smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@H](C[NH2+][C@@H](C)c1cncs1)Oc1ccccc1Cl ZINC000160439284 332794915 /nfs/dbraw/zinc/79/49/15/332794915.db2.gz GDJGNJWKVKBBSN-NWDGAFQWSA-N 1 0 310.850 4.305 20 70 DIIDRO CC[C@H](C[NH2+][C@@H](C)c1cncc(F)c1)Oc1ccccc1Cl ZINC000160449960 332796722 /nfs/dbraw/zinc/79/67/22/332796722.db2.gz DSHRGGGZKHIXLA-SWLSCSKDSA-N 1 0 322.811 4.382 20 70 DIIDRO CCCNC(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(C)cc2C)c1 ZINC000160618274 332838833 /nfs/dbraw/zinc/83/88/33/332838833.db2.gz GNQCAKRSRDYBFC-KRWDZBQOSA-N 1 0 324.468 4.294 20 70 DIIDRO C[C@H]([NH2+]CCCOc1ccc2ccccc2c1)c1ccccn1 ZINC000159384050 332082055 /nfs/dbraw/zinc/08/20/55/332082055.db2.gz CLFBWQLPANERLD-INIZCTEOSA-N 1 0 306.409 4.355 20 70 DIIDRO CCOc1cccc(C[NH2+][C@H](C)c2sc(CC)nc2C)c1 ZINC000159382387 332082122 /nfs/dbraw/zinc/08/21/22/332082122.db2.gz HIVSOGXZQMFTTO-GFCCVEGCSA-N 1 0 304.459 4.263 20 70 DIIDRO Cc1ccccc1[C@H](C)[NH2+]Cc1cccc(OCC(F)F)c1 ZINC000159416548 332099919 /nfs/dbraw/zinc/09/99/19/332099919.db2.gz BIDHWZROEWBRKT-AWEZNQCLSA-N 1 0 305.368 4.490 20 70 DIIDRO C[C@H]([NH2+]CCCN1CCCC1=O)c1cccc(-c2ccccc2)c1 ZINC000159469751 332136797 /nfs/dbraw/zinc/13/67/97/332136797.db2.gz LXFKDOYRAUSOHE-KRWDZBQOSA-N 1 0 322.452 4.017 20 70 DIIDRO C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+][C@@H]1CCCSC1 ZINC000159584936 332674457 /nfs/dbraw/zinc/67/44/57/332674457.db2.gz KYLATXXCVNAZID-FRRDWIJNSA-N 1 0 306.500 4.274 20 70 DIIDRO COc1ccc([C@H](C)[NH2+]Cc2coc3ccccc23)c(OC)c1 ZINC000159803118 332707658 /nfs/dbraw/zinc/70/76/58/332707658.db2.gz VPLVTNYQSLDCCW-ZDUSSCGKSA-N 1 0 311.381 4.301 20 70 DIIDRO CCCC(=O)Nc1cccc(C[NH2+][C@H]2CCc3ccccc32)c1 ZINC000159884284 332721390 /nfs/dbraw/zinc/72/13/90/332721390.db2.gz LZBSJWYKJATEGR-IBGZPJMESA-N 1 0 308.425 4.202 20 70 DIIDRO C[C@H]([NH2+]CCC1CCN(CC(F)(F)F)CC1)c1ccccc1 ZINC000159971545 332738926 /nfs/dbraw/zinc/73/89/26/332738926.db2.gz JRPPZKQOAAQRCD-AWEZNQCLSA-N 1 0 314.395 4.002 20 70 DIIDRO COc1ccc(OC)c([C@@H](C)[NH2+][C@@H]2CCc3c2cccc3C)c1 ZINC000159975377 332740647 /nfs/dbraw/zinc/74/06/47/332740647.db2.gz LABQHNKMLXGQQQ-AUUYWEPGSA-N 1 0 311.425 4.350 20 70 DIIDRO COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1ccc(OC(C)C)nc1 ZINC000160065177 332755050 /nfs/dbraw/zinc/75/50/50/332755050.db2.gz SQKYBCKYAXTHNG-OAHLLOKOSA-N 1 0 314.429 4.037 20 70 DIIDRO C[NH+]1CCC(N[C@@H](c2cccs2)c2ccc(Cl)cc2)CC1 ZINC000160440705 333343060 /nfs/dbraw/zinc/34/30/60/333343060.db2.gz YIVOWKVXADDBTI-QGZVFWFLSA-N 1 0 320.889 4.175 20 70 DIIDRO CC[C@H]([NH2+]CCCc1nc(C(C)C)no1)c1ccc(C)cc1 ZINC000160766171 333368314 /nfs/dbraw/zinc/36/83/14/333368314.db2.gz UMSXSZVBEQCXBA-INIZCTEOSA-N 1 0 301.434 4.175 20 70 DIIDRO CC(C)COCC[NH2+][C@H](C)c1nc(-c2ccccc2)cs1 ZINC000160715445 333479905 /nfs/dbraw/zinc/47/99/05/333479905.db2.gz LPDMHASVXGOBBC-CQSZACIVSA-N 1 0 304.459 4.133 20 70 DIIDRO CC[C@@H]([NH2+][C@H](C)C(=O)N1CCCCCC1)c1ccc(Cl)cc1 ZINC000218038213 337082476 /nfs/dbraw/zinc/08/24/76/337082476.db2.gz VSAYXYKJQZNJGK-RHSMWYFYSA-N 1 0 322.880 4.172 20 70 DIIDRO CCCCC1CCC(C[NH2+]C2CCC(NC(C)=O)CC2)CC1 ZINC000161353881 337582586 /nfs/dbraw/zinc/58/25/86/337582586.db2.gz AILTXIKXGPASKI-UHFFFAOYSA-N 1 0 308.510 4.020 20 70 DIIDRO CCC(CC)[C@@H]([NH2+]C1CCC(NC(C)=O)CC1)c1cccs1 ZINC000161451058 337585143 /nfs/dbraw/zinc/58/51/43/337585143.db2.gz WDDNFVPGPUVSRF-LEOMRAHMSA-N 1 0 322.518 4.262 20 70 DIIDRO CCN(C(=O)C[NH2+][C@@H](C)c1cc2ccccc2o1)c1ccccc1 ZINC000216687847 337602799 /nfs/dbraw/zinc/60/27/99/337602799.db2.gz KREZFOFUFVZWOO-HNNXBMFYSA-N 1 0 322.408 4.137 20 70 DIIDRO COc1ccc([C@@H](C)[NH2+]CCCOc2ccc(F)cc2)cc1F ZINC000216769812 337905152 /nfs/dbraw/zinc/90/51/52/337905152.db2.gz FYEYULHLMMVRJV-CYBMUJFWSA-N 1 0 321.367 4.093 20 70 DIIDRO Fc1cc(Cl)cc(C[NH2+]Cc2ccccc2OC(F)F)c1 ZINC000160817966 338566159 /nfs/dbraw/zinc/56/61/59/338566159.db2.gz KKWBJHQBXGYKFO-UHFFFAOYSA-N 1 0 315.722 4.370 20 70 DIIDRO CCNC(=O)c1cccc(C[NH2+][C@@H]2CC[C@H](C)c3ccccc32)c1 ZINC000160189950 519898454 /nfs/dbraw/zinc/89/84/54/519898454.db2.gz XWDLTUOTMCCHRP-MGPUTAFESA-N 1 0 322.452 4.165 20 70 DIIDRO CCC[C@@H]([NH2+]Cc1cccc(C(=O)NCC)c1)c1ccccc1 ZINC000160155657 520783716 /nfs/dbraw/zinc/78/37/16/520783716.db2.gz SHMWDIZAQCCTQJ-LJQANCHMSA-N 1 0 310.441 4.067 20 70 DIIDRO CC[C@H]([NH2+]Cc1cccc(NC(C)=O)c1)c1ccc(F)cc1F ZINC000160756395 522656462 /nfs/dbraw/zinc/65/64/62/522656462.db2.gz PETVKILTFPKJNZ-SFHVURJKSA-N 1 0 318.367 4.164 20 70 DIIDRO Cc1ccccc1C[C@H](C)[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000160765130 525198481 /nfs/dbraw/zinc/19/84/81/525198481.db2.gz YYYNNODXYSUIHS-PONJGIIJSA-N 1 0 315.482 4.014 20 70 DIIDRO C[C@H]([NH2+]C1CCN(C)CC1)c1cccc(OCc2ccccc2)c1 ZINC000161414515 525292803 /nfs/dbraw/zinc/29/28/03/525292803.db2.gz NMVNQQUMLSWVAB-KRWDZBQOSA-N 1 0 324.468 4.010 20 70 DIIDRO C[C@H]([NH2+]CC1(Sc2ccccc2)CCCC1)c1cnccn1 ZINC000160352541 525318300 /nfs/dbraw/zinc/31/83/00/525318300.db2.gz QBLFKTWPBRXMDP-HNNXBMFYSA-N 1 0 313.470 4.232 20 70 DIIDRO Cc1ccccc1[C@@H](C)[NH2+]C1CCN([C@H](C)c2ccncc2)CC1 ZINC000159886980 525358482 /nfs/dbraw/zinc/35/84/82/525358482.db2.gz OSEIKTXQZPFOKH-QZTJIDSGSA-N 1 0 323.484 4.266 20 70 DIIDRO C[C@@H]([NH2+]C1CCN(C)CC1)c1cccc(OCc2ccccc2)c1 ZINC000161414639 525403158 /nfs/dbraw/zinc/40/31/58/525403158.db2.gz NMVNQQUMLSWVAB-QGZVFWFLSA-N 1 0 324.468 4.010 20 70 DIIDRO C[C@@H]([NH2+][C@H](CCO)c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000161073715 525666756 /nfs/dbraw/zinc/66/67/56/525666756.db2.gz ZADLFBSVTFYCCL-CXAGYDPISA-N 1 0 321.367 4.062 20 70 DIIDRO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+][C@@H]1CCCSC1 ZINC000159600407 526611872 /nfs/dbraw/zinc/61/18/72/526611872.db2.gz TWEHDXRMZUMEHQ-SMDDNHRTSA-N 1 0 319.499 4.060 20 70 DIIDRO Cc1nc(C(C)C)sc1[C@H](C)[NH2+]C[C@](C)(O)c1ccsc1 ZINC000159923927 526680120 /nfs/dbraw/zinc/68/01/20/526680120.db2.gz QTRIYIDBQGCSSY-ZBEGNZNMSA-N 1 0 324.515 4.195 20 70 DIIDRO Cc1ncc([C@@H](C)[NH2+][C@H](C)c2ccc3c(c2)CCCC3)c(C)n1 ZINC000160294396 527306899 /nfs/dbraw/zinc/30/68/99/527306899.db2.gz ALWJFAYBIUKNCQ-ZIAGYGMSSA-N 1 0 309.457 4.384 20 70 DIIDRO CSC[C@H](CCO)[NH2+][C@H](C)c1ccc(-c2cccs2)cc1 ZINC000160183711 332771785 /nfs/dbraw/zinc/77/17/85/332771785.db2.gz DFSGEYXPULCCBU-CJNGLKHVSA-N 1 0 321.511 4.180 20 70 DIIDRO CCCNC(=O)c1cccc(C[NH2+][C@H](C)c2ccc(CC)cc2)c1 ZINC000160568735 332825443 /nfs/dbraw/zinc/82/54/43/332825443.db2.gz LQQMGVFVYONNGV-MRXNPFEDSA-N 1 0 324.468 4.240 20 70 DIIDRO CCCNC(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(CC)cc2)c1 ZINC000160568584 332825462 /nfs/dbraw/zinc/82/54/62/332825462.db2.gz LQQMGVFVYONNGV-INIZCTEOSA-N 1 0 324.468 4.240 20 70 DIIDRO C[C@@H]([NH2+]CCCOc1ccc2ccccc2c1)c1ccccn1 ZINC000159384182 332082193 /nfs/dbraw/zinc/08/21/93/332082193.db2.gz CLFBWQLPANERLD-MRXNPFEDSA-N 1 0 306.409 4.355 20 70 DIIDRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)C2CCCCC2)cc1 ZINC000159651184 332683504 /nfs/dbraw/zinc/68/35/04/332683504.db2.gz QZWPMRUPEBNQAB-HUUCEWRRSA-N 1 0 323.502 4.100 20 70 DIIDRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]CCC(C)(C)C ZINC000159726749 332695117 /nfs/dbraw/zinc/69/51/17/332695117.db2.gz PNPXBIOLFLPEPZ-SNVBAGLBSA-N 1 0 305.388 4.149 20 70 DIIDRO CCCC(=O)Nc1cccc(C[NH2+][C@H](C)c2cccs2)c1 ZINC000159893243 332724216 /nfs/dbraw/zinc/72/42/16/332724216.db2.gz VHMDBOZCZCDIQR-CYBMUJFWSA-N 1 0 302.443 4.338 20 70 DIIDRO CCCOc1ccc([C@H](C)[NH2+][C@@H](C)c2ccco2)cc1OC ZINC000160005624 332745068 /nfs/dbraw/zinc/74/50/68/332745068.db2.gz IGWMNYHICGKAIL-KBPBESRZSA-N 1 0 303.402 4.489 20 70 DIIDRO CCOc1ccc(Cl)cc1CC[NH2+][C@@H](C)c1cccnc1 ZINC000160006486 332745099 /nfs/dbraw/zinc/74/50/99/332745099.db2.gz NJVHFRKUHXWKHJ-ZDUSSCGKSA-N 1 0 304.821 4.027 20 70 DIIDRO CC(C)Oc1ccc(C[NH2+][C@@H]2CCc3cc(Cl)ccc32)cn1 ZINC000160096387 332761292 /nfs/dbraw/zinc/76/12/92/332761292.db2.gz ZJACBUKZMKCEEY-QGZVFWFLSA-N 1 0 316.832 4.299 20 70 DIIDRO CC(C)c1noc(CCC[NH2+][C@@H](C)c2cc3c(s2)CCC3)n1 ZINC000160798841 333663134 /nfs/dbraw/zinc/66/31/34/333663134.db2.gz LWNJQFPTTZXUOD-LBPRGKRZSA-N 1 0 319.474 4.027 20 70 DIIDRO CC[C@@H]([NH2+]CC1(c2ccc(Cl)cc2)CCOCC1)C1CC1 ZINC000160903526 333685756 /nfs/dbraw/zinc/68/57/56/333685756.db2.gz AJNYMRRWQOFRAD-QGZVFWFLSA-N 1 0 307.865 4.166 20 70 DIIDRO C[C@H]([NH2+]C[C@H](c1ccco1)N1CCCC1)c1ccccc1Cl ZINC000216632072 336277976 /nfs/dbraw/zinc/27/79/76/336277976.db2.gz IHTKZQDTYLINED-WMLDXEAASA-N 1 0 318.848 4.421 20 70 DIIDRO CC[C@@H]([NH2+]CC(=O)N(C(C)C)C(C)C)c1ccc(Cl)cc1 ZINC000218208532 337082700 /nfs/dbraw/zinc/08/27/00/337082700.db2.gz UTBYYLSYVICGKG-MRXNPFEDSA-N 1 0 310.869 4.026 20 70 DIIDRO C[C@H]([NH2+]CC(=O)N1[C@@H](C)CCC[C@@H]1C)c1cccc2ccccc21 ZINC000216663295 337223875 /nfs/dbraw/zinc/22/38/75/337223875.db2.gz LYTJZXSOYGLTFT-ULQDDVLXSA-N 1 0 324.468 4.280 20 70 DIIDRO C[C@@H]([NH2+]C[C@@H](CO)c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000161433227 337584670 /nfs/dbraw/zinc/58/46/70/337584670.db2.gz BUGCGQBMRQJUHB-CJNGLKHVSA-N 1 0 323.358 4.132 20 70 DIIDRO C[C@H]([NH2+]C1CCN(C)CC1)c1ccc(-c2ccccc2F)s1 ZINC000161432551 337584675 /nfs/dbraw/zinc/58/46/75/337584675.db2.gz PZFOSORZBIHHFI-ZDUSSCGKSA-N 1 0 318.461 4.299 20 70 DIIDRO COc1cccc2cc([C@H](C)[NH2+][C@H]3CCOC(C)(C)C3)oc21 ZINC000159953706 338536608 /nfs/dbraw/zinc/53/66/08/338536608.db2.gz UFDLPYGRNDBWDZ-JSGCOSHPSA-N 1 0 303.402 4.050 20 70 DIIDRO CC1(C)C[C@H]([NH2+]Cc2cc(-c3ccccc3)cs2)CCO1 ZINC000160434045 338550596 /nfs/dbraw/zinc/55/05/96/338550596.db2.gz LVQMLTQNDXJOPO-MRXNPFEDSA-N 1 0 301.455 4.462 20 70 DIIDRO CC(C)C[C@@H]([NH2+]Cc1ccc(OC(C)C)nc1)c1ccccn1 ZINC000160039290 519250232 /nfs/dbraw/zinc/25/02/32/519250232.db2.gz IKBMUGODJGZNBI-GOSISDBHSA-N 1 0 313.445 4.141 20 70 DIIDRO CC(=O)NC1CCC([NH2+][C@@H](c2cccc(C)c2)C(C)(C)C)CC1 ZINC000161345221 519646042 /nfs/dbraw/zinc/64/60/42/519646042.db2.gz AAVRDYCRFQYKPV-ACBHZAAOSA-N 1 0 316.489 4.119 20 70 DIIDRO CC(C)Oc1ccc(C[NH2+][C@@H]2CCCc3sccc32)cn1 ZINC000160084004 519779859 /nfs/dbraw/zinc/77/98/59/519779859.db2.gz WRZGZFCJLYYXPG-OAHLLOKOSA-N 1 0 302.443 4.098 20 70 DIIDRO CC(C)n1cc([C@H](C)[NH2+][C@@H]2CCSc3ccc(F)cc32)cn1 ZINC000159451383 519981535 /nfs/dbraw/zinc/98/15/35/519981535.db2.gz JIHGEECVIRGEMA-BLLLJJGKSA-N 1 0 319.449 4.491 20 70 DIIDRO CCOc1ccc([C@H](C)[NH2+][C@H](CCCO)c2ccccc2)cc1 ZINC000160894619 521259647 /nfs/dbraw/zinc/25/96/47/521259647.db2.gz JZNCJXBXVJDXIA-OXJNMPFZSA-N 1 0 313.441 4.250 20 70 DIIDRO CCc1nc(C)c([C@@H](C)[NH2+]Cc2ccc(OC(C)C)nc2)s1 ZINC000160038166 522223434 /nfs/dbraw/zinc/22/34/34/522223434.db2.gz DPZVRDMTLSFNCG-GFCCVEGCSA-N 1 0 319.474 4.047 20 70 DIIDRO CC[C@@H]([NH2+]C1CCN([C@H](C)c2ccncc2)CC1)c1ccccc1 ZINC000159884146 522813635 /nfs/dbraw/zinc/81/36/35/522813635.db2.gz DVEYJTXQUVHFOM-DYESRHJHSA-N 1 0 323.484 4.348 20 70 DIIDRO CC[C@@H]([NH2+]Cc1cccc(NC(C)=O)c1)c1ccc(F)cc1F ZINC000160756537 522881669 /nfs/dbraw/zinc/88/16/69/522881669.db2.gz PETVKILTFPKJNZ-GOSISDBHSA-N 1 0 318.367 4.164 20 70 DIIDRO C[C@H]1C[C@H]([NH2+]C[C@H](CO)c2ccccc2)c2ccsc2S1 ZINC000161468585 524923006 /nfs/dbraw/zinc/92/30/06/524923006.db2.gz HZYSQMGDAVTTJX-BJJXKVORSA-N 1 0 319.495 4.039 20 70 DIIDRO Cc1ccccc1[C@H](C)[NH2+][C@H](CN1CCCC1=O)c1ccccc1 ZINC000160742576 525416756 /nfs/dbraw/zinc/41/67/56/525416756.db2.gz CBZNYQDDMCQUQD-FXAWDEMLSA-N 1 0 322.452 4.009 20 70 DIIDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCC(C)CC3)nc2)o1 ZINC000160509927 525732825 /nfs/dbraw/zinc/73/28/25/525732825.db2.gz SOUPSUBQTAGZDH-MRXNPFEDSA-N 1 0 313.445 4.070 20 70 DIIDRO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+][C@H]1CCCSC1 ZINC000159600675 526611677 /nfs/dbraw/zinc/61/16/77/526611677.db2.gz TWEHDXRMZUMEHQ-FZMZJTMJSA-N 1 0 319.499 4.060 20 70 DIIDRO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+][C@@H]1CCCSC1 ZINC000159600254 526612237 /nfs/dbraw/zinc/61/22/37/526612237.db2.gz TWEHDXRMZUMEHQ-BXUZGUMPSA-N 1 0 319.499 4.060 20 70 DIIDRO Cc1nc(C(C)C)sc1[C@H](C)[NH2+]C[C@@H](CO)c1ccccc1 ZINC000161442144 526679625 /nfs/dbraw/zinc/67/96/25/526679625.db2.gz OZMAHZZFCOLDLH-BBRMVZONSA-N 1 0 318.486 4.002 20 70 DIIDRO Cc1nc(C(C)C)sc1[C@H](C)[NH2+]C[C@H](CO)c1ccccc1 ZINC000161442436 526679641 /nfs/dbraw/zinc/67/96/41/526679641.db2.gz OZMAHZZFCOLDLH-XJKSGUPXSA-N 1 0 318.486 4.002 20 70 DIIDRO Cc1nc(C(C)C)sc1[C@H](C)[NH2+]C[C@@](C)(O)c1ccsc1 ZINC000159924192 526680092 /nfs/dbraw/zinc/68/00/92/526680092.db2.gz QTRIYIDBQGCSSY-MEDUHNTESA-N 1 0 324.515 4.195 20 70 DIIDRO Clc1nc2ccccn2c1C[NH2+][C@@H]1CCCc2sccc21 ZINC000160971070 527007787 /nfs/dbraw/zinc/00/77/87/527007787.db2.gz IVBFIVQYFCAIAL-GFCCVEGCSA-N 1 0 317.845 4.216 20 70 DIIDRO Cc1ncc([C@H](C)[NH2+][C@H]2CCSc3ccc(F)cc32)c(C)n1 ZINC000159432347 527309560 /nfs/dbraw/zinc/30/95/60/527309560.db2.gz LRRZQBRLMYWCSL-ZBEGNZNMSA-N 1 0 317.433 4.120 20 70 DIIDRO Cc1ccc(NC(=O)C2CCC(C)(C)CC2)c(C[NH+](C)C)c1 ZINC000160397506 332789393 /nfs/dbraw/zinc/78/93/93/332789393.db2.gz BZBBHCGTEVXBQY-UHFFFAOYSA-N 1 0 302.462 4.212 20 70 DIIDRO C[C@H]([NH2+]CCc1csc(-c2ccccc2)n1)c1cccnc1 ZINC000160387967 332790055 /nfs/dbraw/zinc/79/00/55/332790055.db2.gz HYNQAUOUKKANTC-AWEZNQCLSA-N 1 0 309.438 4.098 20 70 DIIDRO CC[C@@H](C[NH2+][C@H](C)c1cncc(F)c1)Oc1ccccc1Cl ZINC000160450061 332796544 /nfs/dbraw/zinc/79/65/44/332796544.db2.gz DSHRGGGZKHIXLA-DOMZBBRYSA-N 1 0 322.811 4.382 20 70 DIIDRO CC1(C)C[C@@H]([NH2+]Cc2ccc(-c3c(F)cccc3F)o2)CCO1 ZINC000160499742 332810872 /nfs/dbraw/zinc/81/08/72/332810872.db2.gz RRZORLINBGHBNB-LBPRGKRZSA-N 1 0 321.367 4.272 20 70 DIIDRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CCc2cc(C)cc(C)c2)c1 ZINC000159449646 332130243 /nfs/dbraw/zinc/13/02/43/332130243.db2.gz ICQIXUMHRNSZOU-MRXNPFEDSA-N 1 0 310.441 4.155 20 70 DIIDRO CCC[C@@H]([NH2+]CC1(C)COC1)c1ccc(Cl)cc1Cl ZINC000159505283 332440510 /nfs/dbraw/zinc/44/05/10/332440510.db2.gz JVNLPXPEDSMUQK-CQSZACIVSA-N 1 0 302.245 4.461 20 70 DIIDRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)C2CCCCC2)cc1 ZINC000159651024 332683480 /nfs/dbraw/zinc/68/34/80/332683480.db2.gz QZWPMRUPEBNQAB-GJZGRUSLSA-N 1 0 323.502 4.100 20 70 DIIDRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]CCC(C)(C)O ZINC000159834535 332713881 /nfs/dbraw/zinc/71/38/81/332713881.db2.gz CTSSWLCJEKFDQY-NSHDSACASA-N 1 0 322.449 4.069 20 70 DIIDRO CC(C)Oc1ccc(C[NH2+][C@@H](C)c2cc3c(s2)CCC3)cn1 ZINC000160074125 332757259 /nfs/dbraw/zinc/75/72/59/332757259.db2.gz RHKDISRNCJSQKX-ZDUSSCGKSA-N 1 0 316.470 4.270 20 70 DIIDRO CC(C)Oc1ccc(C[NH2+][C@H](C)c2cc3ccccc3o2)cn1 ZINC000160103128 332761454 /nfs/dbraw/zinc/76/14/54/332761454.db2.gz YSEMUONOXVYPGM-CQSZACIVSA-N 1 0 310.397 4.466 20 70 DIIDRO CCCO[C@@H]1CCC[N@H+](CCSc2ccccc2F)CC1 ZINC000217005638 333352081 /nfs/dbraw/zinc/35/20/81/333352081.db2.gz KCJVKGUHFKRFSA-OAHLLOKOSA-N 1 0 311.466 4.199 20 70 DIIDRO COc1cc(C)c(C[NH2+][C@@H]2CCCc3sccc32)cc1OC ZINC000160967468 333719070 /nfs/dbraw/zinc/71/90/70/333719070.db2.gz LMEKPLKOJJZYIA-OAHLLOKOSA-N 1 0 317.454 4.241 20 70 DIIDRO Cc1ccc([C@@H](C)[NH2+][C@@H](c2ccc3c(c2)OCCO3)C(C)C)o1 ZINC000161040697 333786532 /nfs/dbraw/zinc/78/65/32/333786532.db2.gz AZUZEKPPYQZGAK-AUUYWEPGSA-N 1 0 315.413 4.407 20 70 DIIDRO CC[C@H]([NH2+][C@H](C)C(=O)N1CCCCCC1)c1ccc(Cl)cc1 ZINC000218038293 337082440 /nfs/dbraw/zinc/08/24/40/337082440.db2.gz VSAYXYKJQZNJGK-PBHICJAKSA-N 1 0 322.880 4.172 20 70 DIIDRO CC[C@H]([NH2+][C@@H](C)C(=O)N1CCC(C)CC1)c1ccc(Cl)cc1 ZINC000218034276 337082483 /nfs/dbraw/zinc/08/24/83/337082483.db2.gz KJJNSWQNLGEGOH-YOEHRIQHSA-N 1 0 322.880 4.028 20 70 DIIDRO COc1ccc([C@H](C)[NH2+]CCSc2ccc(F)cc2)cc1F ZINC000216769647 337226621 /nfs/dbraw/zinc/22/66/21/337226621.db2.gz UNRBFTXLINVQIV-LBPRGKRZSA-N 1 0 323.408 4.416 20 70 DIIDRO CCN(C(=O)[C@H](C)[NH2+][C@@H](c1ccccc1)C1CC1)c1ccccc1 ZINC000218047040 337324563 /nfs/dbraw/zinc/32/45/63/337324563.db2.gz MIICVXMTBPRMKV-JXFKEZNVSA-N 1 0 322.452 4.169 20 70 DIIDRO CCN(C(=O)[C@H](C)[NH2+][C@H](c1ccccc1)C1CC1)c1ccccc1 ZINC000218047186 337324627 /nfs/dbraw/zinc/32/46/27/337324627.db2.gz MIICVXMTBPRMKV-OXJNMPFZSA-N 1 0 322.452 4.169 20 70 DIIDRO C[C@@H]([NH2+]C1CCN(C)CC1)c1ccc(-c2ccccc2F)s1 ZINC000161432691 337584693 /nfs/dbraw/zinc/58/46/93/337584693.db2.gz PZFOSORZBIHHFI-CYBMUJFWSA-N 1 0 318.461 4.299 20 70 DIIDRO C[C@@H]([NH2+]C[C@@H](CO)c1ccccc1)c1ccccc1C(F)(F)F ZINC000161499239 337589811 /nfs/dbraw/zinc/58/98/11/337589811.db2.gz MUYYWFGGUHZWPN-HIFRSBDPSA-N 1 0 323.358 4.132 20 70 DIIDRO COc1cccc2cc([C@H](C)[NH2+][C@@H]3CCOC(C)(C)C3)oc21 ZINC000159953420 338536689 /nfs/dbraw/zinc/53/66/89/338536689.db2.gz UFDLPYGRNDBWDZ-GXTWGEPZSA-N 1 0 303.402 4.050 20 70 DIIDRO C[C@H]([NH2+]C[C@H](O)Cc1ccccc1)c1cccc2ccccc21 ZINC000218711555 340497903 /nfs/dbraw/zinc/49/79/03/340497903.db2.gz RQPSZYPWTRLSLC-QFBILLFUSA-N 1 0 305.421 4.094 20 70 DIIDRO CC(C)[C@@H]([NH2+][C@@H](C)c1ccco1)c1ccc2c(c1)OCCO2 ZINC000161035918 519799554 /nfs/dbraw/zinc/79/95/54/519799554.db2.gz UYHKYLPRWTXGTI-SCLBCKFNSA-N 1 0 301.386 4.099 20 70 DIIDRO CCCNC(=O)c1cccc(C[NH2+][C@H](C)c2ccc(C)s2)c1 ZINC000160560959 519903393 /nfs/dbraw/zinc/90/33/93/519903393.db2.gz LBHSANBPSNYUCL-CQSZACIVSA-N 1 0 316.470 4.047 20 70 DIIDRO CCC[C@H]([NH2+][C@H](CCO)c1ccccc1)c1ccc(OC)cc1 ZINC000160959428 521177430 /nfs/dbraw/zinc/17/74/30/521177430.db2.gz PPWDZUHQNRUKHM-VQTJNVASSA-N 1 0 313.441 4.250 20 70 DIIDRO CCS[C@H]1CCC[C@@H]([NH2+][C@@H](C)c2cccc(NC(C)=O)c2)C1 ZINC000159364671 521731352 /nfs/dbraw/zinc/73/13/52/521731352.db2.gz BSLMTAWJZGCTRV-VHSSKADRSA-N 1 0 320.502 4.360 20 70 DIIDRO CC[C@@H]([NH2+][C@@H](CN1CCCC1=O)c1ccccc1)c1ccccc1 ZINC000160680917 522918598 /nfs/dbraw/zinc/91/85/98/522918598.db2.gz PRACTZAJUGJVAS-UXHICEINSA-N 1 0 322.452 4.091 20 70 DIIDRO COc1ccc([C@@H](C)[NH2+]CCCCc2nc(C)cs2)cc1 ZINC000160700155 525149564 /nfs/dbraw/zinc/14/95/64/525149564.db2.gz ZPDCUHJBHGGKEC-CQSZACIVSA-N 1 0 304.459 4.134 20 70 DIIDRO C[C@@H](NC1CC[NH+](C2CCCC2)CC1)c1cc(F)cc(F)c1 ZINC000160486719 525401927 /nfs/dbraw/zinc/40/19/27/525401927.db2.gz LVWYFXSQRPWALI-CYBMUJFWSA-N 1 0 308.416 4.022 20 70 DIIDRO Cc1ccccc1[C@H](C)[NH2+]C1CCN([C@@H](C)c2ccncc2)CC1 ZINC000159886849 525414982 /nfs/dbraw/zinc/41/49/82/525414982.db2.gz OSEIKTXQZPFOKH-ROUUACIJSA-N 1 0 323.484 4.266 20 70 DIIDRO Cc1ccc(-c2ncc(C[NH2+][C@H]3CCOC(C)(C)C3)s2)cc1 ZINC000160499491 525828906 /nfs/dbraw/zinc/82/89/06/525828906.db2.gz ZKIFMSIQGCFYQK-HNNXBMFYSA-N 1 0 316.470 4.166 20 70 DIIDRO Cc1csc(CCCC[NH2+][C@H]2CCCc3nc(C)sc32)n1 ZINC000160693388 526339983 /nfs/dbraw/zinc/33/99/83/526339983.db2.gz AAZWWBDYFLTTJN-ZDUSSCGKSA-N 1 0 321.515 4.206 20 70 DIIDRO Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]C[C@@H](CO)c1ccccc1 ZINC000161442001 526677020 /nfs/dbraw/zinc/67/70/20/526677020.db2.gz OZMAHZZFCOLDLH-CJNGLKHVSA-N 1 0 318.486 4.002 20 70 DIIDRO Cc1ncc([C@H](C)[NH2+]CC2(Sc3ccccc3)CC2)c(C)n1 ZINC000160483648 527309190 /nfs/dbraw/zinc/30/91/90/527309190.db2.gz PWOYETSUIYSYDD-ZDUSSCGKSA-N 1 0 313.470 4.069 20 70 DIIDRO Cc1cc([C@@H](C)[NH2+]Cc2cn3c(cccc3C)n2)cc(C)c1F ZINC000160344549 332784840 /nfs/dbraw/zinc/78/48/40/332784840.db2.gz YBQHGKSXKNAUFN-OAHLLOKOSA-N 1 0 311.404 4.249 20 70 DIIDRO Cc1c(F)cccc1-c1ccc(C[NH2+][C@@H]2CCOC(C)(C)C2)o1 ZINC000160544790 332817189 /nfs/dbraw/zinc/81/71/89/332817189.db2.gz XXSOILCXJDLIHP-CQSZACIVSA-N 1 0 317.404 4.441 20 70 DIIDRO CCCNC(=O)c1cccc(C[NH2+][C@H](C)c2ccc(C)cc2C)c1 ZINC000160618386 332838941 /nfs/dbraw/zinc/83/89/41/332838941.db2.gz GNQCAKRSRDYBFC-QGZVFWFLSA-N 1 0 324.468 4.294 20 70 DIIDRO CCC[C@@H]([NH2+]CC1(CCOCC)CCCC1)c1ccccn1 ZINC000159376595 332081483 /nfs/dbraw/zinc/08/14/83/332081483.db2.gz FWRQZWGDPJGGSI-QGZVFWFLSA-N 1 0 304.478 4.499 20 70 DIIDRO CCOc1cccc(C[NH2+][C@@H](C)c2sc(CC)nc2C)c1 ZINC000159382532 332082110 /nfs/dbraw/zinc/08/21/10/332082110.db2.gz HIVSOGXZQMFTTO-LBPRGKRZSA-N 1 0 304.459 4.263 20 70 DIIDRO COc1ccc(OC(F)F)c(C[NH2+][C@@H](C)c2ccccc2C)c1 ZINC000159791527 332704811 /nfs/dbraw/zinc/70/48/11/332704811.db2.gz ODYIUASNBVXZBA-ZDUSSCGKSA-N 1 0 321.367 4.456 20 70 DIIDRO CC(C)Oc1ccc(C[NH2+][C@@H]2c3cc(F)ccc3C[C@@H]2C)cn1 ZINC000160110530 332762035 /nfs/dbraw/zinc/76/20/35/332762035.db2.gz KQAUUQIIONPOAL-DJJJIMSYSA-N 1 0 314.404 4.031 20 70 DIIDRO CC[C@@H]([NH2+]CCCc1nc(C(C)C)no1)c1ccc(C)cc1 ZINC000160766323 333368307 /nfs/dbraw/zinc/36/83/07/333368307.db2.gz UMSXSZVBEQCXBA-MRXNPFEDSA-N 1 0 301.434 4.175 20 70 DIIDRO CC(C)C[C@@H]([NH2+]CC(=O)Nc1ccccc1)c1cccs1 ZINC000160793302 333662859 /nfs/dbraw/zinc/66/28/59/333662859.db2.gz DJVKCOPYRVNOLL-OAHLLOKOSA-N 1 0 302.443 4.064 20 70 DIIDRO CCCCOc1cccc(C[NH2+][C@H](C)c2cncc(F)c2)c1 ZINC000160829738 333670245 /nfs/dbraw/zinc/67/02/45/333670245.db2.gz HCZATDQKMHGDJJ-CQSZACIVSA-N 1 0 302.393 4.250 20 70 DIIDRO CC(C)Sc1ccccc1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC000160927013 333690296 /nfs/dbraw/zinc/69/02/96/333690296.db2.gz OHERJWZRLRJTEK-UHFFFAOYSA-N 1 0 320.502 4.246 20 70 DIIDRO CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@H](C)c2ccc(C)cc2)c1 ZINC000161139926 333818963 /nfs/dbraw/zinc/81/89/63/333818963.db2.gz WCMRZNKNQZZBLL-DLBZAZTESA-N 1 0 324.468 4.374 20 70 DIIDRO Brc1ccc(C[NH2+]Cc2cccc3cc[nH]c32)cc1 ZINC000218154980 334073211 /nfs/dbraw/zinc/07/32/11/334073211.db2.gz RRHYXXWRJVDAOG-UHFFFAOYSA-N 1 0 315.214 4.220 20 70 DIIDRO CO[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000218196781 334143783 /nfs/dbraw/zinc/14/37/83/334143783.db2.gz COZSZYCTZNZOJR-TUKIKUTGSA-N 1 0 301.352 4.314 20 70 DIIDRO CC[C@@H]([NH2+][C@H](C)C(=O)N1CCC(C)CC1)c1ccc(Cl)cc1 ZINC000218034364 337082436 /nfs/dbraw/zinc/08/24/36/337082436.db2.gz KJJNSWQNLGEGOH-RHSMWYFYSA-N 1 0 322.880 4.028 20 70 DIIDRO CC(C)N(C(=O)C[NH2+][C@@H](c1ccccc1)C1CC1)c1ccccc1 ZINC000217553601 337317873 /nfs/dbraw/zinc/31/78/73/337317873.db2.gz AYOHSJLOVMQAKE-NRFANRHFSA-N 1 0 322.452 4.169 20 70 DIIDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)c(Cl)c1OC ZINC000216867130 340485939 /nfs/dbraw/zinc/48/59/39/340485939.db2.gz HCHSIOYYNPKYKJ-SGMGOOAPSA-N 1 0 311.853 4.272 20 70 DIIDRO CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H]1CCCSC1 ZINC000159553027 519845005 /nfs/dbraw/zinc/84/50/05/519845005.db2.gz CSKBZSYSUCYOTM-CABCVRRESA-N 1 0 320.502 4.012 20 70 DIIDRO CCCNC(=O)c1cccc(C[NH2+][C@H](C)c2sccc2C)c1 ZINC000160595132 519903490 /nfs/dbraw/zinc/90/34/90/519903490.db2.gz RLVPCSOXOIWZSU-CQSZACIVSA-N 1 0 316.470 4.047 20 70 DIIDRO COc1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CCOC(C)(C)C1 ZINC000160513899 521840718 /nfs/dbraw/zinc/84/07/18/521840718.db2.gz RCCPTRCOIWTPMH-LBPRGKRZSA-N 1 0 318.244 4.049 20 70 DIIDRO CCc1ccccc1NC(=O)CSCC[NH+](C(C)C)C(C)C ZINC000161090014 521874949 /nfs/dbraw/zinc/87/49/49/521874949.db2.gz XPLKXCQSLRMNNM-UHFFFAOYSA-N 1 0 322.518 4.040 20 70 DIIDRO CC[C@H]([NH2+]C1CCN([C@@H](C)c2ccncc2)CC1)c1ccccc1 ZINC000159883739 522562598 /nfs/dbraw/zinc/56/25/98/522562598.db2.gz DVEYJTXQUVHFOM-UWJYYQICSA-N 1 0 323.484 4.348 20 70 DIIDRO Cc1cccc([C@H](C)[NH2+]C2CCN([C@H](C)c3ccncc3)CC2)c1 ZINC000159885417 524873088 /nfs/dbraw/zinc/87/30/88/524873088.db2.gz KTDVPJSIBKLMJQ-ZWKOTPCHSA-N 1 0 323.484 4.266 20 70 DIIDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(C)nc2)c2ccccc12 ZINC000161277928 525155621 /nfs/dbraw/zinc/15/56/21/525155621.db2.gz ODTYKHUYODLKPL-OAHLLOKOSA-N 1 0 306.409 4.403 20 70 DIIDRO Cc1ccccc1C[C@@H](C)[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000160764989 525192844 /nfs/dbraw/zinc/19/28/44/525192844.db2.gz YYYNNODXYSUIHS-ZMPRRUGASA-N 1 0 315.482 4.014 20 70 DIIDRO Cc1ccccc1[C@@H](C)[NH2+][C@@H](CN1CCCC1=O)c1ccccc1 ZINC000160742176 525362622 /nfs/dbraw/zinc/36/26/22/525362622.db2.gz CBZNYQDDMCQUQD-XLIONFOSSA-N 1 0 322.452 4.009 20 70 DIIDRO C[C@H]([NH2+][C@@H](C)c1ccccn1)c1ccc(OCC2CC2)c(F)c1 ZINC000159374225 525537369 /nfs/dbraw/zinc/53/73/69/525537369.db2.gz SKNWSSZYMXLLCA-KBPBESRZSA-N 1 0 314.404 4.421 20 70 DIIDRO C[C@@H]([NH2+][C@@H](C)c1ccccn1)c1ccc(OCC2CC2)c(F)c1 ZINC000159374348 525613979 /nfs/dbraw/zinc/61/39/79/525613979.db2.gz SKNWSSZYMXLLCA-KGLIPLIRSA-N 1 0 314.404 4.421 20 70 DIIDRO C[C@@H]([NH2+][C@@H](CCCO)c1ccccc1)c1ccc2c(c1)CCC2 ZINC000160740182 525623640 /nfs/dbraw/zinc/62/36/40/525623640.db2.gz AKZWBAOXAMFEGP-IERDGZPVSA-N 1 0 309.453 4.340 20 70 DIIDRO C[C@@H]([NH2+][C@H](CCCO)c1ccccc1)c1ccc2c(c1)CCC2 ZINC000160740458 525667615 /nfs/dbraw/zinc/66/76/15/525667615.db2.gz AKZWBAOXAMFEGP-IIBYNOLFSA-N 1 0 309.453 4.340 20 70 DIIDRO Clc1nc2ccccn2c1C[NH2+][C@H]1CCCc2sccc21 ZINC000160971198 527007302 /nfs/dbraw/zinc/00/73/02/527007302.db2.gz IVBFIVQYFCAIAL-LBPRGKRZSA-N 1 0 317.845 4.216 20 70 DIIDRO C[C@H]([NH2+]CC1(Sc2ccccc2)CCCC1)[C@@H]1CCOC1 ZINC000160350977 332785370 /nfs/dbraw/zinc/78/53/70/332785370.db2.gz LARFTHACSUTMIA-JKSUJKDBSA-N 1 0 305.487 4.106 20 70 DIIDRO CC1(C)C[C@@H]([NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)CCO1 ZINC000160517055 332814460 /nfs/dbraw/zinc/81/44/60/332814460.db2.gz RGXQSRJXBWQTPK-NSHDSACASA-N 1 0 321.770 4.406 20 70 DIIDRO CCSc1ccc([C@@H](C)[NH2+]CCc2c(C)noc2C)cc1 ZINC000159440234 332123862 /nfs/dbraw/zinc/12/38/62/332123862.db2.gz MDELSZZVHBACMN-GFCCVEGCSA-N 1 0 304.459 4.297 20 70 DIIDRO C[C@@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)C[C@H]1CCC[NH2+]1 ZINC000161038676 332467660 /nfs/dbraw/zinc/46/76/60/332467660.db2.gz QXXRZLVJFWSYBT-OXJNMPFZSA-N 1 0 322.452 4.015 20 70 DIIDRO Cc1ccc(OC(F)F)c([C@@H](C)[NH2+][C@H]2CCCSC2)c1 ZINC000159551470 332657256 /nfs/dbraw/zinc/65/72/56/332657256.db2.gz OHNSSWUEZNVAQW-NEPJUHHUSA-N 1 0 301.402 4.143 20 70 DIIDRO C[C@@H](NC1CC(C)(C)[NH2+]C(C)(C)C1)c1cc(F)c(F)c(F)c1 ZINC000159610078 332678265 /nfs/dbraw/zinc/67/82/65/332678265.db2.gz SXKVPIBBZYRNPY-SNVBAGLBSA-N 1 0 314.395 4.064 20 70 DIIDRO COc1ccc(OC(F)F)c(C[NH2+][C@H](C)c2ccccc2C)c1 ZINC000159791410 332704802 /nfs/dbraw/zinc/70/48/02/332704802.db2.gz ODYIUASNBVXZBA-CYBMUJFWSA-N 1 0 321.367 4.456 20 70 DIIDRO COc1ccc(OC)c([C@H](C)[NH2+][C@H]2CCc3c2cccc3C)c1 ZINC000159975005 332740694 /nfs/dbraw/zinc/74/06/94/332740694.db2.gz LABQHNKMLXGQQQ-LIRRHRJNSA-N 1 0 311.425 4.350 20 70 DIIDRO CCCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccco2)cc1OC ZINC000160005471 332745081 /nfs/dbraw/zinc/74/50/81/332745081.db2.gz IGWMNYHICGKAIL-KGLIPLIRSA-N 1 0 303.402 4.489 20 70 DIIDRO CCCOc1ccc([C@H](C)[NH2+][C@H](C)c2ccco2)cc1OC ZINC000160005895 332745096 /nfs/dbraw/zinc/74/50/96/332745096.db2.gz IGWMNYHICGKAIL-UONOGXRCSA-N 1 0 303.402 4.489 20 70 DIIDRO CC(C)C[C@H](C)Oc1cc(C[NH2+][C@@H](C)c2cncs2)ccn1 ZINC000160812607 333667271 /nfs/dbraw/zinc/66/72/71/333667271.db2.gz DTPVYPJYNVJYOW-KBPBESRZSA-N 1 0 319.474 4.202 20 70 DIIDRO C[C@@H]([NH2+]CC1(c2ccc(Cl)cc2)CCOCC1)c1ccco1 ZINC000160901142 333682534 /nfs/dbraw/zinc/68/25/34/333682534.db2.gz ZFUYOZWNJAHFRS-CQSZACIVSA-N 1 0 319.832 4.332 20 70 DIIDRO C[C@@H](CC1CC1)[NH2+]CC1(c2ccc(Cl)cc2)CCOCC1 ZINC000160899919 333685034 /nfs/dbraw/zinc/68/50/34/333685034.db2.gz GGCREYLFYVWJEX-AWEZNQCLSA-N 1 0 307.865 4.166 20 70 DIIDRO C[C@@H]1C[C@H]1[C@H](NC(=O)CCCCCC[NH3+])c1ccc(Cl)cc1 ZINC000161293535 334888044 /nfs/dbraw/zinc/88/80/44/334888044.db2.gz RZZLRYUEXLABOM-MZMPZRCHSA-N 1 0 322.880 4.063 20 70 DIIDRO CC[C@@H]([NH2+][C@@H](C)C(=O)N1CCCCCC1)c1ccc(Cl)cc1 ZINC000218038051 337082494 /nfs/dbraw/zinc/08/24/94/337082494.db2.gz VSAYXYKJQZNJGK-WMLDXEAASA-N 1 0 322.880 4.172 20 70 DIIDRO C[C@H]([NH2+]CC(=O)N1[C@H](C)CCC[C@@H]1C)c1cccc2ccccc21 ZINC000216663384 337223877 /nfs/dbraw/zinc/22/38/77/337223877.db2.gz LYTJZXSOYGLTFT-BBWFWOEESA-N 1 0 324.468 4.280 20 70 DIIDRO C[C@@H]([NH2+]C[C@H](Cc1ccccc1)c1ccccc1)c1cnn(C)c1 ZINC000161245214 337575975 /nfs/dbraw/zinc/57/59/75/337575975.db2.gz OUTPIVDLKLRHTG-XLIONFOSSA-N 1 0 319.452 4.097 20 70 DIIDRO Cc1ccc(C[NH2+][C@@H]2CCSc3c(Cl)cccc32)cn1 ZINC000161319206 337579419 /nfs/dbraw/zinc/57/94/19/337579419.db2.gz JGBYOURZQUDCAA-OAHLLOKOSA-N 1 0 304.846 4.370 20 70 DIIDRO C[C@@H]([NH2+]C[C@H](CO)c1ccccc1)c1ccccc1C(F)(F)F ZINC000161499487 337589862 /nfs/dbraw/zinc/58/98/62/337589862.db2.gz MUYYWFGGUHZWPN-UKRRQHHQSA-N 1 0 323.358 4.132 20 70 DIIDRO COc1ccc([C@@H](C)[NH2+]CCOc2ccccc2Cl)cc1F ZINC000216769074 337905154 /nfs/dbraw/zinc/90/51/54/337905154.db2.gz UQALSLLIGJEGNF-GFCCVEGCSA-N 1 0 323.795 4.217 20 70 DIIDRO C[C@H]([NH2+]C[C@H](O)Cc1ccccc1)c1ccc2ccccc2c1 ZINC000218707145 340497905 /nfs/dbraw/zinc/49/79/05/340497905.db2.gz VCUOHKUAEHESKU-HRAATJIYSA-N 1 0 305.421 4.094 20 70 DIIDRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CCCc2cccc(F)c2)c1 ZINC000159743595 519746624 /nfs/dbraw/zinc/74/66/24/519746624.db2.gz OPZWAKVOGMNHDS-CQSZACIVSA-N 1 0 314.404 4.068 20 70 DIIDRO CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CCCSC1 ZINC000159553189 519845586 /nfs/dbraw/zinc/84/55/86/519845586.db2.gz CSKBZSYSUCYOTM-GJZGRUSLSA-N 1 0 320.502 4.012 20 70 DIIDRO CCNC(=O)c1cccc(C[NH2+][C@H](C)c2ccc(Cl)s2)c1 ZINC000160169133 519898989 /nfs/dbraw/zinc/89/89/89/519898989.db2.gz CPAXSGKWFDJXHL-LLVKDONJSA-N 1 0 322.861 4.002 20 70 DIIDRO CCCCOc1cccc(C[NH2+][C@@H](C)c2cnn(C(C)C)c2)c1 ZINC000160833006 520903650 /nfs/dbraw/zinc/90/36/50/520903650.db2.gz HHZIUILIDRDQEU-INIZCTEOSA-N 1 0 315.461 4.494 20 70 DIIDRO CC1CCN(c2ccc(C[NH2+][C@@H]3CCc4ccccc43)cn2)CC1 ZINC000160476083 521041514 /nfs/dbraw/zinc/04/15/14/521041514.db2.gz MAIUBNDJBMUEFD-HXUWFJFHSA-N 1 0 321.468 4.095 20 70 DIIDRO CCc1nc(C)c([C@H](C)NC2CC[NH+](C3CCCC3)CC2)s1 ZINC000160460112 522231178 /nfs/dbraw/zinc/23/11/78/522231178.db2.gz KLMJWNLJAWVXKZ-ZDUSSCGKSA-N 1 0 321.534 4.072 20 70 DIIDRO Cc1ccc(C[NH2+][C@@H](C)[C@H](C)c2nc3ccccc3s2)cn1 ZINC000161294192 524591594 /nfs/dbraw/zinc/59/15/94/524591594.db2.gz QZFXXMKIJHHHIR-KBPBESRZSA-N 1 0 311.454 4.282 20 70 DIIDRO Cc1ccc(C[NH2+][C@H](C)[C@H](C)c2nc3ccccc3s2)cn1 ZINC000161294301 524601604 /nfs/dbraw/zinc/60/16/04/524601604.db2.gz QZFXXMKIJHHHIR-UONOGXRCSA-N 1 0 311.454 4.282 20 70 DIIDRO C[C@H]1C[C@@H]([NH2+]C[C@@H](CO)c2ccccc2)c2ccsc2S1 ZINC000161468437 524808539 /nfs/dbraw/zinc/80/85/39/524808539.db2.gz HZYSQMGDAVTTJX-DUVNUKRYSA-N 1 0 319.495 4.039 20 70 DIIDRO C[C@H]1C[C@H]([NH2+]C[C@@H](CO)c2ccccc2)c2ccsc2S1 ZINC000161468333 524923864 /nfs/dbraw/zinc/92/38/64/524923864.db2.gz HZYSQMGDAVTTJX-NOLJZWGESA-N 1 0 319.495 4.039 20 70 DIIDRO Cc1ccccc1C[C@@H](C)[NH2+][C@H](C)c1ccc([S@](C)=O)cc1 ZINC000160765245 525193301 /nfs/dbraw/zinc/19/33/01/525193301.db2.gz YYYNNODXYSUIHS-XCGNWRKASA-N 1 0 315.482 4.014 20 70 DIIDRO C[C@@H]([NH2+]Cc1ccc(N2CCC(C)CC2)nc1)c1cccs1 ZINC000160482564 525526995 /nfs/dbraw/zinc/52/69/95/525526995.db2.gz ITDCVQSGLFCJOH-OAHLLOKOSA-N 1 0 315.486 4.230 20 70 DIIDRO C[C@H]([NH2+][C@H](CCCO)c1ccccc1)c1cc(F)cc(F)c1 ZINC000160805634 525593637 /nfs/dbraw/zinc/59/36/37/525593637.db2.gz GVGXNJSAMUIOHB-SCLBCKFNSA-N 1 0 305.368 4.129 20 70 DIIDRO Cc1c(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2)cnn1C ZINC000160455870 525727271 /nfs/dbraw/zinc/72/72/71/525727271.db2.gz HUSHUDJQVVDYTM-NRFANRHFSA-N 1 0 319.452 4.192 20 70 DIIDRO Cc1ncc([C@@H](C)[NH2+][C@H]2CCSc3ccc(F)cc32)c(C)n1 ZINC000159432220 527308475 /nfs/dbraw/zinc/30/84/75/527308475.db2.gz LRRZQBRLMYWCSL-BZNIZROVSA-N 1 0 317.433 4.120 20 70 DIIDRO CC[C@@H](C[NH2+][C@@H](C)c1cnn(C(C)C)c1)Oc1ccccc1F ZINC000160333480 332785719 /nfs/dbraw/zinc/78/57/19/332785719.db2.gz CXZZFAAJDOHEJU-HOCLYGCPSA-N 1 0 319.424 4.111 20 70 DIIDRO C[C@@H]([NH2+]CC1(Sc2ccccc2)CC1)c1cncc(F)c1 ZINC000160498933 332810867 /nfs/dbraw/zinc/81/08/67/332810867.db2.gz SKGFELONRUFXBR-CYBMUJFWSA-N 1 0 302.418 4.196 20 70 DIIDRO CCS[C@@H]1CCC[C@H]([NH2+]C2CCN(c3ccccc3)CC2)C1 ZINC000159416194 332099881 /nfs/dbraw/zinc/09/98/81/332099881.db2.gz NICLPYSWORGWCU-PKOBYXMFSA-N 1 0 318.530 4.309 20 70 DIIDRO C[C@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)C[C@H]1CCC[NH2+]1 ZINC000161038806 332468013 /nfs/dbraw/zinc/46/80/13/332468013.db2.gz QXXRZLVJFWSYBT-OXQOHEQNSA-N 1 0 322.452 4.015 20 70 DIIDRO Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]CCC(C)(C)O ZINC000159678238 332688318 /nfs/dbraw/zinc/68/83/18/332688318.db2.gz ZLBJWOGTCKDEHK-MRXNPFEDSA-N 1 0 303.471 4.091 20 70 DIIDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1)c1ccccc1 ZINC000159869065 332717665 /nfs/dbraw/zinc/71/76/65/332717665.db2.gz LJCMTEMFZDSDGM-HNAYVOBHSA-N 1 0 306.413 4.069 20 70 DIIDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccc(OC(C)C)nc2)cc1 ZINC000160103418 332761573 /nfs/dbraw/zinc/76/15/73/332761573.db2.gz CJEAWRRJVZAOLR-HNNXBMFYSA-N 1 0 314.429 4.118 20 70 DIIDRO COc1ccc(COCCC[NH2+][C@@H](C)c2cccs2)cc1 ZINC000161070537 333792816 /nfs/dbraw/zinc/79/28/16/333792816.db2.gz YGHZJGKXCIKOKA-AWEZNQCLSA-N 1 0 305.443 4.014 20 70 DIIDRO C[C@@H]([NH2+]C[C@H](c1ccco1)N1CCCC1)c1ccccc1Cl ZINC000216632023 336277889 /nfs/dbraw/zinc/27/78/89/336277889.db2.gz IHTKZQDTYLINED-RHSMWYFYSA-N 1 0 318.848 4.421 20 70 DIIDRO C[C@@H]([NH2+]C[C@@H](c1ccco1)N1CCCC1)c1ccccc1Cl ZINC000216631930 336277985 /nfs/dbraw/zinc/27/79/85/336277985.db2.gz IHTKZQDTYLINED-PBHICJAKSA-N 1 0 318.848 4.421 20 70 DIIDRO C[C@H](N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc(Cl)ccc1Cl ZINC000217656773 337326588 /nfs/dbraw/zinc/32/65/88/337326588.db2.gz MLQQRIKXKUPAFX-XZJROXQQSA-N 1 0 313.272 4.271 20 70 DIIDRO C[C@H]([NH2+]C[C@@H](CO)c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000161433077 337584668 /nfs/dbraw/zinc/58/46/68/337584668.db2.gz BUGCGQBMRQJUHB-BBRMVZONSA-N 1 0 323.358 4.132 20 70 DIIDRO CCCCCOc1ccc([C@H](C)[NH2+]C2CCN(C)CC2)cc1 ZINC000161510222 337590385 /nfs/dbraw/zinc/59/03/85/337590385.db2.gz DGZUSYRZJPIXQW-INIZCTEOSA-N 1 0 304.478 4.000 20 70 DIIDRO CC1(C)C[C@@H]([NH2+]Cc2cc(-c3ccccc3)cs2)CCO1 ZINC000160434128 338550619 /nfs/dbraw/zinc/55/06/19/338550619.db2.gz LVQMLTQNDXJOPO-INIZCTEOSA-N 1 0 301.455 4.462 20 70 DIIDRO COc1ccc([C@@H](C)[NH2+]Cc2cc(F)cc(Cl)c2)cc1F ZINC000160866981 338568364 /nfs/dbraw/zinc/56/83/64/338568364.db2.gz UUZRBRYDMRLJCW-SNVBAGLBSA-N 1 0 311.759 4.478 20 70 DIIDRO Fc1cc(Cl)cc(C[NH2+]Cc2cccc3cccnc32)c1 ZINC000160968460 338573492 /nfs/dbraw/zinc/57/34/92/338573492.db2.gz ONQONMDXAVMYGX-UHFFFAOYSA-N 1 0 300.764 4.317 20 70 DIIDRO CC(C)n1cc([C@@H](C)[NH2+][C@@H]2CCSc3ccc(F)cc32)cn1 ZINC000159451251 519976643 /nfs/dbraw/zinc/97/66/43/519976643.db2.gz JIHGEECVIRGEMA-MLGOLLRUSA-N 1 0 319.449 4.491 20 70 DIIDRO CC(C)n1cc([C@H](C)[NH2+][C@H]2CCSc3ccc(F)cc32)cn1 ZINC000159451683 519980438 /nfs/dbraw/zinc/98/04/38/519980438.db2.gz JIHGEECVIRGEMA-LRDDRELGSA-N 1 0 319.449 4.491 20 70 DIIDRO CCOc1cccc(C[NH2+][C@H]2CCCc3nc(CC)sc32)c1 ZINC000159392197 521376244 /nfs/dbraw/zinc/37/62/44/521376244.db2.gz LXMHFMOQOSAHOI-HNNXBMFYSA-N 1 0 316.470 4.271 20 70 DIIDRO CCc1nc(C)c([C@@H](C)[NH2+]CCCCc2nc(C)cs2)s1 ZINC000160643659 522222389 /nfs/dbraw/zinc/22/23/89/522222389.db2.gz QTJQOGVMCODCMR-GFCCVEGCSA-N 1 0 323.531 4.452 20 70 DIIDRO CC[C@H]([NH2+]C1CCN([C@H](C)c2ccncc2)CC1)c1ccccc1 ZINC000159884009 522562191 /nfs/dbraw/zinc/56/21/91/522562191.db2.gz DVEYJTXQUVHFOM-UTKZUKDTSA-N 1 0 323.484 4.348 20 70 DIIDRO CC[C@H]([NH2+][C@@H](CCCO)c1ccccc1)c1ccc(OC)cc1 ZINC000160768996 522705156 /nfs/dbraw/zinc/70/51/56/522705156.db2.gz MSPKJQSBAOLLOI-PMACEKPBSA-N 1 0 313.441 4.250 20 70 DIIDRO CC[C@@H]([NH2+][C@@H](CCCO)c1ccccc1)c1ccc(OC)cc1 ZINC000160769136 522918869 /nfs/dbraw/zinc/91/88/69/522918869.db2.gz MSPKJQSBAOLLOI-UXHICEINSA-N 1 0 313.441 4.250 20 70 DIIDRO Cc1ccccc1[C@H](C)[NH2+]C1CCN([C@H](C)c2ccncc2)CC1 ZINC000159887112 525415301 /nfs/dbraw/zinc/41/53/01/525415301.db2.gz OSEIKTXQZPFOKH-ZWKOTPCHSA-N 1 0 323.484 4.266 20 70 DIIDRO C[C@H]([NH2+]Cc1ccc(N2CCC(C)CC2)nc1)c1cccs1 ZINC000160482415 525445458 /nfs/dbraw/zinc/44/54/58/525445458.db2.gz ITDCVQSGLFCJOH-HNNXBMFYSA-N 1 0 315.486 4.230 20 70 DIIDRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C)s1)CCCO2 ZINC000160905597 525575846 /nfs/dbraw/zinc/57/58/46/525575846.db2.gz OLDVUAFFRHFUKT-INIZCTEOSA-N 1 0 303.427 4.069 20 70 DIIDRO C[C@H]([NH2+][C@H]1CCCSC1)c1nc(-c2ccccc2)cs1 ZINC000159641875 525609935 /nfs/dbraw/zinc/60/99/35/525609935.db2.gz HLRMQMVLJBOGET-JSGCOSHPSA-N 1 0 304.484 4.356 20 70 DIIDRO C[C@H]([NH2+][C@H]1CCOC(C)(C)C1)c1ccccc1C(F)(F)F ZINC000159939350 525619467 /nfs/dbraw/zinc/61/94/67/525619467.db2.gz HRJWAWOVOCSNFJ-RYUDHWBXSA-N 1 0 301.352 4.314 20 70 DIIDRO C[C@H]([NH2+][C@H]1CCSc2ccc(Cl)cc21)C1CCOCC1 ZINC000159474270 525628909 /nfs/dbraw/zinc/62/89/09/525628909.db2.gz LJRPECGUYFPLSV-NHYWBVRUSA-N 1 0 311.878 4.282 20 70 DIIDRO C[C@@H]([NH2+][C@@H]1CCCSC1)c1nc(-c2ccccc2)cs1 ZINC000159641736 525637382 /nfs/dbraw/zinc/63/73/82/525637382.db2.gz HLRMQMVLJBOGET-TZMCWYRMSA-N 1 0 304.484 4.356 20 70 DIIDRO Cc1ccc([C@H](C)[NH2+][C@H](CN2CCCC2=O)c2ccccc2)cc1 ZINC000160775125 525943139 /nfs/dbraw/zinc/94/31/39/525943139.db2.gz XLSFDJYBDLBGIV-FXAWDEMLSA-N 1 0 322.452 4.009 20 70 DIIDRO Cc1ccc(C(=O)CC[NH2+]C2(c3nccs3)CCCC2)cc1 ZINC000160633636 526043750 /nfs/dbraw/zinc/04/37/50/526043750.db2.gz KDJLHTDVVQKONW-UHFFFAOYSA-N 1 0 314.454 4.083 20 70 DIIDRO Cc1ncc([C@@H](C)[NH2+][C@@H](C)c2ccc3c(c2)CCCC3)c(C)n1 ZINC000160294159 527306764 /nfs/dbraw/zinc/30/67/64/527306764.db2.gz ALWJFAYBIUKNCQ-UONOGXRCSA-N 1 0 309.457 4.384 20 70 DIIDRO CCCc1ccc([C@H](C)[NH2+]Cc2cccc(C(=O)NCC)c2)cc1 ZINC000160177588 332771633 /nfs/dbraw/zinc/77/16/33/332771633.db2.gz DPOGDMQOQUCDHL-INIZCTEOSA-N 1 0 324.468 4.240 20 70 DIIDRO CC[C@@H](C[NH2+][C@@H](C)c1cncs1)Oc1ccccc1Cl ZINC000160439142 332794905 /nfs/dbraw/zinc/79/49/05/332794905.db2.gz GDJGNJWKVKBBSN-RYUDHWBXSA-N 1 0 310.850 4.305 20 70 DIIDRO CCCNC(=O)c1cccc(C[NH2+][C@H](C)c2ccc(C)c(C)c2)c1 ZINC000160590748 332833920 /nfs/dbraw/zinc/83/39/20/332833920.db2.gz NAMVMODIYSKUKF-QGZVFWFLSA-N 1 0 324.468 4.294 20 70 DIIDRO Cc1ccc([C@@H](C)[NH2+]CCCc2nc3c(s2)CCCC3)o1 ZINC000160628664 332840057 /nfs/dbraw/zinc/84/00/57/332840057.db2.gz XWLAJKWSOOKJQJ-CYBMUJFWSA-N 1 0 304.459 4.207 20 70 DIIDRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]CCC(C)(C)C ZINC000159726892 332695043 /nfs/dbraw/zinc/69/50/43/332695043.db2.gz PNPXBIOLFLPEPZ-JTQLQIEISA-N 1 0 305.388 4.149 20 70 DIIDRO COc1ccc(OC)c([C@H](C)[NH2+][C@@H]2CCc3c2cccc3C)c1 ZINC000159975132 332740639 /nfs/dbraw/zinc/74/06/39/332740639.db2.gz LABQHNKMLXGQQQ-IFXJQAMLSA-N 1 0 311.425 4.350 20 70 DIIDRO CC(C)Oc1ccc(C[NH2+][C@@H](C)c2cc3ccccc3o2)cn1 ZINC000160102987 332761442 /nfs/dbraw/zinc/76/14/42/332761442.db2.gz YSEMUONOXVYPGM-AWEZNQCLSA-N 1 0 310.397 4.466 20 70 DIIDRO Cc1csc(CCCC[NH2+][C@@H](C)c2cc(F)cc(F)c2)n1 ZINC000160682314 333476296 /nfs/dbraw/zinc/47/62/96/333476296.db2.gz UMWRBCYZFVUPJA-LBPRGKRZSA-N 1 0 310.413 4.403 20 70 DIIDRO CC(C)COCC[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000160715309 333479850 /nfs/dbraw/zinc/47/98/50/333479850.db2.gz LPDMHASVXGOBBC-AWEZNQCLSA-N 1 0 304.459 4.133 20 70 DIIDRO Cc1cccc([C@H]2CCCN2C(=O)c2ccc(C[NH+](C)C)cc2)c1 ZINC000160782733 333660356 /nfs/dbraw/zinc/66/03/56/333660356.db2.gz DUTZBJVXZJDYGN-HXUWFJFHSA-N 1 0 322.452 4.034 20 70 DIIDRO Cc1ccc([C@@H](C)[NH2+][C@H](c2ccc3c(c2)OCCO3)C(C)C)o1 ZINC000161040926 333787057 /nfs/dbraw/zinc/78/70/57/333787057.db2.gz AZUZEKPPYQZGAK-KUHUBIRLSA-N 1 0 315.413 4.407 20 70 DIIDRO Cc1cc(N[C@H]2CCO[C@@H](C3CC3)C2)c2cc(F)ccc2[nH+]1 ZINC000160303239 334871924 /nfs/dbraw/zinc/87/19/24/334871924.db2.gz FKXOWNVJNKMSLS-KBXCAEBGSA-N 1 0 300.377 4.052 20 70 DIIDRO Cc1ccc(Oc2ccccc2)c(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000161499908 334890195 /nfs/dbraw/zinc/89/01/95/334890195.db2.gz GZLGFXVBXKLILD-HOTGVXAUSA-N 1 0 324.424 4.243 20 70 DIIDRO C[C@@H]([NH2+]Cc1ccc2c(c1)OCO2)c1ccc2ccccc2c1 ZINC000216659986 336280271 /nfs/dbraw/zinc/28/02/71/336280271.db2.gz YTBCRLYAOWVFSJ-CQSZACIVSA-N 1 0 305.377 4.419 20 70 DIIDRO CC[C@@H]([NH2+][C@@H](C)C(=O)N1CCC(C)CC1)c1ccc(Cl)cc1 ZINC000218034198 337082421 /nfs/dbraw/zinc/08/24/21/337082421.db2.gz KJJNSWQNLGEGOH-WMLDXEAASA-N 1 0 322.880 4.028 20 70 DIIDRO C[C@H]([NH2+]C[C@@H](Cc1ccccc1)c1ccccc1)[C@@H]1CCOC1 ZINC000161240933 337574922 /nfs/dbraw/zinc/57/49/22/337574922.db2.gz OEXXKEMJKILGDF-IOMROCGXSA-N 1 0 309.453 4.028 20 70 DIIDRO CC1(C)C[C@H]([NH2+][C@H](c2ccccc2)c2ccc(F)cc2)CCO1 ZINC000159942756 338536429 /nfs/dbraw/zinc/53/64/29/338536429.db2.gz KBPKTYQLXXWXGX-RTBURBONSA-N 1 0 313.416 4.462 20 70 DIIDRO C[C@@H](NC1CC[NH+](C2CCCC2)CC1)c1cc2ccccc2o1 ZINC000159957990 338536734 /nfs/dbraw/zinc/53/67/34/338536734.db2.gz BINIPBSCWAYSEA-OAHLLOKOSA-N 1 0 312.457 4.490 20 70 DIIDRO Brc1ccc(C[NH2+][C@H]2CC=CCC2)c2ncccc12 ZINC000160332196 338547680 /nfs/dbraw/zinc/54/76/80/338547680.db2.gz BRHQGUPILZNMCX-ZDUSSCGKSA-N 1 0 317.230 4.196 20 70 DIIDRO C[C@H](CCc1ccc(O)cc1)[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000160885076 338569384 /nfs/dbraw/zinc/56/93/84/338569384.db2.gz LKPJJAQBZCJXQL-GFCCVEGCSA-N 1 0 307.796 4.296 20 70 DIIDRO C[C@@H]([NH2+]C[C@@H](O)Cc1ccccc1)c1ccc2ccccc2c1 ZINC000218706921 340497878 /nfs/dbraw/zinc/49/78/78/340497878.db2.gz VCUOHKUAEHESKU-IERDGZPVSA-N 1 0 305.421 4.094 20 70 DIIDRO CCNC(=O)c1cccc(C[NH2+][C@H]2CC[C@H](C)c3ccccc32)c1 ZINC000160190089 519899758 /nfs/dbraw/zinc/89/97/58/519899758.db2.gz XWDLTUOTMCCHRP-YWZLYKJASA-N 1 0 322.452 4.165 20 70 DIIDRO CCCNC(=O)c1cccc(C[NH2+][C@@H](C)c2sccc2C)c1 ZINC000160595056 519903399 /nfs/dbraw/zinc/90/33/99/519903399.db2.gz RLVPCSOXOIWZSU-AWEZNQCLSA-N 1 0 316.470 4.047 20 70 DIIDRO CC1(C)Cc2occc2[C@@H](NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000160473156 520587084 /nfs/dbraw/zinc/58/70/84/520587084.db2.gz HUAGMGXOLYBQSZ-SFHVURJKSA-N 1 0 316.489 4.290 20 70 DIIDRO CCCCOc1cccc(C[NH2+][C@H](C)c2cnn(C(C)C)c2)c1 ZINC000160833129 520902848 /nfs/dbraw/zinc/90/28/48/520902848.db2.gz HHZIUILIDRDQEU-MRXNPFEDSA-N 1 0 315.461 4.494 20 70 DIIDRO CCc1nc(C)c([C@H](C)[NH2+]Cc2ccc(OC(C)C)nc2)s1 ZINC000160038282 522233910 /nfs/dbraw/zinc/23/39/10/522233910.db2.gz DPZVRDMTLSFNCG-LBPRGKRZSA-N 1 0 319.474 4.047 20 70 DIIDRO Cc1cccc([C@H](C)[NH2+]C2CCN([C@@H](C)c3ccncc3)CC2)c1 ZINC000159885140 524872802 /nfs/dbraw/zinc/87/28/02/524872802.db2.gz KTDVPJSIBKLMJQ-ROUUACIJSA-N 1 0 323.484 4.266 20 70 DIIDRO Cc1ccccc1NC(=O)[C@@H](C)SCC[NH+](C(C)C)C(C)C ZINC000160954298 525257514 /nfs/dbraw/zinc/25/75/14/525257514.db2.gz SOHKFUKYZODPMP-MRXNPFEDSA-N 1 0 322.518 4.174 20 70 DIIDRO C[C@H]([NH2+]C1CCN(C)CC1)c1ccccc1OCc1ccccc1 ZINC000161447014 525292469 /nfs/dbraw/zinc/29/24/69/525292469.db2.gz WGRAOSSZNPDTLU-KRWDZBQOSA-N 1 0 324.468 4.010 20 70 DIIDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(C)nc2)c2ccccc12 ZINC000161277817 525322893 /nfs/dbraw/zinc/32/28/93/525322893.db2.gz ODTYKHUYODLKPL-HNNXBMFYSA-N 1 0 306.409 4.403 20 70 DIIDRO C[C@@H]([NH2+]CC(C)(C)c1cccc(C(F)(F)F)c1)c1cnccn1 ZINC000160259582 525416423 /nfs/dbraw/zinc/41/64/23/525416423.db2.gz WKECVAMTUSCSKV-GFCCVEGCSA-N 1 0 323.362 4.124 20 70 DIIDRO COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C)s1)CCCO2 ZINC000160905473 525589114 /nfs/dbraw/zinc/58/91/14/525589114.db2.gz OLDVUAFFRHFUKT-MRXNPFEDSA-N 1 0 303.427 4.069 20 70 DIIDRO C[C@H]([NH2+][C@H](CCO)c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000161073588 525594083 /nfs/dbraw/zinc/59/40/83/525594083.db2.gz ZADLFBSVTFYCCL-SUMWQHHRSA-N 1 0 321.367 4.062 20 70 DIIDRO C[C@@H]([NH2+][C@@H](CCCO)c1ccccc1)c1cc(F)cc(F)c1 ZINC000160805505 525624690 /nfs/dbraw/zinc/62/46/90/525624690.db2.gz GVGXNJSAMUIOHB-ACJLOTCBSA-N 1 0 305.368 4.129 20 70 DIIDRO CC[C@H](C[NH2+][C@H](C)c1cncc(F)c1)Oc1ccccc1Cl ZINC000160450179 332796531 /nfs/dbraw/zinc/79/65/31/332796531.db2.gz DSHRGGGZKHIXLA-IUODEOHRSA-N 1 0 322.811 4.382 20 70 DIIDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCC(C)CC3)nc2)cc1 ZINC000160509661 332813767 /nfs/dbraw/zinc/81/37/67/332813767.db2.gz HNSNCDYYVORSCB-SFHVURJKSA-N 1 0 323.484 4.477 20 70 DIIDRO Cc1ccccc1[C@@H](C)[NH2+]Cc1cccc(OCC(F)F)c1 ZINC000159416413 332099904 /nfs/dbraw/zinc/09/99/04/332099904.db2.gz BIDHWZROEWBRKT-CQSZACIVSA-N 1 0 305.368 4.490 20 70 DIIDRO C[C@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000161036557 332464433 /nfs/dbraw/zinc/46/44/33/332464433.db2.gz OPOGTZXLLKWZHQ-YSGRDPCXSA-N 1 0 322.452 4.000 20 70 DIIDRO C[C@@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)C[C@@H]1CCC[NH2+]1 ZINC000161038445 332467203 /nfs/dbraw/zinc/46/72/03/332467203.db2.gz QXXRZLVJFWSYBT-JXFKEZNVSA-N 1 0 322.452 4.015 20 70 DIIDRO Cc1nc2c(s1)[C@@H]([NH2+]CCCc1cccc(F)c1)CCC2 ZINC000159795264 332705392 /nfs/dbraw/zinc/70/53/92/332705392.db2.gz UNZCXVWEHVCTIQ-HNNXBMFYSA-N 1 0 304.434 4.190 20 70 DIIDRO CC(C)Oc1ccc(C[NH2+][C@H](C)c2cc3c(s2)CCC3)cn1 ZINC000160074274 332757257 /nfs/dbraw/zinc/75/72/57/332757257.db2.gz RHKDISRNCJSQKX-CYBMUJFWSA-N 1 0 316.470 4.270 20 70 DIIDRO C[C@H]1CCc2nc(C[NH2+][C@@H]3CCCc4sccc43)sc2C1 ZINC000160993301 333776721 /nfs/dbraw/zinc/77/67/21/333776721.db2.gz ARBJAMRRGRKMQM-WCQYABFASA-N 1 0 318.511 4.497 20 70 DIIDRO C[C@H]([NH2+]C[C@@H](c1ccco1)N1CCCC1)c1ccccc1Cl ZINC000216631978 336277990 /nfs/dbraw/zinc/27/79/90/336277990.db2.gz IHTKZQDTYLINED-YOEHRIQHSA-N 1 0 318.848 4.421 20 70 DIIDRO Cc1ccc(NC(=O)C[NH2+][C@H](C)c2cc3ccccc3o2)cc1C ZINC000216685300 337600848 /nfs/dbraw/zinc/60/08/48/337600848.db2.gz NSIXPHVLIXWLIF-OAHLLOKOSA-N 1 0 322.408 4.339 20 70 DIIDRO CC(=O)NC1CCC([NH2+][C@H](c2cccc(C)c2)C(C)(C)C)CC1 ZINC000161345361 519645738 /nfs/dbraw/zinc/64/57/38/519645738.db2.gz AAVRDYCRFQYKPV-CTWPCTMYSA-N 1 0 316.489 4.119 20 70 DIIDRO CC(C)Oc1ccc(C[NH2+][C@H]2CCCc3sccc32)cn1 ZINC000160084100 519779941 /nfs/dbraw/zinc/77/99/41/519779941.db2.gz WRZGZFCJLYYXPG-HNNXBMFYSA-N 1 0 302.443 4.098 20 70 DIIDRO CC[C@H]([NH2+]Cc1cccc(NC(C)=O)c1)c1ccc(F)cc1 ZINC000160756658 522655832 /nfs/dbraw/zinc/65/58/32/522655832.db2.gz UUYTXWLUQHOTRR-SFHVURJKSA-N 1 0 300.377 4.025 20 70 DIIDRO Cc1ccc(C[NH2+][C@@H](C)c2cccc(OC(F)(F)F)c2)cn1 ZINC000161322861 524592439 /nfs/dbraw/zinc/59/24/39/524592439.db2.gz MJVFUUMLIBWXBE-LBPRGKRZSA-N 1 0 310.319 4.139 20 70 DIIDRO Cc1ccccc1[C@@H](C)[NH2+]C1CCN([C@@H](C)c2ccncc2)CC1 ZINC000159886726 525359126 /nfs/dbraw/zinc/35/91/26/525359126.db2.gz OSEIKTXQZPFOKH-MSOLQXFVSA-N 1 0 323.484 4.266 20 70 DIIDRO C[C@@H]([NH2+]CC1(Sc2ccccc2)CCCC1)c1cnccn1 ZINC000160352675 525425081 /nfs/dbraw/zinc/42/50/81/525425081.db2.gz QBLFKTWPBRXMDP-OAHLLOKOSA-N 1 0 313.470 4.232 20 70 DIIDRO C[C@H]([NH2+][C@H](CCCO)c1ccccc1)c1ccc2c(c1)CCC2 ZINC000160740313 525593838 /nfs/dbraw/zinc/59/38/38/525593838.db2.gz AKZWBAOXAMFEGP-HRAATJIYSA-N 1 0 309.453 4.340 20 70 DIIDRO Cc1ccc(-c2nc(C[NH2+][C@H]3CCOC(C)(C)C3)cs2)cc1 ZINC000160484940 525814862 /nfs/dbraw/zinc/81/48/62/525814862.db2.gz VYJJXFRBNCLTCR-HNNXBMFYSA-N 1 0 316.470 4.166 20 70 DIIDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCC(C)CC3)nc2)o1 ZINC000160510054 525928620 /nfs/dbraw/zinc/92/86/20/525928620.db2.gz SOUPSUBQTAGZDH-INIZCTEOSA-N 1 0 313.445 4.070 20 70 DIIDRO Cc1csc(CCCC[NH2+][C@@H](C)c2cccnc2Cl)n1 ZINC000160661691 526337908 /nfs/dbraw/zinc/33/79/08/526337908.db2.gz JSVAHBSKDVELJJ-LBPRGKRZSA-N 1 0 309.866 4.173 20 70 DIIDRO Cc1csc(CCCC[NH2+][C@@H]2CCCOc3ccccc32)n1 ZINC000160687108 526338876 /nfs/dbraw/zinc/33/88/76/526338876.db2.gz YYSFBXOGRWRQJK-MRXNPFEDSA-N 1 0 316.470 4.278 20 70 DIIDRO Cc1csc(CCCC[NH2+][C@H]2CCc3cc(F)ccc32)n1 ZINC000160640334 526339661 /nfs/dbraw/zinc/33/96/61/526339661.db2.gz LYJKGGYSPHZRJH-INIZCTEOSA-N 1 0 304.434 4.190 20 70 DIIDRO Cc1csc(CCCC[NH2+][C@H](C)c2cccnc2Cl)n1 ZINC000160661856 526340209 /nfs/dbraw/zinc/34/02/09/526340209.db2.gz JSVAHBSKDVELJJ-GFCCVEGCSA-N 1 0 309.866 4.173 20 70 DIIDRO Cc1ncc([C@H](C)[NH2+][C@@H]2CCSc3ccc(F)cc32)c(C)n1 ZINC000159432092 527309448 /nfs/dbraw/zinc/30/94/48/527309448.db2.gz LRRZQBRLMYWCSL-MEDUHNTESA-N 1 0 317.433 4.120 20 70 DIIDRO CC[C@H](C[NH2+][C@@H](C)c1cnn(C(C)C)c1)Oc1ccccc1F ZINC000160333605 332785704 /nfs/dbraw/zinc/78/57/04/332785704.db2.gz CXZZFAAJDOHEJU-GOEBONIOSA-N 1 0 319.424 4.111 20 70 DIIDRO C[C@@H]([NH2+]CCc1csc(-c2ccccc2)n1)c1ccncc1 ZINC000160384504 332789990 /nfs/dbraw/zinc/78/99/90/332789990.db2.gz WHTDQEJJUKJXEE-CQSZACIVSA-N 1 0 309.438 4.098 20 70 DIIDRO CCC[C@H]([NH2+]C[C@H](C[C@@H](C)O)c1ccccc1)c1ccccn1 ZINC000159373950 332081105 /nfs/dbraw/zinc/08/11/05/332081105.db2.gz OCCRIHFZCOEOKK-NEWSRXKRSA-N 1 0 312.457 4.067 20 70 DIIDRO CCS[C@H]1CCC[C@@H]([NH2+]C2CCN(c3ccccc3)CC2)C1 ZINC000159416576 332099953 /nfs/dbraw/zinc/09/99/53/332099953.db2.gz NICLPYSWORGWCU-MJGOQNOKSA-N 1 0 318.530 4.309 20 70 DIIDRO CC(=O)Nc1cccc([C@H](C)[NH2+]CCc2cc(C)cc(C)c2)c1 ZINC000159449487 332130308 /nfs/dbraw/zinc/13/03/08/332130308.db2.gz ICQIXUMHRNSZOU-INIZCTEOSA-N 1 0 310.441 4.155 20 70 DIIDRO C[C@@H]([NH2+]CCCN1CCCC1=O)c1cccc(-c2ccccc2)c1 ZINC000159469885 332136800 /nfs/dbraw/zinc/13/68/00/332136800.db2.gz LXFKDOYRAUSOHE-QGZVFWFLSA-N 1 0 322.452 4.017 20 70 DIIDRO C[C@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)C[C@@H]1CCC[NH2+]1 ZINC000161038541 332467807 /nfs/dbraw/zinc/46/78/07/332467807.db2.gz QXXRZLVJFWSYBT-UZLBHIALSA-N 1 0 322.452 4.015 20 70 DIIDRO COc1ccc(OC)c([C@@H](C)[NH2+][C@H]2CCc3c2cccc3C)c1 ZINC000159975255 332740787 /nfs/dbraw/zinc/74/07/87/332740787.db2.gz LABQHNKMLXGQQQ-KUHUBIRLSA-N 1 0 311.425 4.350 20 70 DIIDRO C[NH+]1CCC(N[C@H](c2cccs2)c2ccc(Cl)cc2)CC1 ZINC000160440580 333343101 /nfs/dbraw/zinc/34/31/01/333343101.db2.gz YIVOWKVXADDBTI-KRWDZBQOSA-N 1 0 320.889 4.175 20 70 DIIDRO CC[C@@H]([NH2+]Cc1ccc2c(c1)OCCCO2)c1ccc(F)cc1 ZINC000160874433 333673966 /nfs/dbraw/zinc/67/39/66/333673966.db2.gz BJOMJFJECCGACY-QGZVFWFLSA-N 1 0 315.388 4.228 20 70 DIIDRO COc1ccc([C@H](C)[NH2+][C@H](CCO)c2ccccc2)cc1Cl ZINC000160990381 333769869 /nfs/dbraw/zinc/76/98/69/333769869.db2.gz SUXIXHPSVWJZLX-SUMWQHHRSA-N 1 0 319.832 4.123 20 70 DIIDRO COc1ccc(COCCC[NH2+][C@H](C)c2cccs2)cc1 ZINC000161070664 333792707 /nfs/dbraw/zinc/79/27/07/333792707.db2.gz YGHZJGKXCIKOKA-CQSZACIVSA-N 1 0 305.443 4.014 20 70 DIIDRO CC[C@@H]([NH2+]CC(=O)N(C)c1ccccc1)c1ccc(Cl)cc1 ZINC000218206943 337082657 /nfs/dbraw/zinc/08/26/57/337082657.db2.gz RABHIGKCNWGXCP-QGZVFWFLSA-N 1 0 316.832 4.044 20 70 DIIDRO C[C@@H]([NH2+]C[C@H](CO)c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000161433471 337584674 /nfs/dbraw/zinc/58/46/74/337584674.db2.gz BUGCGQBMRQJUHB-CZUORRHYSA-N 1 0 323.358 4.132 20 70 DIIDRO C[C@@H]([NH2+]C1CCN(C)CC1)c1ccc(-c2ccc(F)cc2)s1 ZINC000161484002 337588360 /nfs/dbraw/zinc/58/83/60/337588360.db2.gz UOUVZFRFFSHDHX-CYBMUJFWSA-N 1 0 318.461 4.299 20 70 DIIDRO Cc1ccc(-c2noc([C@H](C)[NH2+][C@H]3CCCC[C@@H]3C)n2)cc1F ZINC000218716695 337964524 /nfs/dbraw/zinc/96/45/24/337964524.db2.gz BNXHIUCACQJDBD-XEZPLFJOSA-N 1 0 317.408 4.413 20 70 DIIDRO C[C@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000159931071 338536278 /nfs/dbraw/zinc/53/62/78/338536278.db2.gz QFHBGOWAINXKDV-WCQYABFASA-N 1 0 317.351 4.193 20 70 DIIDRO CC(C)COc1ccc([C@@H](C)[NH2+][C@H]2CCOC(C)(C)C2)cc1 ZINC000159949914 338536448 /nfs/dbraw/zinc/53/64/48/338536448.db2.gz NIEMWEIIJVFSMY-WBVHZDCISA-N 1 0 305.462 4.330 20 70 DIIDRO CC(C)COc1ccc([C@@H](C)[NH2+][C@@H]2CCOC(C)(C)C2)cc1 ZINC000159949642 338536489 /nfs/dbraw/zinc/53/64/89/338536489.db2.gz NIEMWEIIJVFSMY-NVXWUHKLSA-N 1 0 305.462 4.330 20 70 DIIDRO C[C@@H](CC(=O)Nc1ccccc1)[NH2+][C@H]1CCCc2sccc21 ZINC000160991316 338573795 /nfs/dbraw/zinc/57/37/95/338573795.db2.gz YULXLXZYESOYRM-BBRMVZONSA-N 1 0 314.454 4.132 20 70 DIIDRO CC(C)Oc1ccc(C[NH2+][C@@H](C)c2cc(F)c(F)c(F)c2)cn1 ZINC000160066697 519779756 /nfs/dbraw/zinc/77/97/56/519779756.db2.gz NZSBPYQHBSSNJX-NSHDSACASA-N 1 0 324.346 4.137 20 70 DIIDRO CCNC(=O)c1cccc(C[NH2+][C@H](C)c2cc3ccccc3o2)c1 ZINC000160200923 519898774 /nfs/dbraw/zinc/89/87/74/519898774.db2.gz WCEHCTUYRSFIHN-CQSZACIVSA-N 1 0 322.408 4.033 20 70 DIIDRO CC(C)c1noc(CCC[NH2+][C@H]2CCCCc3ccccc32)n1 ZINC000160813397 519902910 /nfs/dbraw/zinc/90/29/10/519902910.db2.gz TWASPIIXZOJKDC-KRWDZBQOSA-N 1 0 313.445 4.183 20 70 DIIDRO CC1(C)Cc2occc2[C@H](NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000160473034 520588452 /nfs/dbraw/zinc/58/84/52/520588452.db2.gz HUAGMGXOLYBQSZ-GOSISDBHSA-N 1 0 316.489 4.290 20 70 DIIDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](CCCO)c2ccccc2)cc1 ZINC000160894220 521226761 /nfs/dbraw/zinc/22/67/61/521226761.db2.gz JZNCJXBXVJDXIA-UZLBHIALSA-N 1 0 313.441 4.250 20 70 DIIDRO Cc1csc(CCCC[NH2+][C@@H]2CCCc3nc(C)sc32)n1 ZINC000160693241 526339900 /nfs/dbraw/zinc/33/99/00/526339900.db2.gz AAZWWBDYFLTTJN-CYBMUJFWSA-N 1 0 321.515 4.206 20 70 DIIDRO Cc1ncc([C@@H](C)[NH2+]CC2(Sc3ccccc3)CC2)c(C)n1 ZINC000160483508 527304967 /nfs/dbraw/zinc/30/49/67/527304967.db2.gz PWOYETSUIYSYDD-CYBMUJFWSA-N 1 0 313.470 4.069 20 70 DIIDRO OCCC[C@@H]([NH2+][C@H](Cc1ccccc1)C1CC1)c1ccccc1 ZINC000160688204 527543695 /nfs/dbraw/zinc/54/36/95/527543695.db2.gz ROUBFYCIHCZTBW-NHCUHLMSSA-N 1 0 309.453 4.111 20 70 DIIDRO CC[C@H](C[NH2+][C@H](C)c1cnn(CC)c1)Oc1ccccc1Cl ZINC000160445215 332796009 /nfs/dbraw/zinc/79/60/09/332796009.db2.gz KCPSJDDXLKOZAX-UKRRQHHQSA-N 1 0 321.852 4.065 20 70 DIIDRO CCCNC(=O)c1cccc(C[NH2+][C@H](CC)c2ccc(C)cc2)c1 ZINC000160569278 332825449 /nfs/dbraw/zinc/82/54/49/332825449.db2.gz OFSQDXFGWLLRBN-HXUWFJFHSA-N 1 0 324.468 4.376 20 70 DIIDRO CCCNC(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(C)c(C)c2)c1 ZINC000160590632 332833968 /nfs/dbraw/zinc/83/39/68/332833968.db2.gz NAMVMODIYSKUKF-KRWDZBQOSA-N 1 0 324.468 4.294 20 70 DIIDRO CC[N@H+](CCc1nccs1)Cc1csc2ccccc12 ZINC000159385135 332082446 /nfs/dbraw/zinc/08/24/46/332082446.db2.gz RUHQVSXUNACYMH-UHFFFAOYSA-N 1 0 302.468 4.422 20 70 DIIDRO Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@H](c2ccccc2)C2CC2)c1 ZINC000159404296 332089909 /nfs/dbraw/zinc/08/99/09/332089909.db2.gz MKDBKFNWMYMODQ-FQEVSTJZSA-N 1 0 322.452 4.189 20 70 DIIDRO CCOc1cccc(C[NH2+][C@H](C)c2ccc(F)cc2N(C)C)c1 ZINC000159407690 332091385 /nfs/dbraw/zinc/09/13/85/332091385.db2.gz AJWJGDLYOJAWGL-CQSZACIVSA-N 1 0 316.420 4.141 20 70 DIIDRO Cc1ccc(OC(F)F)c([C@@H](C)[NH2+][C@@H]2CCCSC2)c1 ZINC000159551193 332657295 /nfs/dbraw/zinc/65/72/95/332657295.db2.gz OHNSSWUEZNVAQW-VXGBXAGGSA-N 1 0 301.402 4.143 20 70 DIIDRO Cc1nc2ccccn2c1C[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000159820481 332709470 /nfs/dbraw/zinc/70/94/70/332709470.db2.gz FIHKSVKKRDCIKF-FQEVSTJZSA-N 1 0 305.425 4.274 20 70 DIIDRO CC(C)C[NH+]1CCC(N[C@H](C)c2cc3ccccc3o2)CC1 ZINC000159882439 332722412 /nfs/dbraw/zinc/72/24/12/332722412.db2.gz PAKVQXRPLDIAMD-OAHLLOKOSA-N 1 0 300.446 4.204 20 70 DIIDRO CCc1ccc([C@@H](C)[NH2+]Cc2ccc(OC(C)C)nc2)s1 ZINC000160104691 332761760 /nfs/dbraw/zinc/76/17/60/332761760.db2.gz SXFFYMOQDRRYLB-CYBMUJFWSA-N 1 0 304.459 4.344 20 70 DIIDRO C[C@H]([NH2+][C@@H](CCCO)c1ccccc1)c1cc2c(s1)CCC2 ZINC000160796843 333368209 /nfs/dbraw/zinc/36/82/09/333368209.db2.gz LUVPVIGKOJZPMV-YOEHRIQHSA-N 1 0 315.482 4.401 20 70 DIIDRO Brc1ccc(C[NH2+][C@@H]2CC=CCC2)c2ncccc12 ZINC000160332312 333517961 /nfs/dbraw/zinc/51/79/61/333517961.db2.gz BRHQGUPILZNMCX-CYBMUJFWSA-N 1 0 317.230 4.196 20 70 DIIDRO CC(C)C[C@H]([NH2+]CC(=O)Nc1ccccc1)c1cccs1 ZINC000160793158 333662790 /nfs/dbraw/zinc/66/27/90/333662790.db2.gz DJVKCOPYRVNOLL-HNNXBMFYSA-N 1 0 302.443 4.064 20 70 DIIDRO Cc1cc(N[C@H]2CCO[C@H](C3CC3)C2)c2cc(F)ccc2[nH+]1 ZINC000160302982 334871961 /nfs/dbraw/zinc/87/19/61/334871961.db2.gz FKXOWNVJNKMSLS-KSSFIOAISA-N 1 0 300.377 4.052 20 70 DIIDRO C[C@H]([NH2+]Cc1ccc2c(c1)OCO2)c1ccc2ccccc2c1 ZINC000216660032 336280336 /nfs/dbraw/zinc/28/03/36/336280336.db2.gz YTBCRLYAOWVFSJ-AWEZNQCLSA-N 1 0 305.377 4.419 20 70 DIIDRO C[C@@H]([NH2+]C[C@H](Cc1ccccc1)c1ccccc1)C1CCOCC1 ZINC000161258507 337575425 /nfs/dbraw/zinc/57/54/25/337575425.db2.gz HYHFCNGYHAZKBB-GCJKJVERSA-N 1 0 323.480 4.418 20 70 DIIDRO CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1c(C)cc(C)cc1C ZINC000161407538 337584051 /nfs/dbraw/zinc/58/40/51/337584051.db2.gz WWCRPQRQAYWGOX-IRXDYDNUSA-N 1 0 302.462 4.109 20 70 DIIDRO Cc1cc(C)cc(NC(=O)C[NH2+][C@@H](C)c2cc3ccccc3o2)c1 ZINC000216686882 337601011 /nfs/dbraw/zinc/60/10/11/337601011.db2.gz SOIQBJHWUDWLGD-HNNXBMFYSA-N 1 0 322.408 4.339 20 70 DIIDRO C[C@@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000159931204 338536168 /nfs/dbraw/zinc/53/61/68/338536168.db2.gz QFHBGOWAINXKDV-DGCLKSJQSA-N 1 0 317.351 4.193 20 70 DIIDRO C[C@H](CC(=O)Nc1ccccc1)[NH2+][C@H]1CCCc2sccc21 ZINC000160991443 338573941 /nfs/dbraw/zinc/57/39/41/338573941.db2.gz YULXLXZYESOYRM-CJNGLKHVSA-N 1 0 314.454 4.132 20 70 DIIDRO CC(C)C[C@H]([NH2+][C@H](CCCO)c1ccccc1)c1ccccn1 ZINC000160691262 519399109 /nfs/dbraw/zinc/39/91/09/519399109.db2.gz LQZPJEKLKJDGPZ-QUCCMNQESA-N 1 0 312.457 4.272 20 70 DIIDRO CC(C)Oc1ccc(C[NH2+][C@@H]2CCSc3ccccc32)cn1 ZINC000160049302 519779861 /nfs/dbraw/zinc/77/98/61/519779861.db2.gz HDCHVTGJYLPZAE-MRXNPFEDSA-N 1 0 314.454 4.196 20 70 DIIDRO CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCCSC1 ZINC000159552872 519845428 /nfs/dbraw/zinc/84/54/28/519845428.db2.gz CSKBZSYSUCYOTM-LSDHHAIUSA-N 1 0 320.502 4.012 20 70 DIIDRO CCCCOc1cccc(C[NH2+][C@@H](C)c2cnc(C)nc2C)c1 ZINC000160821704 520903349 /nfs/dbraw/zinc/90/33/49/520903349.db2.gz OVUPSAUWMWOWSJ-AWEZNQCLSA-N 1 0 313.445 4.123 20 70 DIIDRO CCOc1ccc([C@@H](C)[NH2+][C@H](CCCO)c2ccccc2)cc1 ZINC000160894490 521225640 /nfs/dbraw/zinc/22/56/40/521225640.db2.gz JZNCJXBXVJDXIA-OXQOHEQNSA-N 1 0 313.441 4.250 20 70 DIIDRO CC[C@@H]([NH2+]Cc1cccc(NC(C)=O)c1)c1ccc(F)cc1 ZINC000160756799 522880016 /nfs/dbraw/zinc/88/00/16/522880016.db2.gz UUYTXWLUQHOTRR-GOSISDBHSA-N 1 0 300.377 4.025 20 70 DIIDRO Cc1ccc(C[NH2+][C@@H](C)[C@@H](C)c2nc3ccccc3s2)cn1 ZINC000161293953 524591128 /nfs/dbraw/zinc/59/11/28/524591128.db2.gz QZFXXMKIJHHHIR-KGLIPLIRSA-N 1 0 311.454 4.282 20 70 DIIDRO C[C@H]1C[C@@H]([NH2+]C[C@H](CO)c2ccccc2)c2ccsc2S1 ZINC000161468731 524809571 /nfs/dbraw/zinc/80/95/71/524809571.db2.gz HZYSQMGDAVTTJX-JGGQBBKZSA-N 1 0 319.495 4.039 20 70 DIIDRO Cc1cccc([C@@H](C)[NH2+]C2CCN([C@@H](C)c3ccncc3)CC2)c1 ZINC000159885005 524826324 /nfs/dbraw/zinc/82/63/24/524826324.db2.gz KTDVPJSIBKLMJQ-MSOLQXFVSA-N 1 0 323.484 4.266 20 70 DIIDRO C[C@H]([NH2+]CCC1CCN(CC(F)(F)F)CC1)c1cccs1 ZINC000159971971 525329961 /nfs/dbraw/zinc/32/99/61/525329961.db2.gz YSWSVAHVYFTGAZ-LBPRGKRZSA-N 1 0 320.424 4.063 20 70 DIIDRO Cc1ccccc1[C@H](C)[NH2+][C@@H](CN1CCCC1=O)c1ccccc1 ZINC000160742314 525418089 /nfs/dbraw/zinc/41/80/89/525418089.db2.gz CBZNYQDDMCQUQD-PXNSSMCTSA-N 1 0 322.452 4.009 20 70 DIIDRO C[C@@H]([NH2+]CCC1CCN(CC(F)(F)F)CC1)c1cccs1 ZINC000159972102 525430406 /nfs/dbraw/zinc/43/04/06/525430406.db2.gz YSWSVAHVYFTGAZ-GFCCVEGCSA-N 1 0 320.424 4.063 20 70 DIIDRO C[C@@H]([NH2+]Cc1ccc(N2CCCCCC2)nc1)c1cccs1 ZINC000160530188 525526461 /nfs/dbraw/zinc/52/64/61/525526461.db2.gz VNTDMIBLHCEUPN-OAHLLOKOSA-N 1 0 315.486 4.374 20 70 DIIDRO C[C@H]([NH2+][C@@H](CCCO)c1ccccc1)c1ccc2c(c1)CCC2 ZINC000160740048 525540873 /nfs/dbraw/zinc/54/08/73/525540873.db2.gz AKZWBAOXAMFEGP-KKSFZXQISA-N 1 0 309.453 4.340 20 70 DIIDRO Cc1ccc(-c2nc(C[NH2+][C@@H]3CCOC(C)(C)C3)cs2)cc1 ZINC000160484840 525813968 /nfs/dbraw/zinc/81/39/68/525813968.db2.gz VYJJXFRBNCLTCR-OAHLLOKOSA-N 1 0 316.470 4.166 20 70 DIIDRO Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]C[C@@](C)(O)c1ccsc1 ZINC000159924046 526676979 /nfs/dbraw/zinc/67/69/79/526676979.db2.gz QTRIYIDBQGCSSY-BDJLRTHQSA-N 1 0 324.515 4.195 20 70 DIIDRO Cc1nc(C(C)C)sc1[C@@H](C)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000161028162 526678547 /nfs/dbraw/zinc/67/85/47/526678547.db2.gz KNOYUVLQHJDDDB-SNPRPXQTSA-N 1 0 309.523 4.098 20 70 DIIDRO CCCNC(=O)c1cccc(C[NH2+][C@H](C)c2cccc(C)c2C)c1 ZINC000160573742 332830515 /nfs/dbraw/zinc/83/05/15/332830515.db2.gz FQTZIHVNVJOZKZ-QGZVFWFLSA-N 1 0 324.468 4.294 20 70 DIIDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)c(Cl)c1OC ZINC000216867075 331557057 /nfs/dbraw/zinc/55/70/57/331557057.db2.gz HCHSIOYYNPKYKJ-MBNYWOFBSA-N 1 0 311.853 4.272 20 70 DIIDRO C[C@H]([NH2+]CCOCC(F)(F)F)c1ccc(-c2ccccc2)o1 ZINC000159371095 332080038 /nfs/dbraw/zinc/08/00/38/332080038.db2.gz FNUQANMWUCYFPJ-LBPRGKRZSA-N 1 0 313.319 4.176 20 70 DIIDRO Cc1cc(C[NH+](C)C)cc(NC(=O)[C@H](c2ccccc2)C2CC2)c1 ZINC000159404410 332090164 /nfs/dbraw/zinc/09/01/64/332090164.db2.gz MKDBKFNWMYMODQ-HXUWFJFHSA-N 1 0 322.452 4.189 20 70 DIIDRO CC[C@@H]([NH2+][C@H](C)c1ccc(-n2ccnn2)cc1)c1ccccc1 ZINC000159869329 332717711 /nfs/dbraw/zinc/71/77/11/332717711.db2.gz LJCMTEMFZDSDGM-DNVCBOLYSA-N 1 0 306.413 4.069 20 70 DIIDRO CCn1nccc1C[NH2+][C@H](C)C(c1ccccc1)c1ccccc1 ZINC000159935888 332732362 /nfs/dbraw/zinc/73/23/62/332732362.db2.gz NCNZJKZUKLCNBM-QGZVFWFLSA-N 1 0 319.452 4.213 20 70 DIIDRO COc1cccc(CCC[NH+]2CCC(OC3CCCC3)CC2)c1 ZINC000159976422 332740736 /nfs/dbraw/zinc/74/07/36/332740736.db2.gz NUGNYJMZALODMU-UHFFFAOYSA-N 1 0 317.473 4.051 20 70 DIIDRO CC(C)Oc1ccc(C[NH2+][C@@H]2c3cc(F)ccc3C[C@H]2C)cn1 ZINC000160110390 332762093 /nfs/dbraw/zinc/76/20/93/332762093.db2.gz KQAUUQIIONPOAL-YJYMSZOUSA-N 1 0 314.404 4.031 20 70 DIIDRO CC[C@H]([NH2+]CC(=O)N(C(C)C)C(C)C)c1ccc(Cl)cc1 ZINC000218208608 337082661 /nfs/dbraw/zinc/08/26/61/337082661.db2.gz UTBYYLSYVICGKG-INIZCTEOSA-N 1 0 310.869 4.026 20 70 DIIDRO CCN(C(=O)[C@@H](C)[NH2+][C@@H](c1ccccc1)C1CC1)c1ccccc1 ZINC000218046964 337324530 /nfs/dbraw/zinc/32/45/30/337324530.db2.gz MIICVXMTBPRMKV-UZLBHIALSA-N 1 0 322.452 4.169 20 70 DIIDRO C[C@H]([NH2+]C[C@@H](Cc1ccccc1)c1ccccc1)C1CCOCC1 ZINC000161258194 337575454 /nfs/dbraw/zinc/57/54/54/337575454.db2.gz HYHFCNGYHAZKBB-PGRDOPGGSA-N 1 0 323.480 4.418 20 70 DIIDRO C[C@H]([NH2+]C1CCN(C)CC1)c1ccc(-c2ccc(F)cc2)s1 ZINC000161483855 337588372 /nfs/dbraw/zinc/58/83/72/337588372.db2.gz UOUVZFRFFSHDHX-ZDUSSCGKSA-N 1 0 318.461 4.299 20 70 DIIDRO COc1cccc2cc([C@@H](C)[NH2+][C@@H]3CCOC(C)(C)C3)oc21 ZINC000159953569 338536606 /nfs/dbraw/zinc/53/66/06/338536606.db2.gz UFDLPYGRNDBWDZ-TZMCWYRMSA-N 1 0 303.402 4.050 20 70 DIIDRO c1sc(-c2ccccn2)nc1C[NH2+]CCCC1CCCC1 ZINC000218213174 340493587 /nfs/dbraw/zinc/49/35/87/340493587.db2.gz ZQMCZQLAAKZVPC-UHFFFAOYSA-N 1 0 301.459 4.265 20 70 DIIDRO C[C@@H]([NH2+]C[C@@H](O)Cc1ccccc1)c1cccc2ccccc21 ZINC000218711305 340497864 /nfs/dbraw/zinc/49/78/64/340497864.db2.gz RQPSZYPWTRLSLC-APWZRJJASA-N 1 0 305.421 4.094 20 70 DIIDRO CC(C)C[C@@H]([NH2+][C@H](CCCO)c1ccccc1)c1ccccn1 ZINC000160691387 519252975 /nfs/dbraw/zinc/25/29/75/519252975.db2.gz LQZPJEKLKJDGPZ-UYAOXDASSA-N 1 0 312.457 4.272 20 70 DIIDRO CC(C)c1noc(CCC[NH2+][C@@H]2CCCCc3ccccc32)n1 ZINC000160813310 519902050 /nfs/dbraw/zinc/90/20/50/519902050.db2.gz TWASPIIXZOJKDC-QGZVFWFLSA-N 1 0 313.445 4.183 20 70 DIIDRO CCC[C@H]([NH2+]Cc1cccc(C(=O)NCC)c1)c1ccccc1 ZINC000160155541 521163439 /nfs/dbraw/zinc/16/34/39/521163439.db2.gz SHMWDIZAQCCTQJ-IBGZPJMESA-N 1 0 310.441 4.067 20 70 DIIDRO CCS[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCc3nc(C)sc32)C1 ZINC000159431269 521724965 /nfs/dbraw/zinc/72/49/65/521724965.db2.gz FHZGJYPCYXGFGY-UMVBOHGHSA-N 1 0 310.532 4.483 20 70 DIIDRO COc1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000160513784 521838319 /nfs/dbraw/zinc/83/83/19/521838319.db2.gz RCCPTRCOIWTPMH-GFCCVEGCSA-N 1 0 318.244 4.049 20 70 DIIDRO COc1cc(Cl)c(C[NH2+][C@@H]2CCOC(C)(C)C2)cc1Cl ZINC000160504917 522523341 /nfs/dbraw/zinc/52/33/41/522523341.db2.gz QKIDRDVWQFHZAK-LLVKDONJSA-N 1 0 318.244 4.049 20 70 DIIDRO COc1ccc(C[NH+]2CCC(OC(C)(C)C)CC2)cc1Cl ZINC000161230107 524024821 /nfs/dbraw/zinc/02/48/21/524024821.db2.gz ZVZMGPJNZLUNSD-UHFFFAOYSA-N 1 0 311.853 4.128 20 70 DIIDRO Cc1cccc([C@@H](C)[NH2+]C2CCN([C@H](C)c3ccncc3)CC2)c1 ZINC000159885282 524826027 /nfs/dbraw/zinc/82/60/27/524826027.db2.gz KTDVPJSIBKLMJQ-QZTJIDSGSA-N 1 0 323.484 4.266 20 70 DIIDRO Cc1ccccc1NC(=O)[C@H](C)SCC[NH+](C(C)C)C(C)C ZINC000160954413 525259666 /nfs/dbraw/zinc/25/96/66/525259666.db2.gz SOHKFUKYZODPMP-INIZCTEOSA-N 1 0 322.518 4.174 20 70 DIIDRO C[C@H](NC1CC[NH+](C2CCCC2)CC1)c1cc(F)cc(F)c1 ZINC000160486575 525295043 /nfs/dbraw/zinc/29/50/43/525295043.db2.gz LVWYFXSQRPWALI-ZDUSSCGKSA-N 1 0 308.416 4.022 20 70 DIIDRO C[C@@H]([NH2+][C@H](C)c1ccccn1)c1ccc(OCC2CC2)c(F)c1 ZINC000159374638 525662895 /nfs/dbraw/zinc/66/28/95/525662895.db2.gz SKNWSSZYMXLLCA-ZIAGYGMSSA-N 1 0 314.404 4.421 20 70 DIIDRO Cc1ccc([C@H](C)[NH2+][C@@H](CN2CCCC2=O)c2ccccc2)cc1 ZINC000160774864 525936945 /nfs/dbraw/zinc/93/69/45/525936945.db2.gz XLSFDJYBDLBGIV-PXNSSMCTSA-N 1 0 322.452 4.009 20 70 DIIDRO Cc1csc(CCCC[NH2+][C@H]2CCCOc3ccccc32)n1 ZINC000160687242 526340245 /nfs/dbraw/zinc/34/02/45/526340245.db2.gz YYSFBXOGRWRQJK-INIZCTEOSA-N 1 0 316.470 4.278 20 70 DIIDRO Cc1ncc([C@H](C)[NH2+][C@@H](C)c2ccc3c(c2)CCCC3)c(C)n1 ZINC000160294274 527310830 /nfs/dbraw/zinc/31/08/30/527310830.db2.gz ALWJFAYBIUKNCQ-KBPBESRZSA-N 1 0 309.457 4.384 20 70 DIIDRO Cc1ccc(C(=O)CC[NH2+][C@@H](c2ncccc2C)C(C)C)cc1 ZINC000160569499 332825467 /nfs/dbraw/zinc/82/54/67/332825467.db2.gz QAFPHNLHYXCMRG-LJQANCHMSA-N 1 0 310.441 4.258 20 70 DIIDRO CC[C@@](C)([NH2+]CCC(=O)c1ccc(C)cc1)c1nc(C)cs1 ZINC000160636271 332841076 /nfs/dbraw/zinc/84/10/76/332841076.db2.gz CRXCBQNRXJSXJL-GOSISDBHSA-N 1 0 316.470 4.248 20 70 DIIDRO C[C@@H]([NH2+]CCOCC(F)(F)F)c1ccc(-c2ccccc2)o1 ZINC000159371253 332080165 /nfs/dbraw/zinc/08/01/65/332080165.db2.gz FNUQANMWUCYFPJ-GFCCVEGCSA-N 1 0 313.319 4.176 20 70 DIIDRO CCOc1cccc(C[NH2+][C@@H](C)c2ccc(F)cc2N(C)C)c1 ZINC000159407524 332091078 /nfs/dbraw/zinc/09/10/78/332091078.db2.gz AJWJGDLYOJAWGL-AWEZNQCLSA-N 1 0 316.420 4.141 20 70 DIIDRO CCS[C@H]1CCC[C@H]([NH2+]C2CCN(c3ccccc3)CC2)C1 ZINC000159416333 332099843 /nfs/dbraw/zinc/09/98/43/332099843.db2.gz NICLPYSWORGWCU-HKUYNNGSSA-N 1 0 318.530 4.309 20 70 DIIDRO CCSc1ccc([C@H](C)[NH2+]CCc2c(C)noc2C)cc1 ZINC000159440365 332123748 /nfs/dbraw/zinc/12/37/48/332123748.db2.gz MDELSZZVHBACMN-LBPRGKRZSA-N 1 0 304.459 4.297 20 70 DIIDRO C[C@H](c1ccc(-c2ccccc2)cc1)N(C)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000161036812 332464890 /nfs/dbraw/zinc/46/48/90/332464890.db2.gz OPOGTZXLLKWZHQ-XPGWFJOJSA-N 1 0 322.452 4.000 20 70 DIIDRO CC[C@H]([NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1)c1ccccc1 ZINC000159868937 332717650 /nfs/dbraw/zinc/71/76/50/332717650.db2.gz LJCMTEMFZDSDGM-KXBFYZLASA-N 1 0 306.413 4.069 20 70 DIIDRO CC[C@H]([NH2+][C@H](C)c1ccc(-n2ccnn2)cc1)c1ccccc1 ZINC000159869220 332717707 /nfs/dbraw/zinc/71/77/07/332717707.db2.gz LJCMTEMFZDSDGM-BEFAXECRSA-N 1 0 306.413 4.069 20 70 DIIDRO CCCO[C@H]1CCC[N@H+](CCSc2ccccc2F)CC1 ZINC000217005647 333352119 /nfs/dbraw/zinc/35/21/19/333352119.db2.gz KCJVKGUHFKRFSA-HNNXBMFYSA-N 1 0 311.466 4.199 20 70 DIIDRO Cc1ccc(C)c([C@@H](C)[NH2+]Cc2ccccc2Cn2cccn2)c1 ZINC000160696278 333476817 /nfs/dbraw/zinc/47/68/17/333476817.db2.gz PURXVKCFGXTBPV-GOSISDBHSA-N 1 0 319.452 4.399 20 70 DIIDRO CC(C)c1noc(CCC[NH2+][C@H](C)c2cc3c(s2)CCC3)n1 ZINC000160798941 333663127 /nfs/dbraw/zinc/66/31/27/333663127.db2.gz LWNJQFPTTZXUOD-GFCCVEGCSA-N 1 0 319.474 4.027 20 70 DIIDRO Cc1nc(C(C)(C)C)sc1[C@H](C)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000161100764 333807522 /nfs/dbraw/zinc/80/75/22/333807522.db2.gz JWSOBSVBJVRDKN-QEJZJMRPSA-N 1 0 323.550 4.272 20 70 DIIDRO CC[C@H]([NH2+][C@H](C)C(=O)N1CCC(C)CC1)c1ccc(Cl)cc1 ZINC000218034449 337082444 /nfs/dbraw/zinc/08/24/44/337082444.db2.gz KJJNSWQNLGEGOH-PBHICJAKSA-N 1 0 322.880 4.028 20 70 DIIDRO CC[C@H]([NH2+]CC(=O)N(C)c1ccccc1)c1ccc(Cl)cc1 ZINC000218207022 337082693 /nfs/dbraw/zinc/08/26/93/337082693.db2.gz RABHIGKCNWGXCP-KRWDZBQOSA-N 1 0 316.832 4.044 20 70 DIIDRO COc1ccc([C@@H](C)[NH2+]CCSc2ccc(F)cc2)cc1F ZINC000216769602 337226596 /nfs/dbraw/zinc/22/65/96/337226596.db2.gz UNRBFTXLINVQIV-GFCCVEGCSA-N 1 0 323.408 4.416 20 70 DIIDRO CC(C)N(C(=O)C[NH2+][C@H](c1ccccc1)C1CC1)c1ccccc1 ZINC000217553694 337317901 /nfs/dbraw/zinc/31/79/01/337317901.db2.gz AYOHSJLOVMQAKE-OAQYLSRUSA-N 1 0 322.452 4.169 20 70 DIIDRO CCN(C(=O)[C@@H](C)[NH2+][C@H](c1ccccc1)C1CC1)c1ccccc1 ZINC000218047113 337324503 /nfs/dbraw/zinc/32/45/03/337324503.db2.gz MIICVXMTBPRMKV-OXQOHEQNSA-N 1 0 322.452 4.169 20 70 DIIDRO C[C@H](N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc(Cl)ccc1Cl ZINC000217656936 337326726 /nfs/dbraw/zinc/32/67/26/337326726.db2.gz MLQQRIKXKUPAFX-UVBJJODRSA-N 1 0 313.272 4.271 20 70 DIIDRO Cc1ccc(C[NH2+][C@H]2CCCOc3ccc(Cl)cc32)cn1 ZINC000161265066 337576789 /nfs/dbraw/zinc/57/67/89/337576789.db2.gz ZSQWNLNRAFDNHP-INIZCTEOSA-N 1 0 302.805 4.047 20 70 DIIDRO CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1c(C)cc(C)cc1C ZINC000161407677 337584021 /nfs/dbraw/zinc/58/40/21/337584021.db2.gz WWCRPQRQAYWGOX-IAGOWNOFSA-N 1 0 302.462 4.109 20 70 DIIDRO CS[C@@H]1CCC[C@H]([NH2+]Cc2cccc3c2OC(C)(C)C3)C1 ZINC000217812047 340490422 /nfs/dbraw/zinc/49/04/22/340490422.db2.gz NUPODOGEQDKSGF-JKSUJKDBSA-N 1 0 305.487 4.164 20 70 DIIDRO C[C@@H]([NH2+]C[C@H](O)Cc1ccccc1)c1cccc2ccccc21 ZINC000218711472 340497856 /nfs/dbraw/zinc/49/78/56/340497856.db2.gz RQPSZYPWTRLSLC-VQIMIIECSA-N 1 0 305.421 4.094 20 70 DIIDRO CC(C)C[C@@H]([NH2+][C@@H](CCCO)c1ccccc1)c1ccccn1 ZINC000160691116 519253714 /nfs/dbraw/zinc/25/37/14/519253714.db2.gz LQZPJEKLKJDGPZ-AZUAARDMSA-N 1 0 312.457 4.272 20 70 DIIDRO CC(C)C[C@H]([NH2+][C@@H](CCCO)c1ccccc1)c1ccccn1 ZINC000160690990 519398842 /nfs/dbraw/zinc/39/88/42/519398842.db2.gz LQZPJEKLKJDGPZ-ICSRJNTNSA-N 1 0 312.457 4.272 20 70 DIIDRO CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@H]2CCc3ccccc32)c1 ZINC000160955371 519747034 /nfs/dbraw/zinc/74/70/34/519747034.db2.gz PFVNXPARGHDIHR-RDTXWAMCSA-N 1 0 308.425 4.026 20 70 DIIDRO CC(=O)Nc1cccc([C@H](C)[NH2+]CCCc2cccc(F)c2)c1 ZINC000159743463 519748190 /nfs/dbraw/zinc/74/81/90/519748190.db2.gz OPZWAKVOGMNHDS-AWEZNQCLSA-N 1 0 314.404 4.068 20 70 DIIDRO CC(C)Oc1ccc(C[NH2+][C@H](C)c2cc(F)c(F)c(F)c2)cn1 ZINC000160066815 519779892 /nfs/dbraw/zinc/77/98/92/519779892.db2.gz NZSBPYQHBSSNJX-LLVKDONJSA-N 1 0 324.346 4.137 20 70 DIIDRO CC(C)Oc1ccc(C[NH2+][C@H]2CCSc3ccccc32)cn1 ZINC000160049419 519780003 /nfs/dbraw/zinc/78/00/03/519780003.db2.gz HDCHVTGJYLPZAE-INIZCTEOSA-N 1 0 314.454 4.196 20 70 DIIDRO CCNC(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(Cl)s2)c1 ZINC000160168997 519899008 /nfs/dbraw/zinc/89/90/08/519899008.db2.gz CPAXSGKWFDJXHL-NSHDSACASA-N 1 0 322.861 4.002 20 70 DIIDRO CCOC(CC[NH2+][C@H](C)c1ccc(Cl)cc1Cl)OCC ZINC000159532228 521630028 /nfs/dbraw/zinc/63/00/28/521630028.db2.gz CXTYQIFCKYTPPZ-LLVKDONJSA-N 1 0 320.260 4.433 20 70 DIIDRO COc1cc(Cl)c(C[NH2+][C@H]2CCOC(C)(C)C2)cc1Cl ZINC000160505037 522523707 /nfs/dbraw/zinc/52/37/07/522523707.db2.gz QKIDRDVWQFHZAK-NSHDSACASA-N 1 0 318.244 4.049 20 70 DIIDRO CC[C@H]([NH2+][C@H](CCCO)c1ccccc1)c1ccc(OC)cc1 ZINC000160769266 522745143 /nfs/dbraw/zinc/74/51/43/522745143.db2.gz MSPKJQSBAOLLOI-VQTJNVASSA-N 1 0 313.441 4.250 20 70 DIIDRO CC[C@@H]([NH2+][C@H](CN1CCCC1=O)c1ccccc1)c1ccccc1 ZINC000160681163 522942989 /nfs/dbraw/zinc/94/29/89/522942989.db2.gz PRACTZAJUGJVAS-WOJBJXKFSA-N 1 0 322.452 4.091 20 70 DIIDRO C[C@H]([NH2+]CC(C)(C)c1cccc(C(F)(F)F)c1)c1cnccn1 ZINC000160259467 525312738 /nfs/dbraw/zinc/31/27/38/525312738.db2.gz WKECVAMTUSCSKV-LBPRGKRZSA-N 1 0 323.362 4.124 20 70 DIIDRO C[C@@H]([NH2+][C@@H](C)c1ccc(OCC2CC2)c(F)c1)c1ccccn1 ZINC000159374483 525608627 /nfs/dbraw/zinc/60/86/27/525608627.db2.gz SKNWSSZYMXLLCA-UONOGXRCSA-N 1 0 314.404 4.421 20 70 DIIDRO Cc1csc(CCCC[NH2+][C@@H]2CCc3cc(F)ccc32)n1 ZINC000160640210 526339480 /nfs/dbraw/zinc/33/94/80/526339480.db2.gz LYJKGGYSPHZRJH-MRXNPFEDSA-N 1 0 304.434 4.190 20 70 DIIDRO Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]C[C@](C)(O)c1ccsc1 ZINC000159923830 526677143 /nfs/dbraw/zinc/67/71/43/526677143.db2.gz QTRIYIDBQGCSSY-BZNIZROVSA-N 1 0 324.515 4.195 20 70 DIIDRO CC(C)c1ccc(OCC[NH2+][C@@H](C)c2cncc(F)c2)cc1 ZINC000160340877 332785930 /nfs/dbraw/zinc/78/59/30/332785930.db2.gz RTNRMWGQYYSDQY-AWEZNQCLSA-N 1 0 302.393 4.074 20 70 DIIDRO CCCNC(=O)c1cccc(C[NH2+][C@@H](C)c2cccc(C)c2C)c1 ZINC000160573621 332830087 /nfs/dbraw/zinc/83/00/87/332830087.db2.gz FQTZIHVNVJOZKZ-KRWDZBQOSA-N 1 0 324.468 4.294 20 70 DIIDRO Cc1csc(CCCC[NH2+][C@@H](C)c2cc(F)ccc2F)n1 ZINC000160649276 332842839 /nfs/dbraw/zinc/84/28/39/332842839.db2.gz JCQBZTWWHSQBGR-LBPRGKRZSA-N 1 0 310.413 4.403 20 70 DIIDRO Cc1csc(CCCC[NH2+][C@H](C)c2cc(F)ccc2F)n1 ZINC000160649406 332842842 /nfs/dbraw/zinc/84/28/42/332842842.db2.gz JCQBZTWWHSQBGR-GFCCVEGCSA-N 1 0 310.413 4.403 20 70 DIIDRO CCS[C@@H]1CCC[C@@H]([NH2+]C2CCN(c3ccccc3)CC2)C1 ZINC000159416452 332099901 /nfs/dbraw/zinc/09/99/01/332099901.db2.gz NICLPYSWORGWCU-IEBWSBKVSA-N 1 0 318.530 4.309 20 70 DIIDRO COCCOc1cc(C)ccc1C[NH2+][C@H](C)c1ccccc1C ZINC000159784580 332704544 /nfs/dbraw/zinc/70/45/44/332704544.db2.gz WSAHWWWROYXHSZ-QGZVFWFLSA-N 1 0 313.441 4.179 20 70 DIIDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(OC(C)C)nc2)cc1 ZINC000160103283 332761604 /nfs/dbraw/zinc/76/16/04/332761604.db2.gz CJEAWRRJVZAOLR-OAHLLOKOSA-N 1 0 314.429 4.118 20 70 DIIDRO Brc1ccccc1C[NH2+]Cc1cccc2cc[nH]c21 ZINC000218164157 334074869 /nfs/dbraw/zinc/07/48/69/334074869.db2.gz MPPCBFBZYUSQMO-UHFFFAOYSA-N 1 0 315.214 4.220 20 70 DIIDRO Cc1ccc(Oc2ccccc2)c(NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000161499804 334890266 /nfs/dbraw/zinc/89/02/66/334890266.db2.gz GZLGFXVBXKLILD-CVEARBPZSA-N 1 0 324.424 4.243 20 70 DIIDRO CC[C@H]([NH2+][C@@H](C)C(=O)N1CCCCCC1)c1ccc(Cl)cc1 ZINC000218038135 337082478 /nfs/dbraw/zinc/08/24/78/337082478.db2.gz VSAYXYKJQZNJGK-YOEHRIQHSA-N 1 0 322.880 4.172 20 70 DIIDRO Cc1ccc(C[NH2+][C@H]2CCSc3c(Cl)cccc32)cn1 ZINC000161319317 337579422 /nfs/dbraw/zinc/57/94/22/337579422.db2.gz JGBYOURZQUDCAA-HNNXBMFYSA-N 1 0 304.846 4.370 20 70 DIIDRO CCC(CC)[C@@H]([NH2+]C1CCC(NC(C)=O)CC1)c1ccccc1 ZINC000161335741 337581713 /nfs/dbraw/zinc/58/17/13/337581713.db2.gz AXERCNYNNPCOJD-SOAGJPPSSA-N 1 0 316.489 4.201 20 70 DIIDRO Cc1ccc(NC(=O)C[NH2+][C@@H](C)c2cc3ccccc3o2)cc1C ZINC000216685260 337600923 /nfs/dbraw/zinc/60/09/23/337600923.db2.gz NSIXPHVLIXWLIF-HNNXBMFYSA-N 1 0 322.408 4.339 20 70 DIIDRO Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000159982070 338538273 /nfs/dbraw/zinc/53/82/73/338538273.db2.gz DYKBURCUKBTQJB-DGCLKSJQSA-N 1 0 310.507 4.357 20 70 DIIDRO Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+][C@H]1CCOC(C)(C)C1 ZINC000159982314 338538283 /nfs/dbraw/zinc/53/82/83/338538283.db2.gz DYKBURCUKBTQJB-YPMHNXCESA-N 1 0 310.507 4.357 20 70 DIIDRO CC1(C)C[C@@H]([NH2+]C(Cc2ccccc2)Cc2ccccc2)CCO1 ZINC000159986759 338538331 /nfs/dbraw/zinc/53/83/31/338538331.db2.gz OPTCKEMFBPFEFL-FQEVSTJZSA-N 1 0 323.480 4.388 20 70 DIIDRO COc1ccc(OC)c([C@@H](C)[NH2+][C@H]2CCc3ccc(C)cc32)c1 ZINC000159998059 338538944 /nfs/dbraw/zinc/53/89/44/338538944.db2.gz LOGIJLICTOJHJN-KUHUBIRLSA-N 1 0 311.425 4.350 20 70 DIIDRO C[C@@H](CC(=O)Nc1ccccc1)[NH2+][C@@H]1CCCc2sccc21 ZINC000160991059 338573778 /nfs/dbraw/zinc/57/37/78/338573778.db2.gz YULXLXZYESOYRM-XJKSGUPXSA-N 1 0 314.454 4.132 20 70 DIIDRO C[C@H](CC(=O)Nc1ccccc1)[NH2+][C@@H]1CCCc2sccc21 ZINC000160991187 338573800 /nfs/dbraw/zinc/57/38/00/338573800.db2.gz YULXLXZYESOYRM-CZUORRHYSA-N 1 0 314.454 4.132 20 70 DIIDRO CCNC(=O)c1cccc(C[NH2+][C@@H](C)c2cc3ccccc3o2)c1 ZINC000160200799 519898697 /nfs/dbraw/zinc/89/86/97/519898697.db2.gz WCEHCTUYRSFIHN-AWEZNQCLSA-N 1 0 322.408 4.033 20 70 DIIDRO CCNC(=O)c1cccc(C[NH2+][C@@H]2CC[C@@H](C)c3ccccc32)c1 ZINC000160190231 519898781 /nfs/dbraw/zinc/89/87/81/519898781.db2.gz XWDLTUOTMCCHRP-FOIQADDNSA-N 1 0 322.452 4.165 20 70 DIIDRO CC(C)n1cc([C@@H](C)[NH2+][C@H]2CCSc3ccc(F)cc32)cn1 ZINC000159451529 519974057 /nfs/dbraw/zinc/97/40/57/519974057.db2.gz JIHGEECVIRGEMA-WBMJQRKESA-N 1 0 319.449 4.491 20 70 DIIDRO CCc1nc(C)c([C@H](C)[NH2+]CCCCc2nc(C)cs2)s1 ZINC000160643778 522232449 /nfs/dbraw/zinc/23/24/49/522232449.db2.gz QTJQOGVMCODCMR-LBPRGKRZSA-N 1 0 323.531 4.452 20 70 DIIDRO CC[C@H]([NH2+][C@@H](CN1CCCC1=O)c1ccccc1)c1ccccc1 ZINC000160680798 522706084 /nfs/dbraw/zinc/70/60/84/522706084.db2.gz PRACTZAJUGJVAS-PMACEKPBSA-N 1 0 322.452 4.091 20 70 DIIDRO CC[C@H]([NH2+][C@H](CN1CCCC1=O)c1ccccc1)c1ccccc1 ZINC000160681025 522746773 /nfs/dbraw/zinc/74/67/73/522746773.db2.gz PRACTZAJUGJVAS-VQTJNVASSA-N 1 0 322.452 4.091 20 70 DIIDRO CC[C@@H]([NH2+]C1CCN([C@@H](C)c2ccncc2)CC1)c1ccccc1 ZINC000159883875 522810898 /nfs/dbraw/zinc/81/08/98/522810898.db2.gz DVEYJTXQUVHFOM-LAUBAEHRSA-N 1 0 323.484 4.348 20 70 DIIDRO CC[C@@H]([NH2+][C@H](CCCO)c1ccccc1)c1ccc(OC)cc1 ZINC000160769387 522942805 /nfs/dbraw/zinc/94/28/05/522942805.db2.gz MSPKJQSBAOLLOI-WOJBJXKFSA-N 1 0 313.441 4.250 20 70 DIIDRO Cc1ccc(C[NH2+][C@H](C)[C@@H](C)c2nc3ccccc3s2)cn1 ZINC000161294053 524603120 /nfs/dbraw/zinc/60/31/20/524603120.db2.gz QZFXXMKIJHHHIR-ZIAGYGMSSA-N 1 0 311.454 4.282 20 70 DIIDRO Cc1cccc([C@@H](C)[NH2+][C@@H](CN2CCCC2=O)c2ccccc2)c1 ZINC000160777655 524830498 /nfs/dbraw/zinc/83/04/98/524830498.db2.gz JRROUGQXKKVISR-XLIONFOSSA-N 1 0 322.452 4.009 20 70 DIIDRO Cc1cccc([C@@H](C)[NH2+][C@H](CN2CCCC2=O)c2ccccc2)c1 ZINC000160777882 524831140 /nfs/dbraw/zinc/83/11/40/524831140.db2.gz JRROUGQXKKVISR-YLJYHZDGSA-N 1 0 322.452 4.009 20 70 DIIDRO Cc1cccc([C@H](C)[NH2+][C@@H](CN2CCCC2=O)c2ccccc2)c1 ZINC000160777766 524874502 /nfs/dbraw/zinc/87/45/02/524874502.db2.gz JRROUGQXKKVISR-PXNSSMCTSA-N 1 0 322.452 4.009 20 70 DIIDRO Cc1ccccc1C[C@H](C)[NH2+][C@H](C)c1ccc([S@](C)=O)cc1 ZINC000160765369 525197983 /nfs/dbraw/zinc/19/79/83/525197983.db2.gz YYYNNODXYSUIHS-WJONJSRFSA-N 1 0 315.482 4.014 20 70 DIIDRO C[C@H]([NH2+]Cc1ccc(N2CCCCCC2)nc1)c1cccs1 ZINC000160530036 525446104 /nfs/dbraw/zinc/44/61/04/525446104.db2.gz VNTDMIBLHCEUPN-HNNXBMFYSA-N 1 0 315.486 4.374 20 70 DIIDRO Cc1ccc([C@@H](C)[NH2+][C@H](CN2CCCC2=O)c2ccccc2)cc1 ZINC000160774989 525747770 /nfs/dbraw/zinc/74/77/70/525747770.db2.gz XLSFDJYBDLBGIV-YLJYHZDGSA-N 1 0 322.452 4.009 20 70 DIIDRO Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]C[C@H](CO)c1ccccc1 ZINC000161442299 526676874 /nfs/dbraw/zinc/67/68/74/526676874.db2.gz OZMAHZZFCOLDLH-CZUORRHYSA-N 1 0 318.486 4.002 20 70 DIIDRO Cc1ncc([C@@H](C)[NH2+][C@@H]2CCSc3ccc(F)cc32)c(C)n1 ZINC000159431969 527307167 /nfs/dbraw/zinc/30/71/67/527307167.db2.gz LRRZQBRLMYWCSL-BDJLRTHQSA-N 1 0 317.433 4.120 20 70 DIIDRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]CCC(C)(C)O ZINC000159834391 332713886 /nfs/dbraw/zinc/71/38/86/332713886.db2.gz CTSSWLCJEKFDQY-LLVKDONJSA-N 1 0 322.449 4.069 20 70 DIIDRO CCOc1ccc(Cl)cc1CC[NH2+][C@H](C)c1cccnc1 ZINC000160006637 332745087 /nfs/dbraw/zinc/74/50/87/332745087.db2.gz NJVHFRKUHXWKHJ-CYBMUJFWSA-N 1 0 304.821 4.027 20 70 DIIDRO CCOc1ccccc1[C@@H](C)[NH2+]Cc1ccc(OC(C)C)nc1 ZINC000160094887 332761136 /nfs/dbraw/zinc/76/11/36/332761136.db2.gz YKFJUALRFRAVMX-OAHLLOKOSA-N 1 0 314.429 4.118 20 70 DIIDRO CC1(C)CCCC[C@H]1CC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000160953483 333695058 /nfs/dbraw/zinc/69/50/58/333695058.db2.gz UPEMMOZLNJZEFH-INIZCTEOSA-N 1 0 320.521 4.116 20 70 DIIDRO C[C@@H]([NH2+]CC(=O)N1[C@H](C)CCC[C@@H]1C)c1cccc2ccccc21 ZINC000216663340 337223844 /nfs/dbraw/zinc/22/38/44/337223844.db2.gz LYTJZXSOYGLTFT-IXDOHACOSA-N 1 0 324.468 4.280 20 70 DIIDRO C[C@@H]([NH2+]C[C@@H](Cc1ccccc1)c1ccccc1)c1cnccn1 ZINC000161244171 337575984 /nfs/dbraw/zinc/57/59/84/337575984.db2.gz FBNIHAQFNRZTOU-YLJYHZDGSA-N 1 0 317.436 4.154 20 70 DIIDRO CCOC(CC[NH2+][C@@H](C)c1ccc(Cl)cc1Cl)OCC ZINC000159532074 521629798 /nfs/dbraw/zinc/62/97/98/521629798.db2.gz CXTYQIFCKYTPPZ-NSHDSACASA-N 1 0 320.260 4.433 20 70 DIIDRO CCCOc1ccc([C@@H](C)[NH2+][C@H](C)c2ccco2)cc1OC ZINC000160005755 517591458 /nfs/dbraw/zinc/59/14/58/517591458.db2.gz IGWMNYHICGKAIL-ZIAGYGMSSA-N 1 0 303.402 4.489 20 70 DIIDRO CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H]1CCCSC1 ZINC000159552703 519845132 /nfs/dbraw/zinc/84/51/32/519845132.db2.gz CSKBZSYSUCYOTM-HUUCEWRRSA-N 1 0 320.502 4.012 20 70 DIIDRO CCCNC(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(C)s2)c1 ZINC000160560837 519903070 /nfs/dbraw/zinc/90/30/70/519903070.db2.gz LBHSANBPSNYUCL-AWEZNQCLSA-N 1 0 316.470 4.047 20 70 DIIDRO CCC[C@@H]([NH2+]CCCc1nc(C(C)C)no1)c1ccccc1 ZINC000160759515 520773496 /nfs/dbraw/zinc/77/34/96/520773496.db2.gz QIFQGBVEJFHQRE-MRXNPFEDSA-N 1 0 301.434 4.257 20 70 DIIDRO CCCCOc1cccc(C[NH2+][C@H](C)c2cnc(C)nc2C)c1 ZINC000160821838 520903426 /nfs/dbraw/zinc/90/34/26/520903426.db2.gz OVUPSAUWMWOWSJ-CQSZACIVSA-N 1 0 313.445 4.123 20 70 DIIDRO CCOc1ccc([C@H](C)[NH2+][C@@H](CCCO)c2ccccc2)cc1 ZINC000160894356 521259426 /nfs/dbraw/zinc/25/94/26/521259426.db2.gz JZNCJXBXVJDXIA-JXFKEZNVSA-N 1 0 313.441 4.250 20 70 DIIDRO CC[C@H]([NH2+]Cc1ccc(N2CCCC2)nc1)c1ccc(F)cc1 ZINC000160719992 522648280 /nfs/dbraw/zinc/64/82/80/522648280.db2.gz YJZVGAGGUOKEAV-SFHVURJKSA-N 1 0 313.420 4.062 20 70 DIIDRO COCCCC[N@H+](Cc1sc(C)nc1C)Cc1ccccc1 ZINC000159624965 523145220 /nfs/dbraw/zinc/14/52/20/523145220.db2.gz TWPJZFMZJIXLCS-UHFFFAOYSA-N 1 0 318.486 4.189 20 70 DIIDRO Cc1ccc(C[NH2+][C@@H](C)c2ccccc2OC(F)(F)F)cn1 ZINC000161269057 524593035 /nfs/dbraw/zinc/59/30/35/524593035.db2.gz ISKUYSKMEFZQTC-LBPRGKRZSA-N 1 0 310.319 4.139 20 70 DIIDRO C[C@@H]([NH2+]C1CCN(C)CC1)c1ccccc1OCc1ccccc1 ZINC000161447113 525400912 /nfs/dbraw/zinc/40/09/12/525400912.db2.gz WGRAOSSZNPDTLU-QGZVFWFLSA-N 1 0 324.468 4.010 20 70 DIIDRO C[C@H]([NH2+][C@@H]1CCCSC1)c1nc(-c2ccccc2)cs1 ZINC000159641610 525558278 /nfs/dbraw/zinc/55/82/78/525558278.db2.gz HLRMQMVLJBOGET-GXTWGEPZSA-N 1 0 304.484 4.356 20 70 DIIDRO Cc1c(C[NH2+][C@H](CCc2ccccc2)c2ccccc2)cnn1C ZINC000160455987 525726745 /nfs/dbraw/zinc/72/67/45/525726745.db2.gz HUSHUDJQVVDYTM-OAQYLSRUSA-N 1 0 319.452 4.192 20 70 DIIDRO Cc1ccc(-c2ncc(C[NH2+][C@@H]3CCOC(C)(C)C3)s2)cc1 ZINC000160499361 525830548 /nfs/dbraw/zinc/83/05/48/525830548.db2.gz ZKIFMSIQGCFYQK-OAHLLOKOSA-N 1 0 316.470 4.166 20 70 DIIDRO OCCC[C@@H]([NH2+][C@@H](Cc1ccccc1)C1CC1)c1ccccc1 ZINC000160688070 527542475 /nfs/dbraw/zinc/54/24/75/527542475.db2.gz ROUBFYCIHCZTBW-RTWAWAEBSA-N 1 0 309.453 4.111 20 70 DIIDRO CCCc1ccc([C@@H](C)[NH2+]Cc2cccc(C(=O)NCC)c2)cc1 ZINC000160177513 332771566 /nfs/dbraw/zinc/77/15/66/332771566.db2.gz DPOGDMQOQUCDHL-MRXNPFEDSA-N 1 0 324.468 4.240 20 70 DIIDRO CCCNC(=O)c1cccc(C[NH2+][C@@H](C)c2cc(C)cc(C)c2)c1 ZINC000160561106 332821994 /nfs/dbraw/zinc/82/19/94/332821994.db2.gz ARRDZKMFFGPGHX-KRWDZBQOSA-N 1 0 324.468 4.294 20 70 DIIDRO CCC[C@H]([NH2+]CC1(CCOCC)CCCC1)c1ccccn1 ZINC000159376457 332081415 /nfs/dbraw/zinc/08/14/15/332081415.db2.gz FWRQZWGDPJGGSI-KRWDZBQOSA-N 1 0 304.478 4.499 20 70 DIIDRO C[C@H]([NH2+][C@@H]1CCCSC1)[C@H](C)c1nc2ccccc2s1 ZINC000159585037 332674552 /nfs/dbraw/zinc/67/45/52/332674552.db2.gz KYLATXXCVNAZID-RWMBFGLXSA-N 1 0 306.500 4.274 20 70 DIIDRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)C2CCCCC2)cc1 ZINC000159650909 332683465 /nfs/dbraw/zinc/68/34/65/332683465.db2.gz QZWPMRUPEBNQAB-LSDHHAIUSA-N 1 0 323.502 4.100 20 70 DIIDRO C[C@H]([NH2+]CCSc1ccc(Cl)cc1)c1cncc(F)c1 ZINC000160080647 332755712 /nfs/dbraw/zinc/75/57/12/332755712.db2.gz KQLLAERLMLRGDK-NSHDSACASA-N 1 0 310.825 4.317 20 70 DIIDRO CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(C)cc2)c1 ZINC000161139687 333818855 /nfs/dbraw/zinc/81/88/55/333818855.db2.gz WCMRZNKNQZZBLL-IRXDYDNUSA-N 1 0 324.468 4.374 20 70 DIIDRO CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@H](C)c2ccc(C)cc2)c1 ZINC000161139816 333818979 /nfs/dbraw/zinc/81/89/79/333818979.db2.gz WCMRZNKNQZZBLL-IAGOWNOFSA-N 1 0 324.468 4.374 20 70 DIIDRO COc1cc([C@@H](C)[NH2+]CCc2ccc(Cl)s2)ccc1F ZINC000218236702 334168163 /nfs/dbraw/zinc/16/81/63/334168163.db2.gz MAUXHJUVALKQPF-SNVBAGLBSA-N 1 0 313.825 4.443 20 70 DIIDRO C[C@H]([NH2+]C[C@@H](Cc1ccccc1)c1ccccc1)c1cnccn1 ZINC000161244019 337575993 /nfs/dbraw/zinc/57/59/93/337575993.db2.gz FBNIHAQFNRZTOU-FXAWDEMLSA-N 1 0 317.436 4.154 20 70 DIIDRO CCCCCOc1ccc([C@@H](C)[NH2+]C2CCN(C)CC2)cc1 ZINC000161510109 337590345 /nfs/dbraw/zinc/59/03/45/337590345.db2.gz DGZUSYRZJPIXQW-MRXNPFEDSA-N 1 0 304.478 4.000 20 70 DIIDRO CC(C)C[C@H]([NH2+]Cc1ccc(OC(C)C)nc1)c1ccccn1 ZINC000160039170 519396202 /nfs/dbraw/zinc/39/62/02/519396202.db2.gz IKBMUGODJGZNBI-SFHVURJKSA-N 1 0 313.445 4.141 20 70 DIIDRO CC(C)[C@@H]([NH2+][C@H](C)c1ccco1)c1ccc2c(c1)OCCO2 ZINC000161036179 519799601 /nfs/dbraw/zinc/79/96/01/519799601.db2.gz UYHKYLPRWTXGTI-FZKQIMNGSA-N 1 0 301.386 4.099 20 70 DIIDRO CC(C)[C@H]([NH2+][C@H](C)c1ccco1)c1ccc2c(c1)OCCO2 ZINC000161036034 519821542 /nfs/dbraw/zinc/82/15/42/519821542.db2.gz UYHKYLPRWTXGTI-ACJLOTCBSA-N 1 0 301.386 4.099 20 70 DIIDRO CC1CCN(c2ccc(C[NH2+][C@H]3CCc4ccccc43)cn2)CC1 ZINC000160476193 521041687 /nfs/dbraw/zinc/04/16/87/521041687.db2.gz MAIUBNDJBMUEFD-FQEVSTJZSA-N 1 0 321.468 4.095 20 70 DIIDRO CCOc1cccc(C[NH2+][C@@H]2CCCc3nc(CC)sc32)c1 ZINC000159392066 521370296 /nfs/dbraw/zinc/37/02/96/521370296.db2.gz LXMHFMOQOSAHOI-OAHLLOKOSA-N 1 0 316.470 4.271 20 70 DIIDRO CCCn1nc(C)c(C[NH2+][C@@H]2CCCc3sccc32)c1C ZINC000160984941 521668483 /nfs/dbraw/zinc/66/84/83/521668483.db2.gz ADHFUXIIPIIFHT-MRXNPFEDSA-N 1 0 303.475 4.139 20 70 DIIDRO CCCn1nc(C)c(C[NH2+][C@H]2CCCc3sccc32)c1C ZINC000160985062 521669269 /nfs/dbraw/zinc/66/92/69/521669269.db2.gz ADHFUXIIPIIFHT-INIZCTEOSA-N 1 0 303.475 4.139 20 70 DIIDRO Cc1ccc(C[NH2+][C@H](C)c2ccccc2OC(F)(F)F)cn1 ZINC000161269158 524605580 /nfs/dbraw/zinc/60/55/80/524605580.db2.gz ISKUYSKMEFZQTC-GFCCVEGCSA-N 1 0 310.319 4.139 20 70 DIIDRO Cc1ccccc1[C@@H](C)[NH2+][C@H](CN1CCCC1=O)c1ccccc1 ZINC000160742468 525361839 /nfs/dbraw/zinc/36/18/39/525361839.db2.gz CBZNYQDDMCQUQD-YLJYHZDGSA-N 1 0 322.452 4.009 20 70 DIIDRO C[C@H]([NH2+][C@@H](CCCO)c1ccccc1)c1cc(F)cc(F)c1 ZINC000160805390 525539967 /nfs/dbraw/zinc/53/99/67/525539967.db2.gz GVGXNJSAMUIOHB-UGSOOPFHSA-N 1 0 305.368 4.129 20 70 DIIDRO COc1ccc2c(c1)[C@H]([NH2+]CCCCc1nc(C)cs1)CC2 ZINC000160658978 525586752 /nfs/dbraw/zinc/58/67/52/525586752.db2.gz PZUAZUZWJHHLEH-QGZVFWFLSA-N 1 0 316.470 4.060 20 70 DIIDRO C[C@@H]([NH2+][C@H](CCCO)c1ccccc1)c1cc(F)cc(F)c1 ZINC000160805735 525667645 /nfs/dbraw/zinc/66/76/45/525667645.db2.gz GVGXNJSAMUIOHB-FZKQIMNGSA-N 1 0 305.368 4.129 20 70 DIIDRO C[C@@H]([NH2+][C@H]1CCCSC1)c1nc(-c2ccccc2)cs1 ZINC000159642010 525680038 /nfs/dbraw/zinc/68/00/38/525680038.db2.gz HLRMQMVLJBOGET-OCCSQVGLSA-N 1 0 304.484 4.356 20 70 DIIDRO C[C@@H]([NH2+][C@H]1CCOC(C)(C)C1)c1ccccc1C(F)(F)F ZINC000159939487 525683503 /nfs/dbraw/zinc/68/35/03/525683503.db2.gz HRJWAWOVOCSNFJ-NEPJUHHUSA-N 1 0 301.352 4.314 20 70 DIIDRO Cc1ccc([C@@H](C)[NH2+][C@@H](CN2CCCC2=O)c2ccccc2)cc1 ZINC000160774732 525742109 /nfs/dbraw/zinc/74/21/09/525742109.db2.gz XLSFDJYBDLBGIV-XLIONFOSSA-N 1 0 322.452 4.009 20 70 DIIDRO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+][C@H]1CCCSC1 ZINC000159600544 526612400 /nfs/dbraw/zinc/61/24/00/526612400.db2.gz TWEHDXRMZUMEHQ-RISCZKNCSA-N 1 0 319.499 4.060 20 70 DIIDRO C[C@H]([NH2+]CC1(Sc2ccccc2)CCCC1)[C@H]1CCOC1 ZINC000160351219 332785397 /nfs/dbraw/zinc/78/53/97/332785397.db2.gz LARFTHACSUTMIA-HOTGVXAUSA-N 1 0 305.487 4.106 20 70 DIIDRO CCC[C@H]([NH2+]C[C@@H](C[C@@H](C)O)c1ccccc1)c1ccccn1 ZINC000159373655 332081238 /nfs/dbraw/zinc/08/12/38/332081238.db2.gz OCCRIHFZCOEOKK-QRQLOZEOSA-N 1 0 312.457 4.067 20 70 DIIDRO Cc1ccc(OC(F)F)c([C@H](C)[NH2+][C@H]2CCCSC2)c1 ZINC000159551600 332658377 /nfs/dbraw/zinc/65/83/77/332658377.db2.gz OHNSSWUEZNVAQW-RYUDHWBXSA-N 1 0 301.402 4.143 20 70 DIIDRO C[C@H](NC1CC(C)(C)[NH2+]C(C)(C)C1)c1cc(F)c(F)c(F)c1 ZINC000159609933 332678321 /nfs/dbraw/zinc/67/83/21/332678321.db2.gz SXKVPIBBZYRNPY-JTQLQIEISA-N 1 0 314.395 4.064 20 70 DIIDRO C[C@H]([NH2+]CCO)c1ccc(-c2ccc(C(F)(F)F)cc2)s1 ZINC000159688481 332690410 /nfs/dbraw/zinc/69/04/10/332690410.db2.gz UKDQLNMPRMOWCU-JTQLQIEISA-N 1 0 315.360 4.077 20 70 DIIDRO C[C@@H]([NH2+]CCO)c1ccc(-c2ccc(C(F)(F)F)cc2)s1 ZINC000159688620 332690479 /nfs/dbraw/zinc/69/04/79/332690479.db2.gz UKDQLNMPRMOWCU-SNVBAGLBSA-N 1 0 315.360 4.077 20 70 DIIDRO CCOc1ccc(Cl)cc1CC[NH2+][C@@H](C)c1ccncc1 ZINC000160008782 332745192 /nfs/dbraw/zinc/74/51/92/332745192.db2.gz LSHLWQJFGIWLBE-ZDUSSCGKSA-N 1 0 304.821 4.027 20 70 DIIDRO CC(C)C[C@H](C)Oc1cc(C[NH2+][C@H](C)c2cncs2)ccn1 ZINC000160812841 333667280 /nfs/dbraw/zinc/66/72/80/333667280.db2.gz DTPVYPJYNVJYOW-UONOGXRCSA-N 1 0 319.474 4.202 20 70 DIIDRO COc1cc(C)c(C[NH2+][C@H]2CCCc3sccc32)cc1OC ZINC000160967570 333719055 /nfs/dbraw/zinc/71/90/55/333719055.db2.gz LMEKPLKOJJZYIA-HNNXBMFYSA-N 1 0 317.454 4.241 20 70 DIIDRO COc1ccc([C@@H](C)[NH2+][C@H](CCO)c2ccccc2)cc1Cl ZINC000160990493 333769788 /nfs/dbraw/zinc/76/97/88/333769788.db2.gz SUXIXHPSVWJZLX-CXAGYDPISA-N 1 0 319.832 4.123 20 70 DIIDRO CCN(Cc1cccs1)[C@H](C)C(=O)N(CC)c1ccccc1 ZINC000216681367 336396904 /nfs/dbraw/zinc/39/69/04/336396904.db2.gz FQFNYQRKOVEQJS-OAHLLOKOSA-N 1 0 316.470 4.012 20 70 DIIDRO CCC(CC)[C@H]([NH2+]C1CCC(NC(C)=O)CC1)c1ccccc1 ZINC000161335611 337581655 /nfs/dbraw/zinc/58/16/55/337581655.db2.gz AXERCNYNNPCOJD-MHJFOBGBSA-N 1 0 316.489 4.201 20 70 DIIDRO Cc1ccc(-c2noc([C@H](C)[NH2+][C@@H]3CCCC[C@@H]3C)n2)cc1F ZINC000218716539 337964473 /nfs/dbraw/zinc/96/44/73/337964473.db2.gz BNXHIUCACQJDBD-HEHGZKQESA-N 1 0 317.408 4.413 20 70 DIIDRO CC(C)[C@H]([NH2+][C@@H](C)c1ccco1)c1ccc2c(c1)OCCO2 ZINC000161035806 519821345 /nfs/dbraw/zinc/82/13/45/519821345.db2.gz UYHKYLPRWTXGTI-UGSOOPFHSA-N 1 0 301.386 4.099 20 70 DIIDRO CCNC(=O)c1cccc(C[NH2+][C@H]2CC[C@@H](C)c3ccccc32)c1 ZINC000160190362 519899731 /nfs/dbraw/zinc/89/97/31/519899731.db2.gz XWDLTUOTMCCHRP-QRWLVFNGSA-N 1 0 322.452 4.165 20 70 DIIDRO CCc1nc(C)c([C@@H](C)NC2CC[NH+](C3CCCC3)CC2)s1 ZINC000160459994 522220965 /nfs/dbraw/zinc/22/09/65/522220965.db2.gz KLMJWNLJAWVXKZ-CYBMUJFWSA-N 1 0 321.534 4.072 20 70 DIIDRO CC[C@@H]([NH2+]Cc1ccc(N2CCCC2)nc1)c1ccc(F)cc1 ZINC000160720131 522878673 /nfs/dbraw/zinc/87/86/73/522878673.db2.gz YJZVGAGGUOKEAV-GOSISDBHSA-N 1 0 313.420 4.062 20 70 DIIDRO Cc1ccc(C[NH2+][C@H](C)c2cccc(OC(F)(F)F)c2)cn1 ZINC000161322989 524605951 /nfs/dbraw/zinc/60/59/51/524605951.db2.gz MJVFUUMLIBWXBE-GFCCVEGCSA-N 1 0 310.319 4.139 20 70 DIIDRO Cc1cccc([C@H](C)[NH2+][C@H](CN2CCCC2=O)c2ccccc2)c1 ZINC000160778010 524877863 /nfs/dbraw/zinc/87/78/63/524877863.db2.gz JRROUGQXKKVISR-FXAWDEMLSA-N 1 0 322.452 4.009 20 70 DIIDRO Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]Cc2ccc(C)nc2)c1 ZINC000161267150 525371428 /nfs/dbraw/zinc/37/14/28/525371428.db2.gz XUVUNCUPWUKCAB-CYBMUJFWSA-N 1 0 306.356 4.151 20 70 DIIDRO Cc1ccc(OC(F)F)c([C@H](C)[NH2+]Cc2ccc(C)nc2)c1 ZINC000161267258 525372462 /nfs/dbraw/zinc/37/24/62/525372462.db2.gz XUVUNCUPWUKCAB-ZDUSSCGKSA-N 1 0 306.356 4.151 20 70 DIIDRO C[C@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1ccccc1C(F)(F)F ZINC000159939109 525569866 /nfs/dbraw/zinc/56/98/66/525569866.db2.gz HRJWAWOVOCSNFJ-NWDGAFQWSA-N 1 0 301.352 4.314 20 70 DIIDRO C[C@@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1ccccc1C(F)(F)F ZINC000159939216 525642844 /nfs/dbraw/zinc/64/28/44/525642844.db2.gz HRJWAWOVOCSNFJ-VXGBXAGGSA-N 1 0 301.352 4.314 20 70 DIIDRO Cc1ncc([C@H](C)[NH2+][C@H](C)c2ccc3c(c2)CCCC3)c(C)n1 ZINC000160294518 527310214 /nfs/dbraw/zinc/31/02/14/527310214.db2.gz ALWJFAYBIUKNCQ-KGLIPLIRSA-N 1 0 309.457 4.384 20 70 DIIDRO