/344455251.db2.gz HUOJCMYGUMMOOU-FZMZJTMJSA-N 1 1 278.421 2.452 20 70 CEIDMO FC(F)(F)c1nnc(N[C@H]2CC[N@H+](C3CC3)C2)s1 ZINC000160328801 344458317 /nfs/dbraw/zinc/45/83/17/344458317.db2.gz KOXLAUAOURJCHW-LURJTMIESA-N 1 1 278.303 2.206 20 70 CEIDMO CC[C@H](C)[N@@H+](C)CCNc1cc(C(=O)OC)ccn1 ZINC000218257341 344536307 /nfs/dbraw/zinc/53/63/07/344536307.db2.gz RANBEPFEXOKIMG-NSHDSACASA-N 1 1 265.357 2.010 20 70 CEIDMO C[N@H+]1CCC[C@@H]1CNc1ccc(C(F)(F)F)nn1 ZINC000217991055 538888599 /nfs/dbraw/zinc/88/85/99/538888599.db2.gz BEZFTUPVUUPUKK-MRVPVSSYSA-N 1 1 260.263 2.002 20 70 CEIDMO CC[N@H+]1CCCC[C@H]1CNc1ccc(S(C)(=O)=O)cc1 ZINC000159394800 366908574 /nfs/dbraw/zinc/90/85/74/366908574.db2.gz MLYCTXBUBIHMDG-AWEZNQCLSA-N 1 1 296.436 2.376 20 70 CEIDMO CC(C)(C)OC(=O)N1CCC[N@@H+](CCOCC2CC2)CC1 ZINC000159480736 366918207 /nfs/dbraw/zinc/91/82/07/366918207.db2.gz FDDRJJJJALMQRX-UHFFFAOYSA-N 1 1 298.427 2.356 20 70 CEIDMO C[C@@H](O)C[N@@H+](C)[C@H](C)C(=O)N1c2ccccc2CC[C@H]1C ZINC000159519717 366923201 /nfs/dbraw/zinc/92/32/01/366923201.db2.gz BOGNYISWLMFCLK-MGPQQGTHSA-N 1 1 290.407 2.055 20 70 CEIDMO CCC(CC)(C[NH2+]Cc1nc(C)c(C)o1)C(=O)OC ZINC000159651396 366935393 /nfs/dbraw/zinc/93/53/93/366935393.db2.gz XXHYSKGURIRVJK-UHFFFAOYSA-N 1 1 268.357 2.360 20 70 CEIDMO Cc1ccc(C(=O)CC[N@@H+](C)CCN2CCCC2=O)cc1 ZINC000159655762 366935755 /nfs/dbraw/zinc/93/57/55/366935755.db2.gz YNDHXEVLIXVORA-UHFFFAOYSA-N 1 1 288.391 2.122 20 70 CEIDMO NC(=O)[C@H]1CC[N@@H+](Cc2ncc(-c3ccccc3)s2)C1 ZINC000159864892 366954537 /nfs/dbraw/zinc/95/45/37/366954537.db2.gz JGRBXTGFBZYDQF-LBPRGKRZSA-N 1 1 287.388 2.117 20 70 CEIDMO Cc1ccc(F)c(OCC(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000159918572 366959180 /nfs/dbraw/zinc/95/91/80/366959180.db2.gz SAHWXDRVKDTNFP-CYBMUJFWSA-N 1 1 294.370 2.066 20 70 CEIDMO c1cnn(CCCCCSCC[NH+]2CCOCC2)c1 ZINC000159938536 366959417 /nfs/dbraw/zinc/95/94/17/366959417.db2.gz GJLZPDWMYALXNQ-UHFFFAOYSA-N 1 1 283.441 2.119 20 70 CEIDMO C[C@H]1C[C@H](NC(=O)NCC2(C3CC3)CCC2)C[N@H+]1C1CC1 ZINC000159999033 366964184 /nfs/dbraw/zinc/96/41/84/366964184.db2.gz LKZQGULGSLKINL-JSGCOSHPSA-N 1 1 291.439 2.491 20 70 CEIDMO C[C@@H]1C[C@H](NC(=O)NCC2(C3CC3)CC2)C[N@H+]1C1CC1 ZINC000160006388 366965442 /nfs/dbraw/zinc/96/54/42/366965442.db2.gz NVCJUHARSFEKLK-YPMHNXCESA-N 1 1 277.412 2.101 20 70 CEIDMO CC[N@@H+](C)CCNC(=O)[C@H](C)Cc1ccccc1F ZINC000160148437 366976898 /nfs/dbraw/zinc/97/68/98/366976898.db2.gz UQKKJCRJGUWRGH-GFCCVEGCSA-N 1 1 266.360 2.072 20 70 CEIDMO Cc1cccc([C@H](C)NC(=O)[C@H]2CSC[NH2+]2)c1C ZINC000160833298 367036881 /nfs/dbraw/zinc/03/68/81/367036881.db2.gz GPJXBJIWGMUFAS-WCQYABFASA-N 1 1 264.394 2.143 20 70 CEIDMO Cc1[nH+]ccn1CCCN(C)C(=O)[C@@H](C)C1CCOCC1 ZINC000160974284 367046532 /nfs/dbraw/zinc/04/65/32/367046532.db2.gz VKXKRTBVHSLKGY-ZDUSSCGKSA-N 1 1 293.411 2.103 20 70 CEIDMO COC(=O)CC[N@H+](CCCN1CCCCC1)C(C)C ZINC000161097754 367056695 /nfs/dbraw/zinc/05/66/95/367056695.db2.gz XKYCHIZYXDSZCP-UHFFFAOYSA-N 1 1 270.417 2.136 20 70 CEIDMO COC(=O)CC[N@@H+](CCCN1CCCCC1)C(C)C ZINC000161097754 367056696 /nfs/dbraw/zinc/05/66/96/367056696.db2.gz XKYCHIZYXDSZCP-UHFFFAOYSA-N 1 1 270.417 2.136 20 70 CEIDMO CC[N@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)N1CCCCCC1 ZINC000161106247 367057728 /nfs/dbraw/zinc/05/77/28/367057728.db2.gz MTFTYRKIKOWGSO-AWEZNQCLSA-N 1 1 292.427 2.033 20 70 CEIDMO CC[N@@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)N1CCCCCC1 ZINC000161106247 367057734 /nfs/dbraw/zinc/05/77/34/367057734.db2.gz MTFTYRKIKOWGSO-AWEZNQCLSA-N 1 1 292.427 2.033 20 70 CEIDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)Cc1nc(C)sc1C ZINC000161391387 367082493 /nfs/dbraw/zinc/08/24/93/367082493.db2.gz YOYYXEQQBUBBIY-SNVBAGLBSA-N 1 1 283.441 2.149 20 70 CEIDMO O=C([C@H]1CSC[NH2+]1)N1CCCC2(CCCCC2)C1 ZINC000159858290 296144084 /nfs/dbraw/zinc/14/40/84/296144084.db2.gz PUHXBCBGAULBKA-GFCCVEGCSA-N 1 1 268.426 2.222 20 70 CEIDMO c1cc2c(c(CN[C@@H]3CC[N@H+]4CCCC[C@@H]34)c1)OCO2 ZINC000218480673 370210172 /nfs/dbraw/zinc/21/01/72/370210172.db2.gz 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CC[C@H](C)[N@@H+](C)CCNC(=O)c1cncc(OC(C)C)c1 ZINC000161387771 523921002 /nfs/dbraw/zinc/92/10/02/523921002.db2.gz DYAAOAQGZSLMNP-ZDUSSCGKSA-N 1 1 293.411 2.329 20 70 CEIDMO CC(C)S(=O)(=O)CCC[N@H+](C)CCc1ccccc1 ZINC000160889155 528295698 /nfs/dbraw/zinc/29/56/98/528295698.db2.gz YXUCXSPRVYMAJC-UHFFFAOYSA-N 1 1 283.437 2.374 20 70 CEIDMO CC(C)S(=O)(=O)CCC[N@@H+](C)CCc1ccccc1 ZINC000160889155 528295701 /nfs/dbraw/zinc/29/57/01/528295701.db2.gz YXUCXSPRVYMAJC-UHFFFAOYSA-N 1 1 283.437 2.374 20 70 CEIDMO CC(C)[N@@H+](CCCN1CCOCC1)CCc1nccs1 ZINC000159911026 528879532 /nfs/dbraw/zinc/87/95/32/528879532.db2.gz YKVQYYBOGUSKCR-UHFFFAOYSA-N 1 1 297.468 2.118 20 70 CEIDMO CC[C@@H]1CCCC[N@H+]1CCCS(=O)(=O)C(C)C ZINC000160465147 529271577 /nfs/dbraw/zinc/27/15/77/529271577.db2.gz KZRVWUDUTBXLKD-CYBMUJFWSA-N 1 1 261.431 2.464 20 70 CEIDMO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)N1CC[C@@H]2CCCC[C@@H]21 ZINC000160615093 540119865 /nfs/dbraw/zinc/11/98/65/540119865.db2.gz IQKOSICMNVGVOB-XHSDSOJGSA-N 1 1 291.439 2.445 20 70 CEIDMO CCCc1nc(Cn2c(C)[nH+]c3c2CCCC3)no1 ZINC000160729116 540121046 /nfs/dbraw/zinc/12/10/46/540121046.db2.gz QEOLVEMCJSHVBE-UHFFFAOYSA-N 1 1 260.341 2.454 20 70 CEIDMO CN1CCO[C@@H](C[NH2+][C@@H](c2ccco2)c2ccccc2)C1 ZINC000217761175 540168747 /nfs/dbraw/zinc/16/87/47/540168747.db2.gz CBDKKOLRCLXKLE-DOTOQJQBSA-N 1 1 286.375 2.289 20 70 CEIDMO CCC[N@@H+](CC)CCNCc1cnc2ccccc2n1 ZINC000217728251 540449860 /nfs/dbraw/zinc/44/98/60/540449860.db2.gz RXJSFNNYJIIQEO-UHFFFAOYSA-N 1 1 272.396 2.451 20 70 CEIDMO Cc1cc(-c2nnc(C[N@@H+](C)C(C)(C)CO)o2)c(C)o1 ZINC000160691994 540633831 /nfs/dbraw/zinc/63/38/31/540633831.db2.gz QRGGOIJUJCTGGT-UHFFFAOYSA-N 1 1 279.340 2.149 20 70 CEIDMO Cc1cc(-c2nnc(C[N@H+](C)C(C)(C)CO)o2)c(C)o1 ZINC000160691994 540633834 /nfs/dbraw/zinc/63/38/34/540633834.db2.gz QRGGOIJUJCTGGT-UHFFFAOYSA-N 1 1 279.340 2.149 20 70 CEIDMO C[C@H](CC(=O)N(C)[C@H]1CCC[N@@H+](C)C1)c1ccncc1 ZINC000160823276 540665096 /nfs/dbraw/zinc/66/50/96/540665096.db2.gz MVOPRFHVFDZXRU-HIFRSBDPSA-N 1 1 275.396 2.128 20 70 CEIDMO C[C@@H](O)C[N@H+](C)[C@@H](C)c1nnc(-c2cccs2)o1 ZINC000159423536 366911854 /nfs/dbraw/zinc/91/18/54/366911854.db2.gz HBFGVKVLIGHYSO-BDAKNGLRSA-N 1 1 267.354 2.172 20 70 CEIDMO C[C@@H](O)C[N@@H+](C)[C@@H](C)c1nnc(-c2cccs2)o1 ZINC000159423536 366911857 /nfs/dbraw/zinc/91/18/57/366911857.db2.gz HBFGVKVLIGHYSO-BDAKNGLRSA-N 1 1 267.354 2.172 20 70 CEIDMO CCCC[N@@H+]1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000159446154 366914764 /nfs/dbraw/zinc/91/47/64/366914764.db2.gz KZNCYQFQOMEREV-OLZOCXBDSA-N 1 1 253.342 2.204 20 70 CEIDMO CCCC[N@H+]1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000159446154 366914770 /nfs/dbraw/zinc/91/47/70/366914770.db2.gz KZNCYQFQOMEREV-OLZOCXBDSA-N 1 1 253.342 2.204 20 70 CEIDMO C[C@H]([NH2+][C@@H](C)c1cccc(F)c1F)C(=O)NC1CC1 ZINC000159491090 366919943 /nfs/dbraw/zinc/91/99/43/366919943.db2.gz VCDMGHSDTJLAKZ-IUCAKERBSA-N 1 1 268.307 2.283 20 70 CEIDMO CC[N@H+]1CCCN(C(=O)NCCCc2ccccc2)CC1 ZINC000159513976 366920447 /nfs/dbraw/zinc/92/04/47/366920447.db2.gz GCWMNLDNBGHKCA-UHFFFAOYSA-N 1 1 289.423 2.356 20 70 CEIDMO CC[N@H+]1CCCN(C(=O)NCc2ccc(F)c(C)c2)CC1 ZINC000159571000 366927152 /nfs/dbraw/zinc/92/71/52/366927152.db2.gz CGRKKGACARKDCP-UHFFFAOYSA-N 1 1 293.386 2.371 20 70 CEIDMO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cc(F)c(F)cc1F ZINC000159680487 366938483 /nfs/dbraw/zinc/93/84/83/366938483.db2.gz RMNWWHPARCSRFP-RKDXNWHRSA-N 1 1 286.297 2.190 20 70 CEIDMO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1cc(F)c(F)cc1F ZINC000159680487 366938485 /nfs/dbraw/zinc/93/84/85/366938485.db2.gz RMNWWHPARCSRFP-RKDXNWHRSA-N 1 1 286.297 2.190 20 70 CEIDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1CCn1ccnc1 ZINC000159845624 366952700 /nfs/dbraw/zinc/95/27/00/366952700.db2.gz HUHVHYDJDGROFP-QGZVFWFLSA-N 1 1 298.434 2.480 20 70 CEIDMO C[C@@H]1CN(Cc2ccccc2)CCC[N@@H+]1CCn1ccnc1 ZINC000159845624 366952706 /nfs/dbraw/zinc/95/27/06/366952706.db2.gz HUHVHYDJDGROFP-QGZVFWFLSA-N 1 1 298.434 2.480 20 70 CEIDMO C[C@@H]1CN(Cc2ccccc2)CCC[N@H+]1CCn1ccnc1 ZINC000159845624 366952712 /nfs/dbraw/zinc/95/27/12/366952712.db2.gz HUHVHYDJDGROFP-QGZVFWFLSA-N 1 1 298.434 2.480 20 70 CEIDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NC1(C)CCC1 ZINC000159920480 366959438 /nfs/dbraw/zinc/95/94/38/366959438.db2.gz JKQMWYCLLZOHNA-QWHCGFSZSA-N 1 1 267.417 2.349 20 70 CEIDMO COCCC1(C(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000159927288 366960061 /nfs/dbraw/zinc/96/00/61/366960061.db2.gz JIXLALVYIIKVMV-QLFBSQMISA-N 1 1 296.455 2.286 20 70 CEIDMO CCc1cccc(CC(=O)NC[C@H]2CC[N@H+](CC)C2)c1 ZINC000160130844 366976024 /nfs/dbraw/zinc/97/60/24/366976024.db2.gz PRTCHCGISOFDPV-MRXNPFEDSA-N 1 1 274.408 2.250 20 70 CEIDMO CC[C@]1(C)C[C@@H]1C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000160190357 366980772 /nfs/dbraw/zinc/98/07/72/366980772.db2.gz LTGAJXSVMBEXTI-RHSMWYFYSA-N 1 1 296.455 2.239 20 70 CEIDMO CS[C@H](C)CNC(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000160251698 366988088 /nfs/dbraw/zinc/98/80/88/366988088.db2.gz JGUDGIWUCWVROA-OLZOCXBDSA-N 1 1 287.473 2.015 20 70 CEIDMO COc1ccc2cc(C[N@H+]3CCC[C@@H]3C(N)=O)ccc2c1 ZINC000160315691 366993699 /nfs/dbraw/zinc/99/36/99/366993699.db2.gz HGFCURZQZJIKSB-MRXNPFEDSA-N 1 1 284.359 2.298 20 70 CEIDMO Cc1[nH+]ccn1CCCN(C)C(=O)NC(C)(C)C ZINC000160902663 367042903 /nfs/dbraw/zinc/04/29/03/367042903.db2.gz NPEXTGDQJJCXNN-UHFFFAOYSA-N 1 1 252.362 2.022 20 70 CEIDMO Cc1cccc(NC(=O)C[N@H+](C)[C@H]2CCCC[C@@H]2O)c1C ZINC000161086658 367054882 /nfs/dbraw/zinc/05/48/82/367054882.db2.gz VFBFKCNDVWMTRA-HOTGVXAUSA-N 1 1 290.407 2.477 20 70 CEIDMO C[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)C1 ZINC000161305650 367077320 /nfs/dbraw/zinc/07/73/20/367077320.db2.gz WKUGGOZVWKSHPL-RAIGVLPGSA-N 1 1 294.345 2.136 20 70 CEIDMO CC[C@@H](C)OCC(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000160676432 367027379 /nfs/dbraw/zinc/02/73/79/367027379.db2.gz XDUFCAVDNANVEA-CQSZACIVSA-N 1 1 278.396 2.050 20 70 CEIDMO CCn1cnnc1C[NH2+]Cc1cccc2[nH]ccc21 ZINC000218111609 370205889 /nfs/dbraw/zinc/20/58/89/370205889.db2.gz NVSADYKHRXTVHW-UHFFFAOYSA-N 1 1 255.325 2.069 20 70 CEIDMO CC[N@H+]1CCCN(C(=O)N[C@@H]2CCCC[C@@H]2C)CC1 ZINC000159517812 285211925 /nfs/dbraw/zinc/21/19/25/285211925.db2.gz LOJRUWMYACXDNC-UONOGXRCSA-N 1 1 267.417 2.302 20 70 CEIDMO CN(c1nc(C(C)(C)C)ns1)[C@@H]1CCC[N@@H+](C)C1 ZINC000159652223 162309858 /nfs/dbraw/zinc/30/98/58/162309858.db2.gz JIINGOKFKSMDMH-SNVBAGLBSA-N 1 1 268.430 2.366 20 70 CEIDMO C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)c1ccccc1-n1cccn1 ZINC000159787256 162313779 /nfs/dbraw/zinc/31/37/79/162313779.db2.gz PPNYIJAZMGTNEJ-CJNGLKHVSA-N 1 1 298.390 2.144 20 70 CEIDMO Cc1cccc([C@H]2CCC[N@H+]2CC(=O)NCC(C)C)n1 ZINC000159823040 162315202 /nfs/dbraw/zinc/31/52/02/162315202.db2.gz JUTMDDOERPJQKT-OAHLLOKOSA-N 1 1 275.396 2.299 20 70 CEIDMO Cc1cccc([C@H]2CCC[N@@H+]2CC(=O)NCC(C)C)n1 ZINC000159823040 162315204 /nfs/dbraw/zinc/31/52/04/162315204.db2.gz JUTMDDOERPJQKT-OAHLLOKOSA-N 1 1 275.396 2.299 20 70 CEIDMO CC[C@H](NC(=O)N1CCC[N@@H+](CC)CC1)c1nccs1 ZINC000159888983 162319418 /nfs/dbraw/zinc/31/94/18/162319418.db2.gz KJGJJGBKBLDZMC-LBPRGKRZSA-N 1 1 296.440 2.331 20 70 CEIDMO CCC[N@H+]1CCCN(C(=O)NCCc2ccccc2)CC1 ZINC000160012907 162320079 /nfs/dbraw/zinc/32/00/79/162320079.db2.gz MHCCJTQJNJLDCY-UHFFFAOYSA-N 1 1 289.423 2.356 20 70 CEIDMO CCNC(=O)CC[N@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000160067295 162322580 /nfs/dbraw/zinc/32/25/80/162322580.db2.gz GETMUWGSSKJDPV-AWEZNQCLSA-N 1 1 261.369 2.053 20 70 CEIDMO CCC[N@H+]1CCCN(C(=O)[C@@H](C)OCCC(C)C)CC1 ZINC000160375097 162328246 /nfs/dbraw/zinc/32/82/46/162328246.db2.gz WBSOTNRGHVSATN-OAHLLOKOSA-N 1 1 284.444 2.382 20 70 CEIDMO CC[C@](C)(O)C[N@@H+]1CCC[C@H](N2CCCCCC2)C1 ZINC000161019394 281291105 /nfs/dbraw/zinc/29/11/05/281291105.db2.gz YJZJJZTZDBIOAH-HOTGVXAUSA-N 1 1 268.445 2.488 20 70 CEIDMO CC[C@](C)(O)C[N@H+]1CCC[C@H](N2CCCCCC2)C1 ZINC000161019394 281291107 /nfs/dbraw/zinc/29/11/07/281291107.db2.gz YJZJJZTZDBIOAH-HOTGVXAUSA-N 1 1 268.445 2.488 20 70 CEIDMO CC[C@@H](C)c1cc(C(=O)N2CC[NH+](CC3CC3)CC2)on1 ZINC000161134663 522415245 /nfs/dbraw/zinc/41/52/45/522415245.db2.gz IUMLAFCRZMJYIA-GFCCVEGCSA-N 1 1 291.395 2.356 20 70 CEIDMO COc1cccc(CCC[N@H+]2C[C@H](C(N)=O)CC[C@H]2C)c1 ZINC000160527171 525886090 /nfs/dbraw/zinc/88/60/90/525886090.db2.gz JERPNCBHMLJENW-UKRRQHHQSA-N 1 1 290.407 2.214 20 70 CEIDMO CC(C)S(=O)(=O)CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000160477033 528297971 /nfs/dbraw/zinc/29/79/71/528297971.db2.gz UARLQSHYORUSIB-BETUJISGSA-N 1 1 261.431 2.178 20 70 CEIDMO C[C@@H](Cc1ccccc1F)C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000159513358 344454904 /nfs/dbraw/zinc/45/49/04/344454904.db2.gz LVLIQGJOPMIOKC-UONOGXRCSA-N 1 1 292.398 2.462 20 70 CEIDMO C[C@@H](C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)c1cccs1 ZINC000159495868 344455038 /nfs/dbraw/zinc/45/50/38/344455038.db2.gz SLMSVFPIGYACHE-YPMHNXCESA-N 1 1 278.421 2.452 20 70 CEIDMO Cc1cccc([C@H]2CCC[N@H+]2Cc2nncn2C)c1 ZINC000160829717 344461883 /nfs/dbraw/zinc/46/18/83/344461883.db2.gz QSMPBKPSHIBCNN-CQSZACIVSA-N 1 1 256.353 2.461 20 70 CEIDMO Cc1cccc([C@H]2CCC[N@@H+]2Cc2nncn2C)c1 ZINC000160829717 344461886 /nfs/dbraw/zinc/46/18/86/344461886.db2.gz QSMPBKPSHIBCNN-CQSZACIVSA-N 1 1 256.353 2.461 20 70 CEIDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(-c4cnco4)cc3)C[C@@H]21 ZINC000216984297 344535100 /nfs/dbraw/zinc/53/51/00/344535100.db2.gz ICNDDNVSMJSCPH-CABCVRRESA-N 1 1 297.358 2.118 20 70 CEIDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Nc1ncccn1 ZINC000160231207 188461136 /nfs/dbraw/zinc/46/11/36/188461136.db2.gz XZCYDCMZPJYJFV-HIFRSBDPSA-N 1 1 268.364 2.409 20 70 CEIDMO CC[N@@H+](CCCCS(C)(=O)=O)CCc1ccccc1 ZINC000161473283 540836603 /nfs/dbraw/zinc/83/66/03/540836603.db2.gz FAFHVAJITSIPJU-UHFFFAOYSA-N 1 1 283.437 2.376 20 70 CEIDMO CSc1ccc(NC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)O)cc1 ZINC000159429397 366911228 /nfs/dbraw/zinc/91/12/28/366911228.db2.gz MOGXZAKIJPQEFN-MNOVXSKESA-N 1 1 282.409 2.048 20 70 CEIDMO C[C@@H]1C[N@H+](Cc2ccn(C3CCCC3)n2)CC[C@@H]1O ZINC000159450698 366914204 /nfs/dbraw/zinc/91/42/04/366914204.db2.gz NTVSWMVMKMCKPH-DOMZBBRYSA-N 1 1 263.385 2.201 20 70 CEIDMO C[C@@H]1C[N@@H+](Cc2ccn(C3CCCC3)n2)CC[C@@H]1O ZINC000159450698 366914209 /nfs/dbraw/zinc/91/42/09/366914209.db2.gz NTVSWMVMKMCKPH-DOMZBBRYSA-N 1 1 263.385 2.201 20 70 CEIDMO COC(=O)[C@H](C)[N@H+](C)CCCOc1ccccc1C ZINC000159446169 366914656 /nfs/dbraw/zinc/91/46/56/366914656.db2.gz NICQXNISPORGLA-ZDUSSCGKSA-N 1 1 265.353 2.257 20 70 CEIDMO COC(=O)[C@H](C)[N@@H+](C)CCCOc1ccccc1C ZINC000159446169 366914663 /nfs/dbraw/zinc/91/46/63/366914663.db2.gz NICQXNISPORGLA-ZDUSSCGKSA-N 1 1 265.353 2.257 20 70 CEIDMO C[N@@H+](Cc1nc(-c2cccs2)no1)C[C@H]1CCC[C@@H]1O ZINC000159525946 366922284 /nfs/dbraw/zinc/92/22/84/366922284.db2.gz ODKOXNYKAXMGHU-MNOVXSKESA-N 1 1 293.392 2.391 20 70 CEIDMO C[N@H+](Cc1nc(-c2cccs2)no1)C[C@H]1CCC[C@@H]1O ZINC000159525946 366922289 /nfs/dbraw/zinc/92/22/89/366922289.db2.gz ODKOXNYKAXMGHU-MNOVXSKESA-N 1 1 293.392 2.391 20 70 CEIDMO C[N@@H+](Cc1nc(-c2cccs2)no1)C[C@@H]1CCC[C@@H]1O ZINC000159525811 366922890 /nfs/dbraw/zinc/92/28/90/366922890.db2.gz ODKOXNYKAXMGHU-QWRGUYRKSA-N 1 1 293.392 2.391 20 70 CEIDMO C[N@H+](Cc1nc(-c2cccs2)no1)C[C@@H]1CCC[C@@H]1O ZINC000159525811 366922894 /nfs/dbraw/zinc/92/28/94/366922894.db2.gz ODKOXNYKAXMGHU-QWRGUYRKSA-N 1 1 293.392 2.391 20 70 CEIDMO CC(C)c1ccccc1NC(=O)[C@H](C)[N@H+](C)C[C@@H](C)O ZINC000159526555 366922935 /nfs/dbraw/zinc/92/29/35/366922935.db2.gz QJWSKSIBXUAPRB-OLZOCXBDSA-N 1 1 278.396 2.450 20 70 CEIDMO CC[N@H+]1CCCN(C(=O)NCc2ccccc2C)CC1 ZINC000159543034 366924226 /nfs/dbraw/zinc/92/42/26/366924226.db2.gz XTPUEOJUDMPIMY-UHFFFAOYSA-N 1 1 275.396 2.232 20 70 CEIDMO CC(C)[N@H+](CCN(C)Cc1ccc(F)cc1)C[C@@H](C)O ZINC000159548529 366926115 /nfs/dbraw/zinc/92/61/15/366926115.db2.gz SOKAEIFSFLHUAI-CQSZACIVSA-N 1 1 282.403 2.349 20 70 CEIDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)c1cccs1 ZINC000159577185 366928022 /nfs/dbraw/zinc/92/80/22/366928022.db2.gz WTLCVZSMRZOTQD-UHFFFAOYSA-N 1 1 296.436 2.179 20 70 CEIDMO CCC[C@@H](C)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000159580607 366928038 /nfs/dbraw/zinc/92/80/38/366928038.db2.gz ZQZWQPFHZWRXDF-CQSZACIVSA-N 1 1 284.444 2.239 20 70 CEIDMO Cc1cc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)ccc1F ZINC000159587971 366929790 /nfs/dbraw/zinc/92/97/90/366929790.db2.gz ZUJWGTJCFUVQIZ-AAEUAGOBSA-N 1 1 264.344 2.220 20 70 CEIDMO COCCCN(C)c1cc[nH+]cc1Br ZINC000159962920 366962537 /nfs/dbraw/zinc/96/25/37/366962537.db2.gz RWIQUHJRXGHARA-UHFFFAOYSA-N 1 1 259.147 2.317 20 70 CEIDMO C[C@H]1C[C@@H](NC(=O)NCC2(C3CC3)CC2)C[N@H+]1C1CC1 ZINC000160006791 366965264 /nfs/dbraw/zinc/96/52/64/366965264.db2.gz NVCJUHARSFEKLK-WCQYABFASA-N 1 1 277.412 2.101 20 70 CEIDMO C[C@H]([NH2+]CCC(C)(C)O)c1nc(Cc2ccccc2)no1 ZINC000160080516 366971545 /nfs/dbraw/zinc/97/15/45/366971545.db2.gz LCQOKIRBQONYQL-LBPRGKRZSA-N 1 1 289.379 2.472 20 70 CEIDMO Cc1nc2ccccn2c1C[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000160571227 367018172 /nfs/dbraw/zinc/01/81/72/367018172.db2.gz 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c1cc(CC[N@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)ccn1 ZINC000161398638 526421246 /nfs/dbraw/zinc/42/12/46/526421246.db2.gz ZYZUVBUQCXDCHO-OAHLLOKOSA-N 1 1 297.406 2.041 20 70 CEIDMO Cc1nccn1CCCC[N@H+](C)C[C@@H]1CCCCO1 ZINC000161450615 527393400 /nfs/dbraw/zinc/39/34/00/527393400.db2.gz UCNXLJBOOUIAFQ-HNNXBMFYSA-N 1 1 265.401 2.473 20 70 CEIDMO C[C@H]1CCCC[C@@H]1[N@@H+](C)CCCCS(C)(=O)=O ZINC000161370251 539279457 /nfs/dbraw/zinc/27/94/57/539279457.db2.gz IJDWIFZYGKCITD-STQMWFEESA-N 1 1 261.431 2.322 20 70 CEIDMO CCc1ccc([C@H](C)[NH2+]CC(=O)NCC(F)(F)F)o1 ZINC000160627675 529721017 /nfs/dbraw/zinc/72/10/17/529721017.db2.gz GPAXHVYCCZALDP-QMMMGPOBSA-N 1 1 278.274 2.171 20 70 CEIDMO COc1cccc(CCC[N@H+]2CCCC[C@H]2CC(N)=O)c1 ZINC000159856087 344455912 /nfs/dbraw/zinc/45/59/12/344455912.db2.gz CDYVTFWSKUIYHC-HNNXBMFYSA-N 1 1 290.407 2.358 20 70 CEIDMO CC(C)[N@@H+](C)CCNC(=O)[C@@H](C)Cc1ccccc1F ZINC000160182362 344457751 /nfs/dbraw/zinc/45/77/51/344457751.db2.gz OHWVIYWWVXSJQU-ZDUSSCGKSA-N 1 1 280.387 2.461 20 70 CEIDMO CCCN(CC1CC1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000160641567 344460236 /nfs/dbraw/zinc/46/02/36/344460236.db2.gz PNNVEMICORUHHA-OAHLLOKOSA-N 1 1 279.428 2.302 20 70 CEIDMO COC(CN(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)OC ZINC000161357374 232253483 /nfs/dbraw/zinc/25/34/83/232253483.db2.gz CLNBKIRVVPCVRC-MRXNPFEDSA-N 1 1 292.423 2.202 20 70 CEIDMO COC(C[N@H+](C)[C@@H]1CCCN(Cc2ccccc2)C1)OC ZINC000161357374 232253486 /nfs/dbraw/zinc/25/34/86/232253486.db2.gz CLNBKIRVVPCVRC-MRXNPFEDSA-N 1 1 292.423 2.202 20 70 CEIDMO COC(C[N@@H+](C)[C@@H]1CCCN(Cc2ccccc2)C1)OC ZINC000161357374 232253489 /nfs/dbraw/zinc/25/34/89/232253489.db2.gz CLNBKIRVVPCVRC-MRXNPFEDSA-N 1 1 292.423 2.202 20 70 CEIDMO Cc1[nH+]ccn1CCCN(C)C(=O)Nc1ccc(F)nc1 ZINC000160550873 188480499 /nfs/dbraw/zinc/48/04/99/188480499.db2.gz TVGLRSSTPUNUQS-UHFFFAOYSA-N 1 1 291.330 2.280 20 70 CEIDMO Cc1cc(C(=O)N2[C@H](C)C[N@@H+](C)C[C@@H]2C)cc(Cl)n1 ZINC000159422021 366912135 /nfs/dbraw/zinc/91/21/35/366912135.db2.gz UDDRQCQAPPSEEF-PHIMTYICSA-N 1 1 281.787 2.208 20 70 CEIDMO Cc1cc(C(=O)N2[C@H](C)C[N@H+](C)C[C@@H]2C)cc(Cl)n1 ZINC000159422021 366912140 /nfs/dbraw/zinc/91/21/40/366912140.db2.gz UDDRQCQAPPSEEF-PHIMTYICSA-N 1 1 281.787 2.208 20 70 CEIDMO CCOc1cccc(C[N@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)c1 ZINC000159505789 366920756 /nfs/dbraw/zinc/92/07/56/366920756.db2.gz LLXGZJZQIXAEOE-JSGCOSHPSA-N 1 1 276.380 2.171 20 70 CEIDMO CC(C)[N@@H+](CCc1nccs1)CC(=O)N(C)C1CC1 ZINC000159886194 366956242 /nfs/dbraw/zinc/95/62/42/366956242.db2.gz GWQODKSDZUHEFR-UHFFFAOYSA-N 1 1 281.425 2.017 20 70 CEIDMO C[N@@H+](CCCCCn1cccn1)C[C@@H]1CCC[C@@H]1O ZINC000159836220 366953470 /nfs/dbraw/zinc/95/34/70/366953470.db2.gz XSEMWCDZTMMQBW-GJZGRUSLSA-N 1 1 265.401 2.146 20 70 CEIDMO C[C@H]1C[C@@H]([NH2+]C[C@](C)(O)c2ccsc2)CCN1C ZINC000159885677 366955822 /nfs/dbraw/zinc/95/58/22/366955822.db2.gz VSTFKXBIMRRAJR-UBHSHLNASA-N 1 1 268.426 2.028 20 70 CEIDMO CC(C)CNC(=O)C[N@@H+](CCc1nccs1)C(C)C ZINC000159917479 366959273 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CCN1CC[C@H]([NH2+]CCCc2nc(C(C)C)no2)[C@H](C)C1 ZINC000160781763 521721241 /nfs/dbraw/zinc/72/12/41/521721241.db2.gz ZATVEOFZUQRRRJ-KGLIPLIRSA-N 1 1 294.443 2.446 20 70 CEIDMO CCn1cc([C@@H](C)NC[C@H]2CCCC[N@@H+]2CC)cn1 ZINC000161189689 523455529 /nfs/dbraw/zinc/45/55/29/523455529.db2.gz RIMQPLSKJSXPKP-UKRRQHHQSA-N 1 1 264.417 2.428 20 70 CEIDMO CCn1cc([C@@H](C)NC[C@H]2CCCC[N@H+]2CC)cn1 ZINC000161189689 523455537 /nfs/dbraw/zinc/45/55/37/523455537.db2.gz RIMQPLSKJSXPKP-UKRRQHHQSA-N 1 1 264.417 2.428 20 70 CEIDMO C[C@@H](C1CC1)N(C)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000160866985 524316711 /nfs/dbraw/zinc/31/67/11/524316711.db2.gz LKMDPQVYVVHBBT-JSGCOSHPSA-N 1 1 279.428 2.443 20 70 CEIDMO Cc1ccn(-c2ccccc2NC(=O)C[N@H+](C)C(C)C)n1 ZINC000161331007 525564000 /nfs/dbraw/zinc/56/40/00/525564000.db2.gz SGPOQNZKKPDPGT-UHFFFAOYSA-N 1 1 286.379 2.459 20 70 CEIDMO CCCNC(=O)[C@H](C)[N@@H+](C)Cc1cccc(N(C)C)c1 ZINC000159880238 528433679 /nfs/dbraw/zinc/43/36/79/528433679.db2.gz ATZFCEKWBYVOCW-ZDUSSCGKSA-N 1 1 277.412 2.099 20 70 CEIDMO CN(CC[N@@H+](C)CC1(O)CCCC1)c1ccccc1 ZINC000160086788 529904345 /nfs/dbraw/zinc/90/43/45/529904345.db2.gz WCPBBQBQISSUST-UHFFFAOYSA-N 1 1 262.397 2.360 20 70 CEIDMO CC[C@@H](NC(=O)NC[C@H]1CCC[N@@H+](C)C1)c1nccs1 ZINC000159456130 344455157 /nfs/dbraw/zinc/45/51/57/344455157.db2.gz VDGCVKGADNMYOA-VXGBXAGGSA-N 1 1 296.440 2.235 20 70 CEIDMO CCC(CC)CNC(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000160584087 344459637 /nfs/dbraw/zinc/45/96/37/344459637.db2.gz WZXIVRCOYDFTAI-AWEZNQCLSA-N 1 1 269.433 2.404 20 70 CEIDMO Cc1ccc(NC(=O)C[N@@H+](C)C[C@H]2CCC[C@@H]2O)cc1 ZINC000159611080 188434030 /nfs/dbraw/zinc/43/40/30/188434030.db2.gz DECWCLAZOKGACB-HIFRSBDPSA-N 1 1 276.380 2.026 20 70 CEIDMO CCC[N@@H+](CC)CCNc1ncnc2c1CCCC2 ZINC000217811318 540168981 /nfs/dbraw/zinc/16/89/81/540168981.db2.gz DEKWSMXPPBWFMM-UHFFFAOYSA-N 1 1 262.401 2.499 20 70 CEIDMO C[N@@H+](CCCCS(C)(=O)=O)CCCOc1ccccc1 ZINC000161428119 540820290 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COc1ccc(C[N@H+]2CCC[C@H]2C(N)=O)c2ccccc12 ZINC000160371970 366999465 /nfs/dbraw/zinc/99/94/65/366999465.db2.gz MRJJSMVWHBYDFE-HNNXBMFYSA-N 1 1 284.359 2.298 20 70 CEIDMO C[N@H+](CCCN1CCCCC1)C[C@@H]1CCCOC1 ZINC000161020789 367049965 /nfs/dbraw/zinc/04/99/65/367049965.db2.gz JWDPUZDMTPNBSQ-HNNXBMFYSA-N 1 1 254.418 2.221 20 70 CEIDMO C[N@@H+](CCCN1CCCCC1)C[C@@H]1CCCOC1 ZINC000161020789 367049970 /nfs/dbraw/zinc/04/99/70/367049970.db2.gz JWDPUZDMTPNBSQ-HNNXBMFYSA-N 1 1 254.418 2.221 20 70 CEIDMO C[C@H](NC(=O)[C@@H]1CSC[NH2+]1)c1ccc(F)cc1Cl ZINC000161149324 367062612 /nfs/dbraw/zinc/06/26/12/367062612.db2.gz ZYBJGLGJRQUEJF-CPCISQLKSA-N 1 1 288.775 2.319 20 70 CEIDMO CCN1CC[C@@H]([NH2+]C[C@@H](CO)c2ccccc2)[C@H](C)C1 ZINC000161460832 367088987 /nfs/dbraw/zinc/08/89/87/367088987.db2.gz LLMOIWCJJONFQX-HYVNUMGLSA-N 1 1 276.424 2.082 20 70 CEIDMO COc1ccc(CN[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000217642572 370198994 /nfs/dbraw/zinc/19/89/94/370198994.db2.gz KPJUCXOYCLFQQN-CVEARBPZSA-N 1 1 260.381 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1 1 298.184 2.138 20 70 CEIDMO