smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1/C(=N\c2cccc(F)c2)c2ccccc2N1C[NH+]1CCCCCC1 ZINC000003067980 204076993 /nfs/dbraw/zinc/07/69/93/204076993.db2.gz OXUHNFBXJHWJLW-ATJXCDBQSA-N 1 1 351.425 4.127 40 30 FIEBMO O/N=C1\CCCCCCCCCC[C@H]1[NH+]1CCN(c2ccccn2)CC1 ZINC000005605184 570632199 /nfs/dbraw/zinc/63/21/99/570632199.db2.gz CFTAIAJNRDHVAS-PAYQVUOSSA-N 1 1 358.530 4.317 40 30 FIEBMO C=CCOc1cccc(NC(=S)NCCC[N@@H+]2CCCC[C@@H]2CC)c1 ZINC000225583432 206118810 /nfs/dbraw/zinc/11/88/10/206118810.db2.gz RLSGIBUQZIHJST-SFHVURJKSA-N 1 1 361.555 4.192 40 30 FIEBMO CC(C)CNC(=S)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020097968 206328593 /nfs/dbraw/zinc/32/85/93/206328593.db2.gz XJPSRUJEKYTJAG-UHFFFAOYSA-N 1 1 367.562 4.335 40 30 FIEBMO CC[N@H+]1CC[C@](O)(/C=C/c2ccccc2)[C@H](C(=O)C=Cc2ccccc2)C1 ZINC000104269565 521723544 /nfs/dbraw/zinc/72/35/44/521723544.db2.gz ZXMJHHNQOAEYKW-SOFUSGGRSA-N 1 1 361.485 4.055 40 30 FIEBMO N#CCc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)cc1 ZINC000038849848 526484175 /nfs/dbraw/zinc/48/41/75/526484175.db2.gz YSNRGBIMYKMKRI-GOSISDBHSA-N 1 1 367.880 4.257 40 30 FIEBMO C=CCc1ccccc1OCCn1c(C[NH+]2CCCC2)nc2ccccc21 ZINC000076555490 519144674 /nfs/dbraw/zinc/14/46/74/519144674.db2.gz NUDCZLJIAFUGPZ-UHFFFAOYSA-N 1 1 361.489 4.440 40 30 FIEBMO C=CC(C)(C)c1[nH]c2cccc3c2c1C[C@@H]1[C@@H]3[C@@H](OC(C)=O)[C@H](C)C[N@H+]1C ZINC000034136803 560087478 /nfs/dbraw/zinc/08/74/78/560087478.db2.gz OSICWVVWEXKSBD-NDKINLCJSA-N 1 1 366.505 4.153 40 30 biogenic,in-vitro FIEBMO Cc1cncc(C[N@H+]2CCC[C@H]2c2cccc(Nc3ccc(C#N)nc3)n2)c1 ZINC000585295186 571126659 /nfs/dbraw/zinc/12/66/59/571126659.db2.gz OYOMYRHXWWAQQC-NRFANRHFSA-N 1 1 370.460 4.132 40 30 FIEBMO N#Cc1cccc(C[N@@H+]2CC[C@H](c3nc4cc(C(F)(F)F)ccc4[nH]3)C2)c1 ZINC000035446675 204283859 /nfs/dbraw/zinc/28/38/59/204283859.db2.gz ZFGXOEPOUMVTHJ-HNNXBMFYSA-N 1 1 370.378 4.443 40 30 biogenic,in-vitro FIEBMO N#Cc1cccc(C[N@H+]2CC[C@H](c3nc4ccc(C(F)(F)F)cc4[nH]3)C2)c1 ZINC000035446675 204283863 /nfs/dbraw/zinc/28/38/63/204283863.db2.gz ZFGXOEPOUMVTHJ-HNNXBMFYSA-N 1 1 370.378 4.443 40 30 biogenic,in-vitro FIEBMO N#Cc1cccc(C[N@@H+]2CC[C@H](c3nc4ccc(C(F)(F)F)cc4[nH]3)C2)c1 ZINC000035446675 204283865 /nfs/dbraw/zinc/28/38/65/204283865.db2.gz ZFGXOEPOUMVTHJ-HNNXBMFYSA-N 1 1 370.378 4.443 40 30 biogenic,in-vitro FIEBMO C#CCOc1cccc(C[NH2+][C@@H](Cc2ccsc2)c2nccs2)c1 ZINC000019014294 263373332 /nfs/dbraw/zinc/37/33/32/263373332.db2.gz UOHWVOWOPYKHRB-SFHVURJKSA-N 1 1 354.500 4.290 40 30 FIEBMO CCc1ccc(/N=C2/c3ccccc3N(C[N@@H+]3CCC[C@@H](C)C3)C2=O)cc1 ZINC000016161417 570866304 /nfs/dbraw/zinc/86/63/04/570866304.db2.gz WXVQNXPCUMIBKR-KAMJJXHCSA-N 1 1 361.489 4.406 40 30 FIEBMO CCc1ccc(/N=C2/c3ccccc3N(C[N@H+]3CCC[C@@H](C)C3)C2=O)cc1 ZINC000016161417 570866307 /nfs/dbraw/zinc/86/63/07/570866307.db2.gz WXVQNXPCUMIBKR-KAMJJXHCSA-N 1 1 361.489 4.406 40 30 FIEBMO C=C(C)Cn1nc(C)c(C[N@H+]2CCC[C@](O)(c3ccc(F)cc3)CC2)c1C ZINC000012188843 571117634 /nfs/dbraw/zinc/11/76/34/571117634.db2.gz SXFBCWDZHKNLBJ-JOCHJYFZSA-N 1 1 371.500 4.089 40 30 FIEBMO CN(C)c1ccc(/C=[NH+]/NCc2ccc(Cl)cc2)cc1Br ZINC000010118840 570813562 /nfs/dbraw/zinc/81/35/62/570813562.db2.gz RPLVLMQATJNXAO-RGVLZGJSSA-N 1 1 366.690 4.292 40 30 FIEBMO C#CCOc1cccc(C[NH2+][C@@H](Cc2cccs2)c2nccs2)c1 ZINC000072341755 571053614 /nfs/dbraw/zinc/05/36/14/571053614.db2.gz BIAKKVBMYTYKBX-SFHVURJKSA-N 1 1 354.500 4.290 40 30 FIEBMO C=CCNc1nc(-c2ccccn2)nc2c1CC[N@@H+](Cc1ccc(C)cc1)C2 ZINC000012123302 571117655 /nfs/dbraw/zinc/11/76/55/571117655.db2.gz JBHWGDZQYSDRSN-UHFFFAOYSA-N 1 1 371.488 4.003 40 30 FIEBMO C=CCNc1nc(-c2ccccn2)nc2c1CC[N@H+](Cc1ccc(C)cc1)C2 ZINC000012123302 571117657 /nfs/dbraw/zinc/11/76/57/571117657.db2.gz JBHWGDZQYSDRSN-UHFFFAOYSA-N 1 1 371.488 4.003 40 30 FIEBMO C#CCOc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1CC(O)(c1ccc(C)cc1)C2 ZINC000012345644 571118037 /nfs/dbraw/zinc/11/80/37/571118037.db2.gz KBYSACXUAHUKAW-RIKCKFAHSA-N 1 1 361.485 4.022 40 30 FIEBMO O=[N+]([O-])c1cccc(CO/[NH+]=C/c2ccc(N3CCCCC3)c(F)c2)c1 ZINC000408595521 570576048 /nfs/dbraw/zinc/57/60/48/570576048.db2.gz XFFWHPYURHNZGU-FYJGNVAPSA-N 1 1 357.385 4.275 40 30 FIEBMO Cc1ccc(C[N@H+]2CCC[C@H]2c2cccc(Nc3ccc(C#N)nc3)n2)o1 ZINC000585294390 571127093 /nfs/dbraw/zinc/12/70/93/571127093.db2.gz DQQMIRKBWDEPTA-FQEVSTJZSA-N 1 1 359.433 4.330 40 30 FIEBMO CCC(C)N=Nc1nc2cc(Cl)c(N3CC[NH+](CC)CC3)cc2s1 ZINC000057332272 535227093 /nfs/dbraw/zinc/22/70/93/535227093.db2.gz JTXUPHOWAFOZET-NDENLUEZSA-N 1 1 365.934 4.289 40 30 FIEBMO O=C(C[C@@H]1CCCC[C@H]1O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000330263378 567969517 /nfs/dbraw/zinc/96/95/17/567969517.db2.gz WKQSWGVYBWSDIJ-QHAWAJNXSA-N 1 1 358.526 4.186 40 30 FIEBMO CCN(CC)c1ccc(/C=[NH+]/OCc2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000408594595 570575667 /nfs/dbraw/zinc/57/56/67/570575667.db2.gz UEWXGPRXWWKFSZ-DEDYPNTBSA-N 1 1 357.410 4.000 40 30 FIEBMO C=CCOc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000030940546 571151011 /nfs/dbraw/zinc/15/10/11/571151011.db2.gz HOJMRDDPUPFGCS-GOSISDBHSA-N 1 1 368.452 4.241 40 30 FIEBMO C[N@H+]1CCc2nc(Cl)c(C#N)c(-c3ccccc3Br)c2C1 ZINC000096511131 209154440 /nfs/dbraw/zinc/15/44/40/209154440.db2.gz ZXEAEZHIDOYDDN-UHFFFAOYSA-N 1 1 362.658 4.024 40 30 FIEBMO CN(C)c1ccc(/C=[NH+]/NCc2ccccc2Cl)cc1Br ZINC000008811504 570786703 /nfs/dbraw/zinc/78/67/03/570786703.db2.gz LVHPKANEUMVVRU-VXLYETTFSA-N 1 1 366.690 4.292 40 30 FIEBMO CC(C)CC(=O)Nc1sc2c(c1C#N)CC[N@@H+](Cc1ccccc1)C2 ZINC000014162798 570844951 /nfs/dbraw/zinc/84/49/51/570844951.db2.gz HESZVIDAWSDIEN-UHFFFAOYSA-N 1 1 353.491 4.163 40 30 FIEBMO CC(C)CC(=O)Nc1sc2c(c1C#N)CC[N@H+](Cc1ccccc1)C2 ZINC000014162798 570844953 /nfs/dbraw/zinc/84/49/53/570844953.db2.gz HESZVIDAWSDIEN-UHFFFAOYSA-N 1 1 353.491 4.163 40 30 FIEBMO Cc1nn(C)c(C)c1[C@H](C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000328846380 571232363 /nfs/dbraw/zinc/23/23/63/571232363.db2.gz AKSSQVITZMTLEM-WILYLXEWSA-N 1 1 374.916 4.196 40 30 FIEBMO Cc1nn(C)c(C)c1[C@H](C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000328846380 571232365 /nfs/dbraw/zinc/23/23/65/571232365.db2.gz AKSSQVITZMTLEM-WILYLXEWSA-N 1 1 374.916 4.196 40 30 FIEBMO Clc1ccc(N[NH+]=Cc2ccc(N3CCOCC3)cc2)cc1Cl ZINC000005331338 570624018 /nfs/dbraw/zinc/62/40/18/570624018.db2.gz MCMCGAHCSVSWEG-UDWIEESQSA-N 1 1 350.249 4.276 40 30 FIEBMO C=CCOc1ccc(NC(=S)NCCC[N@@H+]2CCCC[C@@H]2CC)cc1 ZINC000225583385 519039363 /nfs/dbraw/zinc/03/93/63/519039363.db2.gz CHXQEMYRVLHPHY-SFHVURJKSA-N 1 1 361.555 4.192 40 30 FIEBMO N#Cc1cc(Cl)ccc1C[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000187258557 571150350 /nfs/dbraw/zinc/15/03/50/571150350.db2.gz MKZDCTFQJOVVIC-UHFFFAOYSA-N 1 1 350.853 4.468 40 30 FIEBMO CCCCCCCCN(CCO)CC[N@@H+](CCO)CCCCCCCC ZINC000100925695 222257988 /nfs/dbraw/zinc/25/79/88/222257988.db2.gz FCHOFEOOSFOXJW-UHFFFAOYSA-N 1 1 372.638 4.296 40 30 FIEBMO CCc1ccc(/N=C2/c3ccccc3N(C[N@@H+]3CCC[C@H](C)C3)C2=O)cc1 ZINC000016161419 570866347 /nfs/dbraw/zinc/86/63/47/570866347.db2.gz WXVQNXPCUMIBKR-ISWCOFGISA-N 1 1 361.489 4.406 40 30 FIEBMO CCc1ccc(/N=C2/c3ccccc3N(C[N@H+]3CCC[C@H](C)C3)C2=O)cc1 ZINC000016161419 570866348 /nfs/dbraw/zinc/86/63/48/570866348.db2.gz WXVQNXPCUMIBKR-ISWCOFGISA-N 1 1 361.489 4.406 40 30 FIEBMO Cc1ccc(C[N@H+]2CCC[C@@H]2c2cccc(Nc3ccc(C#N)nc3)n2)o1 ZINC000585294392 571126635 /nfs/dbraw/zinc/12/66/35/571126635.db2.gz DQQMIRKBWDEPTA-HXUWFJFHSA-N 1 1 359.433 4.330 40 30 FIEBMO CC[N@H+]1CC[C@](O)(/C=C\c2ccccc2)[C@H](C(=O)C=Cc2ccccc2)C1 ZINC000008652723 207240927 /nfs/dbraw/zinc/24/09/27/207240927.db2.gz ZXMJHHNQOAEYKW-WZKBOYQBSA-N 1 1 361.485 4.055 40 30 FIEBMO CN(C)CC[N@@H+](C)CC(C)(C)C(=O)/C=C\c1ccc(Cl)c(Cl)c1 ZINC000023477934 570964513 /nfs/dbraw/zinc/96/45/13/570964513.db2.gz MHGBXBZZDKXTGI-CLFYSBASSA-N 1 1 357.325 4.095 40 30 FIEBMO N#CC1(c2ccc(NC(=O)[C@H]3CCC[N@@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000225901801 571078887 /nfs/dbraw/zinc/07/88/87/571078887.db2.gz XJCHZVXQWCPHCQ-IBGZPJMESA-N 1 1 359.473 4.092 40 30 FIEBMO CCCCNC(=S)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000013556488 519887055 /nfs/dbraw/zinc/88/70/55/519887055.db2.gz WLCYUFXGZYFLRT-UHFFFAOYSA-N 1 1 367.562 4.480 40 30 FIEBMO C=CC[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)Nc1ccccc1C(F)(F)F)C2 ZINC000004887886 570672757 /nfs/dbraw/zinc/67/27/57/570672757.db2.gz WPBRIIFXOWZNSD-GOOCMWNKSA-N 1 1 367.415 4.398 40 30 FIEBMO N#CCc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)cc1 ZINC000038849849 526484427 /nfs/dbraw/zinc/48/44/27/526484427.db2.gz YSNRGBIMYKMKRI-SFHVURJKSA-N 1 1 367.880 4.257 40 30 FIEBMO COc1cc(N2CCCCC2)ccc1/C=[NH+]/OCc1cccc([N+](=O)[O-])c1 ZINC000408590112 570567781 /nfs/dbraw/zinc/56/77/81/570567781.db2.gz GDJOEBLJPCCDAC-KGENOOAVSA-N 1 1 369.421 4.144 40 30 FIEBMO O/N=C1\CCCCCCCCCC[C@@H]1[NH+]1CCN(c2ccccn2)CC1 ZINC000005605186 570632211 /nfs/dbraw/zinc/63/22/11/570632211.db2.gz CFTAIAJNRDHVAS-LOKSUBMMSA-N 1 1 358.530 4.317 40 30 FIEBMO Cc1cccnc1C[N@H+]1CCC[C@H]1c1cccc(Nc2ccc(C#N)nc2)n1 ZINC000585295267 570507114 /nfs/dbraw/zinc/50/71/14/570507114.db2.gz SFJTUJCKLOVAEL-NRFANRHFSA-N 1 1 370.460 4.132 40 30 FIEBMO Cc1cc(N2CCCC2)c(F)cc1/C=[NH+]/OCc1cccc([N+](=O)[O-])c1 ZINC000408593715 570575096 /nfs/dbraw/zinc/57/50/96/570575096.db2.gz RBOQRHOZFFGSGE-CIAFOILYSA-N 1 1 357.385 4.193 40 30 FIEBMO CC(C)COc1ccc(/C=N\c2sc3c(c2C#N)CC[N@@H+](C)C3)cc1 ZINC000408605761 570578122 /nfs/dbraw/zinc/57/81/22/570578122.db2.gz YTKMAESWONRZJI-JJFYIABZSA-N 1 1 353.491 4.393 40 30 FIEBMO CC(C)COc1ccc(/C=N\c2sc3c(c2C#N)CC[N@H+](C)C3)cc1 ZINC000408605761 570578124 /nfs/dbraw/zinc/57/81/24/570578124.db2.gz YTKMAESWONRZJI-JJFYIABZSA-N 1 1 353.491 4.393 40 30 FIEBMO C#CCOc1cccc(C[NH2+][C@H](Cc2ccsc2)c2nccs2)c1 ZINC000019014296 263373355 /nfs/dbraw/zinc/37/33/55/263373355.db2.gz UOHWVOWOPYKHRB-GOSISDBHSA-N 1 1 354.500 4.290 40 30 FIEBMO O=[N+]([O-])c1cc(C=[NH+]Nc2ccccc2)ccc1C=NNc1ccccc1 ZINC000033375116 527326667 /nfs/dbraw/zinc/32/66/67/527326667.db2.gz UTIDRDPVRYJJNO-BILXGNRESA-N 1 1 359.389 4.487 40 30 FIEBMO O=C(C[C@@H]1CCCC[C@H]1O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000330263377 567969353 /nfs/dbraw/zinc/96/93/53/567969353.db2.gz WKQSWGVYBWSDIJ-PCCBWWKXSA-N 1 1 358.526 4.186 40 30 FIEBMO N#CCc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1 ZINC000038849844 526484544 /nfs/dbraw/zinc/48/45/44/526484544.db2.gz WGUMLPGAYNSDQW-SFHVURJKSA-N 1 1 367.880 4.257 40 30 FIEBMO C[N@@H+](CCC[C@@]1(c2ccc(F)cc2)OCc2cc(C#N)ccc21)C1CC1 ZINC000091351794 571319016 /nfs/dbraw/zinc/31/90/16/571319016.db2.gz WIOPBHBPZBWTAL-QFIPXVFZSA-N 1 1 350.437 4.346 40 30 FIEBMO O=[N+]([O-])c1ccc(/C(=[NH+]\c2cccc3ccccc32)N2CCOCC2)cc1 ZINC000013151569 220059458 /nfs/dbraw/zinc/05/94/58/220059458.db2.gz FGMGXFJXEJACCS-QURGRASLSA-N 1 1 361.401 4.159 40 30 FIEBMO N#CC1(c2ccc(NC(=O)[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000225901783 571078806 /nfs/dbraw/zinc/07/88/06/571078806.db2.gz XJCHZVXQWCPHCQ-LJQANCHMSA-N 1 1 359.473 4.092 40 30 FIEBMO CN(C)CC[N@@H+](C)CC(C)(C)C(=O)/C=C/c1ccc(Cl)c(Cl)c1 ZINC000019364926 211219021 /nfs/dbraw/zinc/21/90/21/211219021.db2.gz MHGBXBZZDKXTGI-VQHVLOKHSA-N 1 1 357.325 4.095 40 30 FIEBMO N#Cc1ccc2[nH]c([C@H]3CC[N@H+](Cc4ccc(C(F)(F)F)cc4)C3)nc2c1 ZINC000035446867 560079208 /nfs/dbraw/zinc/07/92/08/560079208.db2.gz CYTQXYLHLAYSKD-HNNXBMFYSA-N 1 1 370.378 4.443 40 30 biogenic,in-vitro FIEBMO N#Cc1ccc2nc([C@H]3CC[N@@H+](Cc4ccc(C(F)(F)F)cc4)C3)[nH]c2c1 ZINC000035446867 560079209 /nfs/dbraw/zinc/07/92/09/560079209.db2.gz CYTQXYLHLAYSKD-HNNXBMFYSA-N 1 1 370.378 4.443 40 30 biogenic,in-vitro FIEBMO N#Cc1ccc2nc([C@H]3CC[N@H+](Cc4ccc(C(F)(F)F)cc4)C3)[nH]c2c1 ZINC000035446867 560079210 /nfs/dbraw/zinc/07/92/10/560079210.db2.gz CYTQXYLHLAYSKD-HNNXBMFYSA-N 1 1 370.378 4.443 40 30 biogenic,in-vitro FIEBMO Cc1ccc(C[N@H+]2CCC[C@@H]2c2cccc(Nc3ccc(C#N)nc3)n2)nc1 ZINC000585294478 571126523 /nfs/dbraw/zinc/12/65/23/571126523.db2.gz GFLZMEMEVFOUSY-OAQYLSRUSA-N 1 1 370.460 4.132 40 30 FIEBMO Cc1ccc(C[N@H+]2CCC[C@@H]2c2cccc(Nc3ccc(C#N)nc3)n2)cn1 ZINC000585294041 571127138 /nfs/dbraw/zinc/12/71/38/571127138.db2.gz MXKDJEKHWBZOPG-OAQYLSRUSA-N 1 1 370.460 4.132 40 30 FIEBMO CC(C)COc1ccccc1/C=N\c1sc2c(c1C#N)CC[N@@H+](C)C2 ZINC000408600905 570579132 /nfs/dbraw/zinc/57/91/32/570579132.db2.gz GWCSCGDVNDHXNQ-JJFYIABZSA-N 1 1 353.491 4.393 40 30 FIEBMO CC(C)COc1ccccc1/C=N\c1sc2c(c1C#N)CC[N@H+](C)C2 ZINC000408600905 570579134 /nfs/dbraw/zinc/57/91/34/570579134.db2.gz GWCSCGDVNDHXNQ-JJFYIABZSA-N 1 1 353.491 4.393 40 30 FIEBMO N#Cc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)c1 ZINC000225904224 571338938 /nfs/dbraw/zinc/33/89/38/571338938.db2.gz ZYACBEZCUWSCRW-KRWDZBQOSA-N 1 1 353.853 4.062 40 30 FIEBMO C/C(=N/N1CC[NH+](Cc2ccc(C)cc2C)CC1)c1ccc(Cl)cc1 ZINC000028351325 571339057 /nfs/dbraw/zinc/33/90/57/571339057.db2.gz DZNPUQMLACPZNK-NKFKGCMQSA-N 1 1 355.913 4.499 40 30 FIEBMO N#Cc1ccc(C[N@@H+]2CC[C@H](c3nnc(-c4ccc(Cl)cc4)o3)C2)cc1 ZINC000049169403 221020844 /nfs/dbraw/zinc/02/08/44/221020844.db2.gz ABFCIAZWIWSORP-KRWDZBQOSA-N 1 1 364.836 4.251 40 30 biogenic,in-vitro FIEBMO C[N@H+]1CCc2nc(Cl)c(C#N)c(-c3ccc(Br)cc3)c2C1 ZINC000096511130 222122575 /nfs/dbraw/zinc/12/25/75/222122575.db2.gz JQAQMYNQTVGESK-UHFFFAOYSA-N 1 1 362.658 4.024 40 30 FIEBMO C=CCOc1cccc(NC(=S)NCCC[N@@H+]2CCCC[C@H]2CC)c1 ZINC000260739999 571121703 /nfs/dbraw/zinc/12/17/03/571121703.db2.gz RLSGIBUQZIHJST-GOSISDBHSA-N 1 1 361.555 4.192 40 30 FIEBMO Cc1ccc(C[NH+]2CCN(/N=C\c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000019594610 220278903 /nfs/dbraw/zinc/27/89/03/220278903.db2.gz PGKQAVXAGFHWQZ-XKZIYDEJSA-N 1 1 362.304 4.454 40 30 FIEBMO C[N@H+]1CCc2nc(Cl)c(C#N)c(-c3cccc(Br)c3)c2C1 ZINC000096511133 222122147 /nfs/dbraw/zinc/12/21/47/222122147.db2.gz BMEPDHJRBMELRH-UHFFFAOYSA-N 1 1 362.658 4.024 40 30 FIEBMO Cc1nn(C)c(C)c1[C@H](C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000328846379 571232395 /nfs/dbraw/zinc/23/23/95/571232395.db2.gz AKSSQVITZMTLEM-OEPMTFCVSA-N 1 1 374.916 4.196 40 30 FIEBMO Cc1nn(C)c(C)c1[C@H](C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000328846379 571232396 /nfs/dbraw/zinc/23/23/96/571232396.db2.gz AKSSQVITZMTLEM-OEPMTFCVSA-N 1 1 374.916 4.196 40 30 FIEBMO CC[N@H+]1CC[C@](O)(/C=C/c2ccccc2)[C@H](C(=O)C=Cc2ccccc2)C1 ZINC000005765420 521723687 /nfs/dbraw/zinc/72/36/87/521723687.db2.gz ZXMJHHNQOAEYKW-LCFJVVSLSA-N 1 1 361.485 4.055 40 30 FIEBMO N#CCc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1 ZINC000038849845 526483799 /nfs/dbraw/zinc/48/37/99/526483799.db2.gz WGUMLPGAYNSDQW-GOSISDBHSA-N 1 1 367.880 4.257 40 30 FIEBMO C=CCOc1ccc(NC(=S)NCCC[N@@H+]2CCCC[C@H]2CC)cc1 ZINC000260732876 571121731 /nfs/dbraw/zinc/12/17/31/571121731.db2.gz CHXQEMYRVLHPHY-GOSISDBHSA-N 1 1 361.555 4.192 40 30 FIEBMO Cc1cncc(C[N@H+]2CCC[C@@H]2c2cccc(Nc3ccc(C#N)nc3)n2)c1 ZINC000585295187 571125885 /nfs/dbraw/zinc/12/58/85/571125885.db2.gz OYOMYRHXWWAQQC-OAQYLSRUSA-N 1 1 370.460 4.132 40 30 FIEBMO C=CCOc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c1 ZINC000030940720 571151047 /nfs/dbraw/zinc/15/10/47/571151047.db2.gz OWZTWINCSCBVPJ-SFHVURJKSA-N 1 1 368.452 4.241 40 30 FIEBMO Cc1cccnc1C[N@H+]1CCC[C@@H]1c1cccc(Nc2ccc(C#N)nc2)n1 ZINC000585295268 570507075 /nfs/dbraw/zinc/50/70/75/570507075.db2.gz SFJTUJCKLOVAEL-OAQYLSRUSA-N 1 1 370.460 4.132 40 30 FIEBMO C#CCOc1cccc(C[NH2+][C@H](Cc2cccs2)c2nccs2)c1 ZINC000072341756 571053520 /nfs/dbraw/zinc/05/35/20/571053520.db2.gz BIAKKVBMYTYKBX-GOSISDBHSA-N 1 1 354.500 4.290 40 30 FIEBMO CC[N@H+]1CC[C@](O)(/C=C\c2ccccc2)[C@H](C(=O)C=Cc2ccccc2)C1 ZINC000104269561 521723899 /nfs/dbraw/zinc/72/38/99/521723899.db2.gz ZXMJHHNQOAEYKW-JDUDBTKUSA-N 1 1 361.485 4.055 40 30 FIEBMO C=CCOc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c1 ZINC000030940717 571151108 /nfs/dbraw/zinc/15/11/08/571151108.db2.gz OWZTWINCSCBVPJ-GOSISDBHSA-N 1 1 368.452 4.241 40 30 FIEBMO CCCN1Cc2cc3c(C)nn(-c4ccccc4)c3nc2S/C1=[NH+]\C ZINC000257275150 571156899 /nfs/dbraw/zinc/15/68/99/571156899.db2.gz NOBWVCFTMZHYDP-VXPUYCOJSA-N 1 1 351.479 4.032 40 30 FIEBMO C=CCOc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000030940549 263391148 /nfs/dbraw/zinc/39/11/48/263391148.db2.gz HOJMRDDPUPFGCS-SFHVURJKSA-N 1 1 368.452 4.241 40 30 FIEBMO C=C(C)Cn1nc(C)c(C[N@H+]2CCC[C@@](O)(c3ccc(F)cc3)CC2)c1C ZINC000012188842 571117629 /nfs/dbraw/zinc/11/76/29/571117629.db2.gz SXFBCWDZHKNLBJ-QFIPXVFZSA-N 1 1 371.500 4.089 40 30 FIEBMO Cc1ccc(C[N@H+]2CCC[C@H]2c2cccc(Nc3ccc(C#N)nc3)n2)cn1 ZINC000585294040 571126579 /nfs/dbraw/zinc/12/65/79/571126579.db2.gz MXKDJEKHWBZOPG-NRFANRHFSA-N 1 1 370.460 4.132 40 30 FIEBMO CSc1ccc(/C=N\N2CC[NH+](Cc3ccc(C)cc3C)CC2)cc1 ZINC000015745808 525950966 /nfs/dbraw/zinc/95/09/66/525950966.db2.gz BJXHKJWEHKPVJK-JCMHNJIXSA-N 1 1 353.535 4.177 40 30 FIEBMO Cc1ccc(C[N@H+]2CCC[C@H]2c2cccc(Nc3ccc(C#N)nc3)n2)nc1 ZINC000585294477 571126625 /nfs/dbraw/zinc/12/66/25/571126625.db2.gz GFLZMEMEVFOUSY-NRFANRHFSA-N 1 1 370.460 4.132 40 30 FIEBMO N#Cc1c(NC(=O)c2ccco2)sc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000021345870 571334221 /nfs/dbraw/zinc/33/42/21/571334221.db2.gz DXFPLTKHNXLFNW-UHFFFAOYSA-N 1 1 363.442 4.023 40 30 FIEBMO N#Cc1c(NC(=O)c2ccco2)sc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000021345870 571334222 /nfs/dbraw/zinc/33/42/22/571334222.db2.gz DXFPLTKHNXLFNW-UHFFFAOYSA-N 1 1 363.442 4.023 40 30 FIEBMO N#Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)c1 ZINC000225904207 571338988 /nfs/dbraw/zinc/33/89/88/571338988.db2.gz ZYACBEZCUWSCRW-QGZVFWFLSA-N 1 1 353.853 4.062 40 30 FIEBMO