smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Clc1ccc([C@H](Oc2ccccc2)C2C[NH2+]C2)cc1Cl ZINC000095554493 185379669 /nfs/dbraw/zinc/37/96/69/185379669.db2.gz AUFQHHZWHFPPAA-INIZCTEOSA-N 1 0 308.208 4.333 1 0 DIAFRO C[NH2+][C@H](Cc1ccc2c(c1)OCO2)c1ccc2ccccc2c1 ZINC000169326703 197741499 /nfs/dbraw/zinc/74/14/99/197741499.db2.gz YPZQJHYLLSVSQE-GOSISDBHSA-N 1 0 305.377 4.072 1 0 DIAFRO Clc1ccc(-c2nc(C[NH2+][C@H]3C[C@H]4CC[C@@H]3C4)co2)cc1 ZINC000072100905 191037167 /nfs/dbraw/zinc/03/71/67/191037167.db2.gz AKDFDVCGXYEKST-GHJWDPDVSA-N 1 0 302.805 4.273 1 0 DIAFRO C[C@@H]1CCC[C@@H]([NH2+]Cc2coc(-c3cccc(F)c3)n2)[C@@H]1C ZINC000072185402 191073524 /nfs/dbraw/zinc/07/35/24/191073524.db2.gz WHJHXMHDRVHNNE-PBFPGSCMSA-N 1 0 302.393 4.395 1 0 DIAFRO FC[C@@H]1OC2(CC[NH+](Cc3ccccc3)CC2)c2ccccc21 ZINC000073169958 191288470 /nfs/dbraw/zinc/28/84/70/191288470.db2.gz XTXVTJGNOBELJF-IBGZPJMESA-N 1 0 311.400 4.219 1 0 DIAFRO COc1ccc([C@@H]2C[C@H]3c4ccccc4[C@@H]2C[C@]32CC[NH2+]C2)cc1 ZINC000003801521 181046150 /nfs/dbraw/zinc/04/61/50/181046150.db2.gz JLIFFLDQRBGIFR-CMOCDZPBSA-N 1 0 319.448 4.433 1 0 DIAFRO C[C@@H]1Cc2c3ccccc3[nH]c2Cc2ccccc2CC[N@@H+]1C ZINC000073198604 191291351 /nfs/dbraw/zinc/29/13/51/191291351.db2.gz WQPRXYGVHKQNOH-OAHLLOKOSA-N 1 0 304.437 4.178 1 0 DIAFRO C[N@H+]1[C@@H]2CC[C@H]1CC(O[C@@H](c1ccccc1)c1ccccc1N)C2 ZINC000003871516 181050547 /nfs/dbraw/zinc/05/05/47/181050547.db2.gz KZFDKINRISJFCO-APZTZJSISA-N 1 0 322.452 4.000 3 0 in-vitro DIAFRO Cc1cc(C(c2ccc(N)cc2C)=C2C=CC(=[NH2+])C=C2)ccc1N ZINC000004215189 181085499 /nfs/dbraw/zinc/08/54/99/181085499.db2.gz JLHILGOJUWNZLZ-UHFFFAOYSA-N 1 0 315.420 4.416 1 0 in-man DIAFRO FC(F)(F)c1cccc(N2CC[NH+]([C@H]3C[C@H]4CC[C@@H]3C4)CC2)c1 ZINC000004981198 181183472 /nfs/dbraw/zinc/18/34/72/181183472.db2.gz CFWJZVAHHGUKAG-VBQJREDUSA-N 1 0 324.390 4.016 1 0 DIAFRO CCC[NH2+]C[C@H](O)c1oc2ccccc2c1CCc1ccccc1 ZINC000005834754 181287455 /nfs/dbraw/zinc/28/74/55/181287455.db2.gz XPEXCFSBFPOSQR-IBGZPJMESA-N 1 0 323.436 4.251 1 0 DIAFRO C[C@@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CC[N@@H+]2Cc1ccccc1 ZINC000006031889 181307185 /nfs/dbraw/zinc/30/71/85/181307185.db2.gz RPMPAQXGZYLEST-IPHXSNPTSA-N 1 0 307.437 4.117 1 0 DIAFRO CCN(CC[NH+](C)C)c1cc(-c2ccccc2)nc2ccccc21 ZINC000006384884 181336672 /nfs/dbraw/zinc/33/66/72/181336672.db2.gz YUEQHPHHBINHIQ-UHFFFAOYSA-N 1 0 319.452 4.290 1 0 DIAFRO O[C@H]1CCCc2[nH+]c3ccccc3c(NCc3cccs3)c21 ZINC000014946520 181977192 /nfs/dbraw/zinc/97/71/92/181977192.db2.gz HVYUZYLNNWIMHS-INIZCTEOSA-N 1 0 310.422 4.278 1 0 DIAFRO C[C@@H](c1ccccc1)N1CC[C@H]1[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000022941595 182343066 /nfs/dbraw/zinc/34/30/66/182343066.db2.gz PNEZFQDSJJGXSD-KKXDTOCCSA-N 1 0 300.833 4.175 1 0 DIAFRO c1c(-c2ccc(Oc3ccccc3)cc2)n[nH]c1C1CC[NH2+]CC1 ZINC000027202412 182465468 /nfs/dbraw/zinc/46/54/68/182465468.db2.gz ZUDFSSWEJQXWDE-UHFFFAOYSA-N 1 0 319.408 4.336 1 0 DIAFRO C[NH+](C)[C@@H]1CC[C@H](c2c[nH]c3c2cccc3Br)C1 ZINC000038881685 183012409 /nfs/dbraw/zinc/01/24/09/183012409.db2.gz RRSSQIMFGRNMAA-WDEREUQCSA-N 1 0 307.235 4.128 1 0 DIAFRO c1ccc(-c2cc3ccncc3cc2O[C@H]2CCC[NH2+]C2)cc1 ZINC000040379979 183057996 /nfs/dbraw/zinc/05/79/96/183057996.db2.gz QRYICOPVFJOJAO-SFHVURJKSA-N 1 0 304.393 4.033 1 0 DIAFRO C[C@H]1CCC[C@]23CC[N@H+](CC4CC4)[C@H](Cc4ccc(O)cc42)[C@H]13 ZINC000040461426 183070652 /nfs/dbraw/zinc/07/06/52/183070652.db2.gz UBRYDTCPLSXNKT-MGNXDGSBSA-N 1 0 311.469 4.107 1 0 DIAFRO CC[C@H]1[C@H](C)CC[C@]23CC[N@H+](C)[C@H](Cc4ccc(OC)cc42)[C@@H]13 ZINC000040709452 183120763 /nfs/dbraw/zinc/12/07/63/183120763.db2.gz WUTXTDJQZMUNAE-FHBRLQHDSA-N 1 0 313.485 4.266 1 0 DIAFRO COc1ccc(C[NH2+][C@H](C)Cc2ccc(SC)cc2)cc1 ZINC000040860380 183144030 /nfs/dbraw/zinc/14/40/30/183144030.db2.gz OVFUJYFUTXFFBR-CQSZACIVSA-N 1 0 301.455 4.138 1 0 DIAFRO Fc1ccccc1CN(c1ccc2[nH]ccc2c1)C1CC[NH2+]CC1 ZINC000043060045 183333148 /nfs/dbraw/zinc/33/31/48/183333148.db2.gz WOINXFXWLFAPBG-UHFFFAOYSA-N 1 0 323.415 4.066 1 0 DIAFRO CCC1=C[C@@H]2Cc3[nH+]c4cc(OC)c(OC)cc4c(N)c3[C@H](C1)C2 ZINC000045285512 183494252 /nfs/dbraw/zinc/49/42/52/183494252.db2.gz CCSDPCGLZHBBMS-QWHCGFSZSA-N 1 0 324.424 4.220 1 0 DIAFRO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2/C=C/c1ccccc1 ZINC000058502030 184120774 /nfs/dbraw/zinc/12/07/74/184120774.db2.gz LBGASCXEDHLYEH-KAWBUVPWSA-N 1 0 304.437 4.274 1 0 DIAFRO CC(=O)c1ccc(Nc2nc([C@H]([NH3+])CC(C)C)cs2)cc1 ZINC000061902357 184193787 /nfs/dbraw/zinc/19/37/87/184193787.db2.gz MIDDMXSMFFCWBY-CQSZACIVSA-N 1 0 303.431 4.135 3 0 DIAFRO CC(C)[N@@H+]1CC[C@@](C)(C(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000061905736 184193936 /nfs/dbraw/zinc/19/39/36/184193936.db2.gz BFQXKMARNDQZRP-OAHLLOKOSA-N 1 0 315.244 4.052 3 0 DIAFRO CSc1ccc(C[N@@H+]2CC[C@@](C)(Oc3ccccc3)C2)cc1 ZINC000061925687 184195679 /nfs/dbraw/zinc/19/56/79/184195679.db2.gz BVXODFZMSNMCCZ-LJQANCHMSA-N 1 0 313.466 4.452 3 0 DIAFRO C[NH+](C)[C@H]1CC[C@H](c2c[nH]c3ccc(Br)cc32)C1 ZINC000064446743 184296953 /nfs/dbraw/zinc/29/69/53/184296953.db2.gz IOVINFXTGPGPQP-JQWIXIFHSA-N 1 0 307.235 4.128 1 0 DIAFRO Nc1[nH]c(-c2ccc(Cl)cc2)c(-c2cc(F)cc(F)c2)[nH+]1 ZINC000066112249 184390468 /nfs/dbraw/zinc/39/04/68/184390468.db2.gz JVXQQSHNIIPJOK-UHFFFAOYSA-N 1 0 305.715 4.258 1 0 DIAFRO c1ccc(CNc2cc[nH+]c(N3CCc4ccccc4C3)c2)cc1 ZINC000013488076 134513203 /nfs/dbraw/zinc/51/32/03/134513203.db2.gz DJOSDAVAKRFGJX-UHFFFAOYSA-N 1 0 315.420 4.256 1 0 DIAFRO CCC[N@H+](CCc1cccs1)[C@H]1CCc2ccc(O)cc2C1 ZINC000013759817 581094236 /nfs/dbraw/zinc/09/42/36/581094236.db2.gz FKPNKWMJMHRBGE-KRWDZBQOSA-N 1 0 315.482 4.266 1 0 DIAFRO CCC[C@H]([NH3+])c1ccc2sc(-c3ccnc(N)n3)c(C)c2c1 ZINC000049036465 581097014 /nfs/dbraw/zinc/09/70/14/581097014.db2.gz POPPTVCPKRFFPU-ZDUSSCGKSA-N 1 0 312.442 4.049 1 0 DIAFRO C[C@]12CC[C@H]3[C@@H](CC=C4CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2[C@H]1C[NH2+]1 ZINC000095555673 185379689 /nfs/dbraw/zinc/37/96/89/185379689.db2.gz IRGXYIWQWVWOAI-WYLBFHJUSA-N 1 0 313.485 4.106 1 0 DIAFRO Cc1ccc(Sc2ccc(Cl)cc2)c(N2CC[NH2+]CC2)c1 ZINC000095561409 185380069 /nfs/dbraw/zinc/38/00/69/185380069.db2.gz WTRJSQBNDURZJN-UHFFFAOYSA-N 1 0 318.873 4.209 1 0 DIAFRO Cc1ccc(Cc2cc[n+](C)c(COc3ccc(C)cc3)c2)cc1 ZINC000095581383 185381281 /nfs/dbraw/zinc/38/12/81/185381281.db2.gz VDNDCWISAWQFKI-UHFFFAOYSA-N 1 0 318.440 4.298 1 0 DIAFRO Fc1cc(Cl)ccc1O[C@@H](c1ccccc1)[C@H]1CC[NH2+]C1 ZINC000095585911 185381591 /nfs/dbraw/zinc/38/15/91/185381591.db2.gz QFQJPPPPEDIVLD-GUYCJALGSA-N 1 0 305.780 4.209 1 0 DIAFRO COc1cccc(-c2cccc([C@@]3(C)NC(=[NH2+])CCS3)c2)c1 ZINC000096906018 185390841 /nfs/dbraw/zinc/39/08/41/185390841.db2.gz CCSFGKCXOLFWQZ-SFHVURJKSA-N 1 0 312.438 4.029 1 0 DIAFRO CSC[C@H](c1ccc(Cl)c(Cl)c1)C1CC[NH2+]CC1 ZINC000096914789 185391129 /nfs/dbraw/zinc/39/11/29/185391129.db2.gz MCCAWZYTZTWQBW-LBPRGKRZSA-N 1 0 304.286 4.440 1 0 DIAFRO CCOC[C@@H](c1ccc(Cl)c(Cl)c1)C1CC[NH2+]CC1 ZINC000096914820 185391266 /nfs/dbraw/zinc/39/12/66/185391266.db2.gz ODBMZGNVEYOUNY-CYBMUJFWSA-N 1 0 302.245 4.113 1 0 DIAFRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](O[C@@H](c1ccccc1)c1ccc(O)cc1)C2 ZINC000103267917 185443066 /nfs/dbraw/zinc/44/30/66/185443066.db2.gz TVHYKAAFLUFNOM-ZSXPUABSSA-N 1 0 323.436 4.123 1 0 DIAFRO CC[C@H](C)[C@H]([NH3+])c1nc2ccccc2n1Cc1cccc(F)c1 ZINC000072118854 191038602 /nfs/dbraw/zinc/03/86/02/191038602.db2.gz MUHVFGNVDLXJFQ-UGSOOPFHSA-N 1 0 311.404 4.270 1 0 DIAFRO CCOc1ccc(-c2nc(C[NH2+][C@H]3C[C@H]4CC[C@@H]3C4)co2)cc1 ZINC000072182009 191071714 /nfs/dbraw/zinc/07/17/14/191071714.db2.gz GAHNURYBPQVKOK-JOQOYGCGSA-N 1 0 312.413 4.019 1 0 DIAFRO CC(C)(C)C[NH2+]Cc1coc(-c2ccccc2Br)n1 ZINC000072182929 191071889 /nfs/dbraw/zinc/07/18/89/191071889.db2.gz YJGSTDLXLCSANB-UHFFFAOYSA-N 1 0 323.234 4.240 1 0 DIAFRO CCOc1ccccc1-c1nc(C[NH2+][C@@H](C)C(C)(C)C)co1 ZINC000072186582 191073228 /nfs/dbraw/zinc/07/32/28/191073228.db2.gz PDZKMQOECMCDEG-ZDUSSCGKSA-N 1 0 302.418 4.265 1 0 DIAFRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2coc(-c3ccccc3Cl)n2)C1 ZINC000072186507 191073453 /nfs/dbraw/zinc/07/34/53/191073453.db2.gz AFVOKBUVGYWYNK-BETUJISGSA-N 1 0 304.821 4.473 1 0 DIAFRO Cc1[nH+]c(Nc2ccc(Br)cc2)c(C)c(C)c1O ZINC000143839767 186034283 /nfs/dbraw/zinc/03/42/83/186034283.db2.gz RFTGBQFWOJEPCW-UHFFFAOYSA-N 1 0 307.191 4.219 1 0 DIAFRO O[C@@H]1C[C@@H]2CCCC[C@H]2C[C@H]1[NH+]1CCC(c2ccccc2)CC1 ZINC000084758714 192467458 /nfs/dbraw/zinc/46/74/58/192467458.db2.gz KBAUXYUOKBLCFC-UWHLTILDSA-N 1 0 313.485 4.196 1 0 DIAFRO Cc1noc(C)c1-c1nc2ccccc2c(Nc2cc[nH+]cc2)n1 ZINC000004258487 181089551 /nfs/dbraw/zinc/08/95/51/181089551.db2.gz LFMPKDUDFHIAFQ-UHFFFAOYSA-N 1 0 317.352 4.040 1 0 DIAFRO CC(C)=CC[N@@H+]1[C@H](C)Cn2c(=S)[nH]c3cccc(c32)[C@H]1C ZINC000004632499 181130877 /nfs/dbraw/zinc/13/08/77/181130877.db2.gz YTUOQDQWCBEQIZ-CHWSQXEVSA-N 1 0 301.459 4.430 1 0 DIAFRO O[C@@]1(c2ccccc2)CC[N@H+](Cc2ccccc2)[C@H]2CCCC[C@@H]21 ZINC000005008148 181189728 /nfs/dbraw/zinc/18/97/28/181189728.db2.gz BIWOHGQOCMGKSL-FDFHNCONSA-N 1 0 321.464 4.339 1 0 DIAFRO Clc1ccccc1O[C@@H](c1ccccc1)C1CC[NH2+]CC1 ZINC000013530831 181858491 /nfs/dbraw/zinc/85/84/91/181858491.db2.gz TZHLJHGNWLZCFX-SFHVURJKSA-N 1 0 301.817 4.460 1 0 DIAFRO C[C@H](c1ccccc1)N1CC[C@H]1[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000022941593 182343697 /nfs/dbraw/zinc/34/36/97/182343697.db2.gz PNEZFQDSJJGXSD-BVGQSLNGSA-N 1 0 300.833 4.175 1 0 DIAFRO C[NH+](C)C[C@@H](c1cccc(C(F)(F)F)c1)C1(O)CCCCC1 ZINC000026735989 182451968 /nfs/dbraw/zinc/45/19/68/182451968.db2.gz YUTGLCAFRPAGFA-HNNXBMFYSA-N 1 0 315.379 4.046 1 0 in-vitro DIAFRO COc1cc2c(c(OC)c1)C[N@H+](Cc1ccccc1)C(C)(C)C2 ZINC000038690848 183006197 /nfs/dbraw/zinc/00/61/97/183006197.db2.gz QOXMWGCWWYHZNW-UHFFFAOYSA-N 1 0 311.425 4.041 1 0 DIAFRO C[NH+](C)[C@@H]1CCc2[nH]c3c(cccc3OCc3ccccc3)c2C1 ZINC000039214035 183014743 /nfs/dbraw/zinc/01/47/43/183014743.db2.gz HCBHALNEMYZLFH-MRXNPFEDSA-N 1 0 320.436 4.166 1 0 DIAFRO CCC[C@H]1CCC[C@]23CC[N@H+](C)[C@H](Cc4ccc(OC)cc42)[C@H]13 ZINC000040461349 183071214 /nfs/dbraw/zinc/07/12/14/183071214.db2.gz VKBJNKLLZGIUAS-ZFCZOSEKSA-N 1 0 313.485 4.410 1 0 DIAFRO COc1cc2cc(C)[n+](-c3c(C)cccc3C)c(C)c2c(OC)c1 ZINC000040933436 183148721 /nfs/dbraw/zinc/14/87/21/183148721.db2.gz KLZOOZYPJSBUQI-UHFFFAOYSA-N 1 0 322.428 4.367 1 0 DIAFRO c1ccc(-c2cc3ccncc3cc2OCC2CC[NH2+]CC2)cc1 ZINC000040940481 183149899 /nfs/dbraw/zinc/14/98/99/183149899.db2.gz HVZZXNMTJQUHLM-UHFFFAOYSA-N 1 0 318.420 4.280 1 0 DIAFRO CCCCCCOc1ccc(C(=O)CC[NH+](C)C)cc1Cl ZINC000043065662 183333611 /nfs/dbraw/zinc/33/36/11/183333611.db2.gz ARFBKZGQYAEHAM-UHFFFAOYSA-N 1 0 311.853 4.434 1 0 DIAFRO Fc1ccc(-c2cc([C@H]3C[C@@H]4CC[C@H]3[NH2+]4)cnc2Cl)cc1 ZINC000049115607 183713944 /nfs/dbraw/zinc/71/39/44/183713944.db2.gz CAEIKDBFHUUTFJ-SQWLQELKSA-N 1 0 302.780 4.149 1 0 DIAFRO O[C@@H]1C[C@@H]2CCCC[C@H]2C[C@@H]1[NH+]1CCC(c2ccccc2)CC1 ZINC000058485862 184120603 /nfs/dbraw/zinc/12/06/03/184120603.db2.gz KBAUXYUOKBLCFC-XSDIEEQYSA-N 1 0 313.485 4.196 1 0 DIAFRO CC(=O)c1ccc(Nc2nc([C@@H]([NH3+])CC(C)C)cs2)cc1 ZINC000061902355 184193523 /nfs/dbraw/zinc/19/35/23/184193523.db2.gz MIDDMXSMFFCWBY-AWEZNQCLSA-N 1 0 303.431 4.135 3 0 DIAFRO [NH2+]=c1oc(/C=C/c2ccccc2)nc2sc3c(c21)CCCC3 ZINC000066259852 184399247 /nfs/dbraw/zinc/39/92/47/184399247.db2.gz KJJLXWXGSIPOHW-YMACEDOOSA-N 1 0 308.406 4.418 1 0 DIAFRO c1ccc2oc(Oc3ccc(OCC[NH+]4CCCC4)cc3)nc2c1 ZINC000040934254 581092075 /nfs/dbraw/zinc/09/20/75/581092075.db2.gz NNHHNGXLAAEJGV-UHFFFAOYSA-N 1 0 324.380 4.095 1 0 DIAFRO C[C@@H](CCn1c(=O)cc(-c2ccccc2)c2ccccc21)[NH+](C)C ZINC000095585953 185381417 /nfs/dbraw/zinc/38/14/17/185381417.db2.gz YUFLLQAHVLBWMC-INIZCTEOSA-N 1 0 320.436 4.009 1 0 DIAFRO C[C@H]1Cc2c3ccccc3[nH]c2Cc2ccccc2CC[N@@H+]1C ZINC000082152216 192361963 /nfs/dbraw/zinc/36/19/63/192361963.db2.gz WQPRXYGVHKQNOH-HNNXBMFYSA-N 1 0 304.437 4.178 1 0 DIAFRO CC/C=C/c1ccnc2c(N[C@@H](C)CCC[NH3+])cc(OC)cc12 ZINC000169328112 197742226 /nfs/dbraw/zinc/74/22/26/197742226.db2.gz ZLJAOEAMVIMGIM-GPAKFWEMSA-N 1 0 313.445 4.206 1 0 DIAFRO CNc1cc2c(cc1F)nc(Oc1ccccc1C)c1c[nH+]cn12 ZINC000073163411 191286878 /nfs/dbraw/zinc/28/68/78/191286878.db2.gz NRXDTXPNUZKPNI-UHFFFAOYSA-N 1 0 322.343 4.164 1 0 DIAFRO CNc1ccc2nc(Nc3cc(F)ccc3C)c3c[nH+]cn3c2c1 ZINC000073163407 191287462 /nfs/dbraw/zinc/28/74/62/191287462.db2.gz LRHOWQSLEKDTCW-UHFFFAOYSA-N 1 0 321.359 4.115 1 0 DIAFRO O=C1c2ccccc2C[C@H]1CC1CC[NH+](Cc2ccccc2)CC1 ZINC000003814292 181047224 /nfs/dbraw/zinc/04/72/24/181047224.db2.gz NCTLDXMBTJBAHY-HXUWFJFHSA-N 1 0 319.448 4.344 1 0 DIAFRO CC[N@@H+]1CC[C@H]2[C@H](c3ccc(CO)cc3)c3cc(C)ccc3[C@H]2C1 ZINC000003810800 181045917 /nfs/dbraw/zinc/04/59/17/181045917.db2.gz SMZNQAICVZUHGF-FCEUIQTBSA-N 1 0 321.464 4.058 1 0 DIAFRO C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H]([NH3+])CC[C@]4(C)[C@H]3CC[C@]12C ZINC000004216361 181085293 /nfs/dbraw/zinc/08/52/93/181085293.db2.gz VIQFMADXQMGZER-CGVINKDUSA-N 1 0 319.533 4.353 1 0 DIAFRO C[NH+](C)CCO[C@@]1(c2ccccc2)C[C@H]2CC[C@]1(C)C2(C)C ZINC000005497089 181249994 /nfs/dbraw/zinc/24/99/94/181249994.db2.gz QOBGWWQAMAPULA-MISYRCLQSA-N 1 0 301.474 4.306 1 0 in-vitro DIAFRO C[NH+](C)[C@H]1Cc2cc(Cl)c(O)cc2[C@H](c2ccccc2)C1 ZINC000005599759 181262211 /nfs/dbraw/zinc/26/22/11/181262211.db2.gz XZCKHECUBFUSAR-GJZGRUSLSA-N 1 0 301.817 4.054 1 0 DIAFRO CCC[NH+](CCC)[C@H]1CCn2c(ccc2C(=O)c2ccccc2)C1 ZINC000013642142 181871658 /nfs/dbraw/zinc/87/16/58/181871658.db2.gz DPSMXTVVZQPEQV-SFHVURJKSA-N 1 0 324.468 4.156 1 0 DIAFRO c1cc2c(ccc3c2C[C@@H](C[NH2+]CCCc2ccccc2)CC3)[nH]1 ZINC000013741775 181887552 /nfs/dbraw/zinc/88/75/52/181887552.db2.gz ZBSUSNSHVMDYGJ-SFHVURJKSA-N 1 0 318.464 4.495 1 0 DIAFRO CCN1c2ccccc2[C@H]2[NH2+]C=C(C)[C@@H]2c2ccc(OC)cc21 ZINC000100997489 193806361 /nfs/dbraw/zinc/80/63/61/193806361.db2.gz DCHBSHSAJDODTK-WOJBJXKFSA-N 1 0 306.409 4.499 1 0 DIAFRO C[NH+](C)[C@@H]1CCc2c(c3ccccc3n2Cc2ccccc2)C1 ZINC000039214007 183014904 /nfs/dbraw/zinc/01/49/04/183014904.db2.gz YCXZEXYGCBJERO-QGZVFWFLSA-N 1 0 304.437 4.109 1 0 DIAFRO CC1(C)[C@@H]2CC[C@@]1(C)[C@H]([NH2+]C1CCN(Cc3ccco3)CC1)C2 ZINC000040428941 183065759 /nfs/dbraw/zinc/06/57/59/183065759.db2.gz AEBAXYGOMZJIJV-ZTNFWEORSA-N 1 0 316.489 4.048 1 0 DIAFRO Oc1ccc(C[NH2+]Cc2cccc3ccccc32)c2cccnc12 ZINC000040917068 183147872 /nfs/dbraw/zinc/14/78/72/183147872.db2.gz ZBMVANCZTVUWHQ-UHFFFAOYSA-N 1 0 314.388 4.383 1 0 DIAFRO Cc1c(C2CC[NH2+]CC2)ccnc1OCc1cccc(Cl)c1 ZINC000040938393 183149630 /nfs/dbraw/zinc/14/96/30/183149630.db2.gz UISQTSABAGNQQZ-UHFFFAOYSA-N 1 0 316.832 4.089 1 0 DIAFRO CCCCC[N@@H+]1CCc2c(nc(C(C)(C)C)n2CC2CC2)C1 ZINC000042919963 183318610 /nfs/dbraw/zinc/31/86/10/183318610.db2.gz DTQNPORUQDMPPM-UHFFFAOYSA-N 1 0 303.494 4.139 1 0 DIAFRO Cc1cccc(-c2nc3ccsc3c(Nc3cc[nH+]cc3)n2)n1 ZINC000043009267 183327119 /nfs/dbraw/zinc/32/71/19/183327119.db2.gz WNARUZYWHVAKOP-UHFFFAOYSA-N 1 0 319.393 4.200 1 0 DIAFRO C[NH+](C)CCCc1c[nH]c(-c2ccc(F)cc2)c1-c1ccncc1 ZINC000043012322 183327625 /nfs/dbraw/zinc/32/76/25/183327625.db2.gz JQKKODFKUWSEMT-UHFFFAOYSA-N 1 0 323.415 4.377 1 0 DIAFRO CCCCCc1cc(O)c2c(c1)OC(C)(C)C1=C2C[NH2+]CC1 ZINC000059687958 184139965 /nfs/dbraw/zinc/13/99/65/184139965.db2.gz UJMRAAHMIOIACR-UHFFFAOYSA-N 1 0 301.430 4.043 1 0 DIAFRO CC(C)(C)CC[C@@]1(C(=O)c2ccc3ccccc3n2)CC[NH2+]C1 ZINC000062225359 184224183 /nfs/dbraw/zinc/22/41/83/184224183.db2.gz FEFGXICFKQBCRL-HXUWFJFHSA-N 1 0 310.441 4.224 1 0 DIAFRO C[NH2+]CC[C@@H]1O[C@H](c2ccc(Cl)cc2)Cc2ccccc21 ZINC000064454051 184297710 /nfs/dbraw/zinc/29/77/10/184297710.db2.gz XIDONAJYIQWYMK-ROUUACIJSA-N 1 0 301.817 4.305 1 0 DIAFRO Cc1cccc(CN[C@H]2CCCC[C@@H]2[NH2+]Cc2cccc(C)c2)c1 ZINC000066073764 184386821 /nfs/dbraw/zinc/38/68/21/184386821.db2.gz YRZGDVXQQNDOIQ-VXKWHMMOSA-N 1 0 322.496 4.494 1 0 DIAFRO Cc1ccccc1CN[C@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1C ZINC000066073761 184386983 /nfs/dbraw/zinc/38/69/83/184386983.db2.gz NXRJGLFADZCXRK-VXKWHMMOSA-N 1 0 322.496 4.494 1 0 DIAFRO Cc1ccccc1CN[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1C ZINC000066073760 184387008 /nfs/dbraw/zinc/38/70/08/184387008.db2.gz NXRJGLFADZCXRK-SZPZYZBQSA-N 1 0 322.496 4.494 1 0 DIAFRO Fc1ccc(Oc2cncc(C3=C[C@H]4C[NH2+]C[C@@H](C3)C4)c2)cc1 ZINC000095572869 185380466 /nfs/dbraw/zinc/38/04/66/185380466.db2.gz OHTDTNHLFFCQRH-UONOGXRCSA-N 1 0 310.372 4.026 1 0 DIAFRO COc1cccc(-c2cccc([C@@]3(C)CCSC(=[NH2+])N3)c2)c1 ZINC000096906024 185390691 /nfs/dbraw/zinc/39/06/91/185390691.db2.gz XMHWIBGIDNZGAB-GOSISDBHSA-N 1 0 312.438 4.029 1 0 DIAFRO CC[NH+](CC)Cc1csc(N)c1C(=O)c1ccc(Cl)cc1 ZINC000096913288 185391170 /nfs/dbraw/zinc/39/11/70/185391170.db2.gz UNSPGVCEKKGPMB-UHFFFAOYSA-N 1 0 322.861 4.057 1 0 DIAFRO O=C(Nc1ccccc1Cl)[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000096927496 185391901 /nfs/dbraw/zinc/39/19/01/185391901.db2.gz QEBPBJVUTHULEZ-INIZCTEOSA-N 1 0 306.837 4.076 1 0 DIAFRO CCC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc3ccccc3c1)[N@@H+]2C ZINC000013736170 190638731 /nfs/dbraw/zinc/63/87/31/190638731.db2.gz WJVLEIDMFWNIAA-PXCRPINLSA-N 1 0 307.437 4.385 1 0 DIAFRO CC(C)(C)[NH+]1CC(N2c3ccccc3COc3ccccc32)C1 ZINC000169333222 197742686 /nfs/dbraw/zinc/74/26/86/197742686.db2.gz FBHRIRFZSPAFAF-UHFFFAOYSA-N 1 0 308.425 4.200 1 0 DIAFRO CCc1[nH]c2c(cc(C)cc2CNc2nc(NC)cc(C)[nH+]2)c1C ZINC000071753179 191023864 /nfs/dbraw/zinc/02/38/64/191023864.db2.gz BEGDNMBWSOZLQX-UHFFFAOYSA-N 1 0 323.444 4.099 1 0 DIAFRO c1cc([C@H]2CCCCO2)ccc1OCCC[NH+]1CCCCC1 ZINC000072179516 191071919 /nfs/dbraw/zinc/07/19/19/191071919.db2.gz ZYMQTVWPXPPWAB-LJQANCHMSA-N 1 0 303.446 4.183 1 0 DIAFRO C[C@@H]1CCC[C@H]([NH2+]Cc2coc(-c3cccc(F)c3)n2)[C@@H]1C ZINC000072185400 191073581 /nfs/dbraw/zinc/07/35/81/191073581.db2.gz WHJHXMHDRVHNNE-XNJGSVPQSA-N 1 0 302.393 4.395 1 0 DIAFRO Oc1ccc(-c2nc(C[NH2+]C34CC5CC(CC(C5)C3)C4)co2)cc1 ZINC000072185611 191073667 /nfs/dbraw/zinc/07/36/67/191073667.db2.gz IWBOYQQXVGZITH-UHFFFAOYSA-N 1 0 324.424 4.106 1 0 DIAFRO C[C@H]1c2c3cc(C(F)(F)F)ccc3[nH]c2C[C@H]2CC[N@@H+](C)C[C@H]12 ZINC000073167665 191287894 /nfs/dbraw/zinc/28/78/94/191287894.db2.gz BJYHYLQKUMWFQA-JTNHKYCSSA-N 1 0 322.374 4.414 1 0 DIAFRO C[NH+](C)CCCN1C(=O)Nc2ccccc2[C@@H]1C1CCCCC1 ZINC000003809429 181045821 /nfs/dbraw/zinc/04/58/21/181045821.db2.gz NKXIXJFADGYOFC-SFHVURJKSA-N 1 0 315.461 4.107 1 0 DIAFRO O[C@](CC[NH+]1CCCCC1)(c1ccccc1)[C@@]12C=C[C@@H](CC1)C2 ZINC000003830320 181047853 /nfs/dbraw/zinc/04/78/53/181047853.db2.gz DDKIYQCGJUBFIE-SESVDKBCSA-N 1 0 311.469 4.107 1 0 DIAFRO CC[C@@H](C)[N@@H+]1CCCC[C@@H]1C(=O)Nc1c(C)cc(C)cc1C ZINC000004893742 181169526 /nfs/dbraw/zinc/16/95/26/181169526.db2.gz MSZVPRVICYHAEH-IAGOWNOFSA-N 1 0 302.462 4.203 3 0 DIAFRO CCC[NH2+]C[C@@H](O)c1oc2ccccc2c1CCc1ccccc1 ZINC000005834826 181287644 /nfs/dbraw/zinc/28/76/44/181287644.db2.gz XPEXCFSBFPOSQR-LJQANCHMSA-N 1 0 323.436 4.251 1 0 DIAFRO [NH2+]=C(NCc1cccc(Cl)c1)c1ccc(C(F)(F)F)cc1 ZINC000013487856 181854823 /nfs/dbraw/zinc/85/48/23/181854823.db2.gz RNEJFUFEMICGEG-UHFFFAOYSA-N 1 0 312.722 4.474 1 0 DIAFRO C[C@H]1C[N@H+](CCc2ccccc2)CC[C@@]1(C)c1cccc(CO)c1 ZINC000013587972 181866327 /nfs/dbraw/zinc/86/63/27/181866327.db2.gz KUPRSXQYRVHMQY-PGRDOPGGSA-N 1 0 323.480 4.021 1 0 DIAFRO O=C1C[C@H]2CC[C@@H]1[C@@H]([NH+]1CCCCC1)[C@@H]2c1c[nH]c2ccccc21 ZINC000027314588 182468158 /nfs/dbraw/zinc/46/81/58/182468158.db2.gz SQIRNABIBUHYJX-IEARMKQFSA-N 1 0 322.452 4.105 1 0 DIAFRO CCC[C@]12CCC[C@H]3[C@H]([NH3+])Cc4c5ccccc5n(c4[C@H]31)C(=O)C2 ZINC000027896535 182496288 /nfs/dbraw/zinc/49/62/88/182496288.db2.gz YXBWALWOVVJCRW-RPQWFQIESA-N 1 0 322.452 4.239 1 0 DIAFRO COc1cccc2c1C[C@@H]([N@H+](C)CCCc1ccccc1)CC2 ZINC000028763306 182537995 /nfs/dbraw/zinc/53/79/95/182537995.db2.gz IYTBJTNDZMUKJS-IBGZPJMESA-N 1 0 309.453 4.117 1 0 DIAFRO CC[NH2+][C@@H]1CCc2c(Sc3ccccc3)ccc(OC)c2C1 ZINC000029213343 182556657 /nfs/dbraw/zinc/55/66/57/182556657.db2.gz AFTQNPSJIWZFBF-CQSZACIVSA-N 1 0 313.466 4.313 1 0 DIAFRO Nc1[nH]c(-c2ccc(C(F)(F)F)cc2)c(-c2ccccc2)[nH+]1 ZINC000066112245 184390357 /nfs/dbraw/zinc/39/03/57/184390357.db2.gz QUGDTCCQIDTVFG-UHFFFAOYSA-N 1 0 303.287 4.345 1 0 DIAFRO Nc1[nH+]ccc2ccc(NCc3cccc(C(F)(F)F)c3)cc21 ZINC000066167009 184394583 /nfs/dbraw/zinc/39/45/83/184394583.db2.gz PBQQPLJSMYFQLA-UHFFFAOYSA-N 1 0 317.314 4.448 1 0 DIAFRO CCC[N@H+](CCc1ccccc1)[C@@H]1CCc2ccc(O)cc2C1 ZINC000013759818 581094252 /nfs/dbraw/zinc/09/42/52/581094252.db2.gz NOXSTXNFXDOBON-HXUWFJFHSA-N 1 0 309.453 4.204 1 0 DIAFRO COc1ccc(Cl)c2c1CC[C@@H](C[NH2+]C1CCCCC1)C2=O ZINC000169319212 197740875 /nfs/dbraw/zinc/74/08/75/197740875.db2.gz ONFQINKCIJVHEF-LBPRGKRZSA-N 1 0 321.848 4.016 1 0 DIAFRO CCCCC[C@H](C)[NH2+]Cc1coc(-c2ccc3c(c2)OCO3)n1 ZINC000072101647 191037133 /nfs/dbraw/zinc/03/71/33/191037133.db2.gz JZTHUHLDOVOBCD-ZDUSSCGKSA-N 1 0 316.401 4.129 1 0 DIAFRO Cc1cc(C)c2c(C[N@H+](C)Cc3ccccc3)cc(=O)oc2c1 ZINC000072138152 191048437 /nfs/dbraw/zinc/04/84/37/191048437.db2.gz PCNIWJTUCBFORZ-UHFFFAOYSA-N 1 0 307.393 4.042 3 0 DIAFRO Cc1cccc(Cn2c3ccccc3nc2[C@@H]([NH3+])CC(C)C)c1 ZINC000072141486 191050170 /nfs/dbraw/zinc/05/01/70/191050170.db2.gz MPYUBIKPBBVCSF-KRWDZBQOSA-N 1 0 307.441 4.439 1 0 DIAFRO CSc1nn(-c2ccccc2)c2cc(C3CC[NH2+]CC3)ccc21 ZINC000072177094 191071303 /nfs/dbraw/zinc/07/13/03/191071303.db2.gz ZULCNSCDKKCPSI-UHFFFAOYSA-N 1 0 323.465 4.214 1 0 DIAFRO CCOc1ccccc1-c1nc(C[N@@H+]2CCCC[C@@H]2C)co1 ZINC000072180417 191072716 /nfs/dbraw/zinc/07/27/16/191072716.db2.gz JRTCXMYERZNBFK-AWEZNQCLSA-N 1 0 300.402 4.115 1 0 DIAFRO Oc1ccc(-c2nc(C[N@@H+]3CC[C@H]4CCCC[C@@H]4C3)co2)cc1 ZINC000072182807 191072798 /nfs/dbraw/zinc/07/27/98/191072798.db2.gz FNHGJCVLILWBNB-GDBMZVCRSA-N 1 0 312.413 4.059 1 0 DIAFRO Cc1ccc(O)c([C@H](CC[N@@H+]2C[C@@H]3C[C@@H]3C2)c2ccccc2)c1 ZINC000003939529 181058072 /nfs/dbraw/zinc/05/80/72/181058072.db2.gz BZVDQWZORRJGHQ-CEXWTWQISA-N 1 0 307.437 4.174 1 0 DIAFRO FC(F)(F)c1cccc(N2CC[NH+]([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)c1 ZINC000004981197 181183648 /nfs/dbraw/zinc/18/36/48/181183648.db2.gz CFWJZVAHHGUKAG-JJRVBVJISA-N 1 0 324.390 4.016 1 0 DIAFRO C[C@H]([NH3+])[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000005439454 181242941 /nfs/dbraw/zinc/24/29/41/181242941.db2.gz FLEBIYNUTZNISZ-YZXCLFAISA-N 1 0 317.517 4.274 1 0 DIAFRO C[NH+](C)[C@H]1Cc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 ZINC000026575256 182446903 /nfs/dbraw/zinc/44/69/03/182446903.db2.gz XZCKHECUBFUSAR-LSDHHAIUSA-N 1 0 301.817 4.054 1 0 DIAFRO C[NH2+]CCS[C@@H]1Cc2ccccc2Oc2ccc(F)cc21 ZINC000027558196 182477849 /nfs/dbraw/zinc/47/78/49/182477849.db2.gz HLKNYQLUSQOYAR-QGZVFWFLSA-N 1 0 303.402 4.168 1 0 DIAFRO COc1ccc(NC(=[NH2+])N2Cc3cccc4cccc(c43)C2)cc1 ZINC000027842141 182492744 /nfs/dbraw/zinc/49/27/44/182492744.db2.gz MUJNEYUTXQCCEK-UHFFFAOYSA-N 1 0 317.392 4.211 1 0 DIAFRO Clc1ccc(Br)cc1/C=C/[C@H]1CCC[NH2+]C1 ZINC000029040439 182549253 /nfs/dbraw/zinc/54/92/53/182549253.db2.gz PNSCQHPUERUHCO-HMDXOVGESA-N 1 0 300.627 4.115 1 0 DIAFRO CC(C)C[C@H]1CN2C(=[NH+]C[C@@H]2C)N1CCCC1CCCCC1 ZINC000040411893 183062971 /nfs/dbraw/zinc/06/29/71/183062971.db2.gz DEXBVTWYMLXPIG-WMZOPIPTSA-N 1 0 305.510 4.137 1 0 DIAFRO CC(C)CCc1cc(N(C)CC(C)C)nc(N(C)CC(C)C)[nH+]1 ZINC000040835711 183140498 /nfs/dbraw/zinc/14/04/98/183140498.db2.gz OAQJUBMNHCURMR-UHFFFAOYSA-N 1 0 320.525 4.250 1 0 DIAFRO Clc1ccc2c(c1)nccc2NCC[NH2+]Cc1ccccc1 ZINC000040845491 183140857 /nfs/dbraw/zinc/14/08/57/183140857.db2.gz ONWNSKYYKRZUHC-UHFFFAOYSA-N 1 0 311.816 4.090 1 0 DIAFRO O[C@H]1/C(=C/c2ccccc2)CCCCC[C@H]1C[NH+]1CCCCC1 ZINC000040938975 183150138 /nfs/dbraw/zinc/15/01/38/183150138.db2.gz NQAZCDCGWBXIFM-UHKITLSUSA-N 1 0 313.485 4.497 1 0 DIAFRO Cc1ccc2cc(C(=O)[C@@H]3C[NH+]=C4C=CC=C(C)N4C3)ccc2c1 ZINC000043069874 183333618 /nfs/dbraw/zinc/33/36/18/183333618.db2.gz KBDRFGALNZIZQZ-LJQANCHMSA-N 1 0 316.404 4.135 1 0 DIAFRO C/C1=C/CC/C(C)=C\[C@H]2OC(=O)[C@@H](C[NH+]3CCCCC3)[C@@H]2CC1 ZINC000043732567 183384192 /nfs/dbraw/zinc/38/41/92/183384192.db2.gz DPDVRBJGMLTSMU-YGAOCEIPSA-N 1 0 317.473 4.097 1 0 DIAFRO CCCCCC[N@@H+]1CCC[C@]2(C1)O[C@H](OC)Cc1ccccc12 ZINC000045255456 183491605 /nfs/dbraw/zinc/49/16/05/183491605.db2.gz PDZIFOILZWGZSR-VQTJNVASSA-N 1 0 317.473 4.103 1 0 DIAFRO Clc1cccc(Cn2cc[n+](Cc3cccc(Cl)c3)c2)c1 ZINC000058540882 184122177 /nfs/dbraw/zinc/12/21/77/184122177.db2.gz JPAQBBQUCKYSGF-UHFFFAOYSA-N 1 0 318.227 4.179 1 0 DIAFRO CC(C)[N@@H+]1CC[C@](C)(C(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000061905737 184194012 /nfs/dbraw/zinc/19/40/12/184194012.db2.gz BFQXKMARNDQZRP-HNNXBMFYSA-N 1 0 315.244 4.052 3 0 DIAFRO CC(C)[C@H]([NH3+])c1csc(NC(=O)Nc2cccc(Cl)c2)n1 ZINC000061906044 184194045 /nfs/dbraw/zinc/19/40/45/184194045.db2.gz KQNAPJBWPDAOSI-LBPRGKRZSA-N 1 0 324.837 4.096 3 0 DIAFRO C[N@@H+]1CCC[C@](C)(C(=O)Nc2cccc(Oc3ccccc3)c2)C1 ZINC000061904693 184194338 /nfs/dbraw/zinc/19/43/38/184194338.db2.gz HJVHBIYRTHQWDH-FQEVSTJZSA-N 1 0 324.424 4.149 3 0 DIAFRO CSc1ccc(O[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000061927710 184196355 /nfs/dbraw/zinc/19/63/55/184196355.db2.gz UAEKQRIHAMJKOV-IBGZPJMESA-N 1 0 313.466 4.452 3 0 DIAFRO Cc1ccc(CN[C@H]2CCCC[C@@H]2[NH2+]Cc2ccc(C)cc2)cc1 ZINC000066073803 184387287 /nfs/dbraw/zinc/38/72/87/184387287.db2.gz BYADEOIPYZCPKB-VXKWHMMOSA-N 1 0 322.496 4.494 1 0 DIAFRO CNc1cccc2c3cc(NCc4ccccc4)[nH+]cc3[nH]c21 ZINC000095553847 185379371 /nfs/dbraw/zinc/37/93/71/185379371.db2.gz PIFRLHWPSFFECO-UHFFFAOYSA-N 1 0 302.381 4.370 1 0 DIAFRO C[C@@]1(c2nc3ccccc3[nH]2)CCC2=[NH+]c3ccccc3CN21 ZINC000095568766 185380333 /nfs/dbraw/zinc/38/03/33/185380333.db2.gz JUZGDLSVUJUMGV-IBGZPJMESA-N 1 0 302.381 4.118 3 0 DIAFRO C[N@H+]1C[C@H]2C=C(c3cncc(OCc4ccccc4)c3)C[C@H](C2)C1 ZINC000095576515 185380724 /nfs/dbraw/zinc/38/07/24/185380724.db2.gz JASZEBXICKBENQ-MSOLQXFVSA-N 1 0 320.436 4.016 1 0 DIAFRO Fc1ccc(F)c(O[C@@H](c2ccccc2)[C@H]2CC[NH2+]C2)c1Cl ZINC000095586893 185381852 /nfs/dbraw/zinc/38/18/52/185381852.db2.gz DPINDTNFGDXWLU-LRDDRELGSA-N 1 0 323.770 4.348 1 0 DIAFRO Fc1ccc(F)c(O[C@H](c2ccccc2)[C@H]2CC[NH2+]C2)c1Cl ZINC000095591952 185382151 /nfs/dbraw/zinc/38/21/51/185382151.db2.gz DPINDTNFGDXWLU-BLLLJJGKSA-N 1 0 323.770 4.348 1 0 DIAFRO NC(=[NH2+])c1ccc2[nH]c(-c3ccc(-c4ccccc4)cc3)nc2c1 ZINC000095614485 185382832 /nfs/dbraw/zinc/38/28/32/185382832.db2.gz QLQYEKPTCMUJKK-UHFFFAOYSA-N 1 0 312.376 4.181 1 0 DIAFRO Fc1ccccc1Oc1ncccc1C[NH2+]C1CCCCC1 ZINC000072103395 191036755 /nfs/dbraw/zinc/03/67/55/191036755.db2.gz GITZOTXQXKALSH-UHFFFAOYSA-N 1 0 300.377 4.435 1 0 DIAFRO Fc1ccccc1-c1nc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)co1 ZINC000072102178 191036794 /nfs/dbraw/zinc/03/67/94/191036794.db2.gz QOPKPODVGLAZBZ-LSDHHAIUSA-N 1 0 314.404 4.493 1 0 DIAFRO Oc1ccc(-c2nc(C[N@@H+]3CC[C@@H]4CCCC[C@@H]4C3)co2)cc1 ZINC000072103205 191036920 /nfs/dbraw/zinc/03/69/20/191036920.db2.gz FNHGJCVLILWBNB-GOEBONIOSA-N 1 0 312.413 4.059 1 0 DIAFRO CCOc1ccc(-c2nc(C[NH2+][C@@H]3C[C@H]4CC[C@@H]3C4)co2)cc1 ZINC000072182008 191072157 /nfs/dbraw/zinc/07/21/57/191072157.db2.gz GAHNURYBPQVKOK-JCKWVBRZSA-N 1 0 312.413 4.019 1 0 DIAFRO CC[N@@H+]1CC[C@H]2[C@H](c3ccc(C=O)cc3)c3cc(C)ccc3[C@H]2C1 ZINC000003810801 181046030 /nfs/dbraw/zinc/04/60/30/181046030.db2.gz NJNCRGMAMMNSBN-FCEUIQTBSA-N 1 0 319.448 4.378 1 0 DIAFRO CC(C)=CC[N@@H+]1[C@@H](C)Cn2c(=S)[nH]c3cccc(c32)[C@@H]1C ZINC000003791073 181046546 /nfs/dbraw/zinc/04/65/46/181046546.db2.gz YTUOQDQWCBEQIZ-STQMWFEESA-N 1 0 301.459 4.430 1 0 DIAFRO COc1cc2ccc(C(C)(C)C)nc2c(N[C@H](C)CCC[NH3+])c1 ZINC000003819482 181047087 /nfs/dbraw/zinc/04/70/87/181047087.db2.gz IDSOIRUIKYGAHY-CYBMUJFWSA-N 1 0 315.461 4.080 1 0 DIAFRO O=C1c2ccccc2C[C@@H]1CC1CC[NH+](Cc2ccccc2)CC1 ZINC000003816964 181047151 /nfs/dbraw/zinc/04/71/51/181047151.db2.gz NCTLDXMBTJBAHY-FQEVSTJZSA-N 1 0 319.448 4.344 1 0 DIAFRO CC(=O)c1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)[N@@H+](CC1CC1)CC3 ZINC000005167618 181212621 /nfs/dbraw/zinc/21/26/21/181212621.db2.gz VSGPHNHYKRDWBH-KSEOMHKRSA-N 1 0 323.480 4.358 1 0 DIAFRO C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CC[N@@H+]2Cc1ccccc1 ZINC000006067099 181309792 /nfs/dbraw/zinc/30/97/92/181309792.db2.gz RPMPAQXGZYLEST-IWMITWMQSA-N 1 0 307.437 4.117 1 0 DIAFRO CCc1cccc(NC(=[NH2+])Nc2cccc(Br)c2)c1 ZINC000013776043 181894709 /nfs/dbraw/zinc/89/47/09/181894709.db2.gz RZDGPHPDMPDOHD-UHFFFAOYSA-N 1 0 318.218 4.470 1 0 DIAFRO Fc1ccc2c(c1)[nH]c(-c1ccsc1)c2[C@@H]1C[NH2+]CC[C@H]1F ZINC000013862746 181907393 /nfs/dbraw/zinc/90/73/93/181907393.db2.gz GVERGJNQZKUDON-ZIAGYGMSSA-N 1 0 318.392 4.451 1 0 DIAFRO Cc1csc(-c2nc3ccccc3c(Nc3cc[nH+]cc3)n2)n1 ZINC000038606081 183004906 /nfs/dbraw/zinc/00/49/06/183004906.db2.gz NBMFKJACAZPWPF-UHFFFAOYSA-N 1 0 319.393 4.200 1 0 DIAFRO C[NH+](C)[C@H]1CC[C@@H](c2c[nH]c3c2cccc3Br)C1 ZINC000038881691 183012338 /nfs/dbraw/zinc/01/23/38/183012338.db2.gz RRSSQIMFGRNMAA-MNOVXSKESA-N 1 0 307.235 4.128 1 0 DIAFRO Clc1ccc([C@@]23C[NH2+]C[C@@H]2[C@H]3c2ccccc2)cc1Cl ZINC000040379804 183057580 /nfs/dbraw/zinc/05/75/80/183057580.db2.gz CWFNRUJQSBCROS-XYPHTWIQSA-N 1 0 304.220 4.248 1 0 DIAFRO C[C@@H]1CC[C@]23CC[N@H+](CC4CC4)[C@H](Cc4ccc(O)cc42)[C@@H]3C1 ZINC000040460543 183070123 /nfs/dbraw/zinc/07/01/23/183070123.db2.gz OZNXNWAXDSEBNZ-ZQEFQCJFSA-N 1 0 311.469 4.107 1 0 DIAFRO COc1cc2cc(C)[n+](-c3ccc(C)cc3)c(C)c2c(OC)c1 ZINC000040935904 183148780 /nfs/dbraw/zinc/14/87/80/183148780.db2.gz JUVZQEQITZZQGW-UHFFFAOYSA-N 1 0 308.401 4.059 1 0 DIAFRO C[C@H](c1ccccc1)N(c1ccc2[nH]ccc2c1)C1CC[NH2+]CC1 ZINC000043074487 183334368 /nfs/dbraw/zinc/33/43/68/183334368.db2.gz CBKZFNTYOMFOLF-MRXNPFEDSA-N 1 0 319.452 4.488 1 0 DIAFRO C[NH+](C)CC[C@@]1(c2ccc(Cl)cc2)Cc2ccccc2CO1 ZINC000053229625 183893783 /nfs/dbraw/zinc/89/37/83/183893783.db2.gz RXPYEZQIPGKCOG-IBGZPJMESA-N 1 0 315.844 4.260 1 0 DIAFRO CSc1ccc(O[C@]2(C)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000061927712 184196136 /nfs/dbraw/zinc/19/61/36/184196136.db2.gz UAEKQRIHAMJKOV-LJQANCHMSA-N 1 0 313.466 4.452 3 0 DIAFRO C[NH2+]CC[C@@H]1O[C@@H](c2ccc(Cl)cc2)Cc2ccccc21 ZINC000064454048 184297754 /nfs/dbraw/zinc/29/77/54/184297754.db2.gz XIDONAJYIQWYMK-ZWKOTPCHSA-N 1 0 301.817 4.305 1 0 DIAFRO CC[NH+]1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000066167081 184394635 /nfs/dbraw/zinc/39/46/35/184394635.db2.gz SNSBQQKMJWPBHG-UHFFFAOYSA-N 1 0 324.424 4.386 1 0 DIAFRO Fc1ccc(N2CC[NH+]([C@@H]3CC[C@@H]4CCCC[C@@H]4C3)CC2)cc1 ZINC000034081742 134688547 /nfs/dbraw/zinc/68/85/47/134688547.db2.gz YNYWZJHDGUKXRP-SQGPQFPESA-N 1 0 316.464 4.307 1 0 DIAFRO CC[C@]1(CCC[NH2+]C)Cc2ccccc2N(c2ccccc2)C1=O ZINC000013978114 535946451 /nfs/dbraw/zinc/94/64/51/535946451.db2.gz WXJZYVUSQHOXID-NRFANRHFSA-N 1 0 322.452 4.303 1 0 DIAFRO C[NH2+]CCCN1c2ccc(O)cc2Sc2ccc(Cl)cc21 ZINC000005140932 560200909 /nfs/dbraw/zinc/20/09/09/560200909.db2.gz SQSNGPIVSCOKRR-UHFFFAOYSA-N 1 0 320.845 4.258 3 0 in-vitro DIAFRO C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000025726476 571740348 /nfs/dbraw/zinc/74/03/48/571740348.db2.gz RYAUSSKQMZRMAI-ULQDDVLXSA-N 1 0 303.490 4.272 1 0 endogenous,in-man DIAFRO NC(=[NH2+])c1cc2c(cccc2/C=C/c2ccc3c(c2)OCO3)s1 ZINC000000005880 581096662 /nfs/dbraw/zinc/09/66/62/581096662.db2.gz BGFUKOBHJOFLNH-GQCTYLIASA-N 1 0 322.389 4.084 1 0 DIAFRO Cc1ccc(Sc2ccccc2N2CC[NH2+]CC2)c(Cl)c1 ZINC000095564036 185380274 /nfs/dbraw/zinc/38/02/74/185380274.db2.gz IONCWLLKDMISKP-UHFFFAOYSA-N 1 0 318.873 4.209 1 0 DIAFRO CC(C)c1c(O)ccc2c1CC[C@H]1C(C)(C)[C@H]([NH3+])CC[C@]21C ZINC000095577134 185380800 /nfs/dbraw/zinc/38/08/00/185380800.db2.gz VYDUHNKKSRVRNA-SQGPQFPESA-N 1 0 301.474 4.483 1 0 DIAFRO COc1cccc(-c2cccc([C@]3(C)NC(=[NH2+])CCS3)c2)c1 ZINC000096906019 185390667 /nfs/dbraw/zinc/39/06/67/185390667.db2.gz CCSFGKCXOLFWQZ-GOSISDBHSA-N 1 0 312.438 4.029 1 0 DIAFRO C[N@@H+]1CC[C@]2(c3cccc(O)c3)C[C@@H](c3ccccc3)C[C@H]1C2 ZINC000096910732 185391035 /nfs/dbraw/zinc/39/10/35/185391035.db2.gz IXWCHLNQYIVTMJ-CUWPLCDZSA-N 1 0 307.437 4.302 1 0 DIAFRO CCOC[C@H](c1ccc(Cl)c(Cl)c1)C1CC[NH2+]CC1 ZINC000096914821 185391172 /nfs/dbraw/zinc/39/11/72/185391172.db2.gz ODBMZGNVEYOUNY-ZDUSSCGKSA-N 1 0 302.245 4.113 1 0 DIAFRO Clc1ccc(C2(OCc3ccccc3)C[NH2+]C2)cc1Cl ZINC000096924124 185391765 /nfs/dbraw/zinc/39/17/65/185391765.db2.gz VQYITZNMGPPDSO-UHFFFAOYSA-N 1 0 308.208 4.009 1 0 DIAFRO CC[C@H](C)[C@H]([NH3+])c1nc2ccccc2n1Cc1cccc(OC)c1 ZINC000072118017 191038587 /nfs/dbraw/zinc/03/85/87/191038587.db2.gz MXIZNOFWMHMTBE-LIRRHRJNSA-N 1 0 323.440 4.139 1 0 DIAFRO O=C(c1ccc(F)cc1)[C@H](Cc1ccccc1)[NH+]1CCCCC1 ZINC000003384441 181014105 /nfs/dbraw/zinc/01/41/05/181014105.db2.gz CNVYIWOLMJXYLZ-IBGZPJMESA-N 1 0 311.400 4.106 3 0 DIAFRO COc1ccc([C@@H]2C[C@H]3c4ccccc4[C@@H]2C[C@@]32CC[NH2+]C2)cc1 ZINC000003801519 181046176 /nfs/dbraw/zinc/04/61/76/181046176.db2.gz JLIFFLDQRBGIFR-MYGLTJDJSA-N 1 0 319.448 4.433 1 0 DIAFRO O[C@@](CC[NH+]1CCCCC1)(c1ccccc1)[C@@]12C=C[C@@H](CC1)C2 ZINC000003830319 181047662 /nfs/dbraw/zinc/04/76/62/181047662.db2.gz DDKIYQCGJUBFIE-JBACZVJFSA-N 1 0 311.469 4.107 1 0 DIAFRO [NH2+]=c1c2c(n(Cc3ccc(Cl)cc3)c3c1CCCC3)CCC2 ZINC000005513555 181251856 /nfs/dbraw/zinc/25/18/56/181251856.db2.gz PRKCBGNZDGQBRO-UHFFFAOYSA-N 1 0 312.844 4.037 1 0 DIAFRO C[NH+](C)CCCSc1nc(-c2ccccc2)nc2ccccc21 ZINC000013445633 181850568 /nfs/dbraw/zinc/85/05/68/181850568.db2.gz MRBGUWVSIXXHDV-UHFFFAOYSA-N 1 0 323.465 4.341 1 0 DIAFRO CC(C)CCN1C(Nc2ccccc2)=[NH+]C[C@@H]1Cc1ccccc1 ZINC000015924659 182025433 /nfs/dbraw/zinc/02/54/33/182025433.db2.gz YZWDNDIHNKYRDG-FQEVSTJZSA-N 1 0 321.468 4.428 3 0 DIAFRO CN1CC[N@@H+]([C@@H]2C[C@@H](c3ccccc3)c3ccccc32)CC1(C)C ZINC000022938017 182342320 /nfs/dbraw/zinc/34/23/20/182342320.db2.gz USXYBVUAZCVLAV-LEWJYISDSA-N 1 0 320.480 4.289 1 0 DIAFRO CCCCCC[NH+]1CCC(C(=O)CC)(c2cccc(O)c2)CC1 ZINC000026669616 182449867 /nfs/dbraw/zinc/44/98/67/182449867.db2.gz OXKFCUKSHJHCAO-UHFFFAOYSA-N 1 0 317.473 4.285 1 0 DIAFRO CCC[C@H]([NH2+]C(C)(C)C)[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000027653700 182485945 /nfs/dbraw/zinc/48/59/45/182485945.db2.gz KYUKGKWHDIGPBD-UONOGXRCSA-N 1 0 303.368 4.296 1 0 DIAFRO Nc1cc2[n+](c3cc(Cl)ccc13)CCc1c3ccccc3[nH]c1-2 ZINC000028019946 182505395 /nfs/dbraw/zinc/50/53/95/182505395.db2.gz WAVIRWUFWNXXQA-UHFFFAOYSA-O 1 0 320.803 4.067 1 0 DIAFRO C[NH2+][C@@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccc(O)cc21 ZINC000029485432 182567610 /nfs/dbraw/zinc/56/76/10/182567610.db2.gz QAOIAICAGBDCEV-MLGOLLRUSA-N 1 0 308.208 4.495 1 0 in-vivo DIAFRO C[NH+](C)C[C@H](O)[C@@H](c1ccccc1)c1cc(Cl)cc(Cl)c1 ZINC000039245488 183015638 /nfs/dbraw/zinc/01/56/38/183015638.db2.gz RGWIXBUFMCPZBS-IRXDYDNUSA-N 1 0 324.251 4.048 1 0 DIAFRO CC(C)[C@H]1CN2C(=[NH+]C[C@@H]2C)N1CCCCC1CCCCC1 ZINC000040829349 183139361 /nfs/dbraw/zinc/13/93/61/183139361.db2.gz LQBJVVBBHUCPCV-FUHWJXTLSA-N 1 0 305.510 4.137 1 0 DIAFRO c1ccc(-c2cc3ccncc3cc2OC[C@@H]2CCC[NH2+]C2)cc1 ZINC000040938693 183149788 /nfs/dbraw/zinc/14/97/88/183149788.db2.gz IGEXQLRNXKQBQI-MRXNPFEDSA-N 1 0 318.420 4.280 1 0 DIAFRO Fc1cccc(CN(c2ccc3[nH]ccc3c2)C2CC[NH2+]CC2)c1 ZINC000043060047 183333085 /nfs/dbraw/zinc/33/30/85/183333085.db2.gz YXBAJJFUPMTDTL-UHFFFAOYSA-N 1 0 323.415 4.066 1 0 DIAFRO CCCCCCOc1c(C)cc(C(=O)CC[NH+](C)C)cc1C ZINC000043011849 183327781 /nfs/dbraw/zinc/32/77/81/183327781.db2.gz MGJLERSAIZIYCA-UHFFFAOYSA-N 1 0 305.462 4.397 1 0 DIAFRO CCCCCCOc1cc(C)c(C(=O)CC[NH+](C)C)c(C)c1 ZINC000043011852 183327868 /nfs/dbraw/zinc/32/78/68/183327868.db2.gz WCSRARMLRDKOED-UHFFFAOYSA-N 1 0 305.462 4.397 1 0 DIAFRO Clc1cccc(O[C@H](c2ccccn2)[C@@H]2CC[NH2+]C2)c1Cl ZINC000043059272 183332908 /nfs/dbraw/zinc/33/29/08/183332908.db2.gz KWWVMVUZZJMGRZ-BZNIZROVSA-N 1 0 323.223 4.118 1 0 DIAFRO Clc1ccccc1Cn1cc[n+](Cc2ccccc2Cl)c1 ZINC000058541173 184122225 /nfs/dbraw/zinc/12/22/25/184122225.db2.gz ITVSIOJRFSOKIS-UHFFFAOYSA-N 1 0 318.227 4.179 1 0 DIAFRO CCCC[NH+](CCCC)CCOc1ccc([C@H](O)C2CC2)cc1 ZINC000066258943 184399257 /nfs/dbraw/zinc/39/92/57/184399257.db2.gz CVRFMLBEOWBFQU-HXUWFJFHSA-N 1 0 319.489 4.411 1 0 DIAFRO OC1(c2ccc(OCCC[NH+]3CCCCC3)cc2)CCCCC1 ZINC000096904669 185390801 /nfs/dbraw/zinc/39/08/01/185390801.db2.gz HGGUHLCAFDTKKM-UHFFFAOYSA-N 1 0 317.473 4.093 1 0 DIAFRO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2C2CCCCC2)c(C)c1 ZINC000096927494 185391968 /nfs/dbraw/zinc/39/19/68/185391968.db2.gz LWTXEZWDZHNNDE-SFHVURJKSA-N 1 0 300.446 4.039 1 0 DIAFRO O=C(Nc1ccccc1Cl)[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000096927497 185392132 /nfs/dbraw/zinc/39/21/32/185392132.db2.gz QEBPBJVUTHULEZ-MRXNPFEDSA-N 1 0 306.837 4.076 1 0 DIAFRO Fc1ccccc1-c1nc(C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)co1 ZINC000072102179 191036843 /nfs/dbraw/zinc/03/68/43/191036843.db2.gz QOPKPODVGLAZBZ-HUUCEWRRSA-N 1 0 314.404 4.493 1 0 DIAFRO Clc1ccc([C@@]23C[C@]2(Cn2cccc2)C[NH2+]CC3)cc1Cl ZINC000072116299 191037961 /nfs/dbraw/zinc/03/79/61/191037961.db2.gz AJFRCYMRJNJFPE-IAGOWNOFSA-N 1 0 321.251 4.116 1 0 DIAFRO C[NH+](C)[C@@H]1Cc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 ZINC000003651167 181043764 /nfs/dbraw/zinc/04/37/64/181043764.db2.gz XZCKHECUBFUSAR-HUUCEWRRSA-N 1 0 301.817 4.054 1 0 DIAFRO Nc1c2ccccc2nc2c1[C@H]([NH2+]CCc1ccccc1)CCC2 ZINC000003802298 181045797 /nfs/dbraw/zinc/04/57/97/181045797.db2.gz FMHNZRPHKKNLBF-GOSISDBHSA-N 1 0 317.436 4.027 1 0 DIAFRO C[NH2+]C[C@@H]1Cc2ccccc2[C@@H]1Oc1ccc(C(F)(F)F)cc1 ZINC000003787226 181046187 /nfs/dbraw/zinc/04/61/87/181046187.db2.gz BDCMARKCSKLIKU-SUMWQHHRSA-N 1 0 321.342 4.217 1 0 in-vivo DIAFRO c1ccc(COc2ccc3c(c2)CC[N@H+](C2CCC2)CC3)cc1 ZINC000003961800 181059444 /nfs/dbraw/zinc/05/94/44/181059444.db2.gz IFLIPLANALCYLX-UHFFFAOYSA-N 1 0 307.437 4.219 1 0 DIAFRO CC[NH+](CC)CCOC(=O)/C(=C\c1ccccc1)c1ccccc1 ZINC000004474476 181111605 /nfs/dbraw/zinc/11/16/05/181111605.db2.gz UTTZVFFEPWFVRY-JZJYNLBNSA-N 1 0 323.436 4.112 1 0 in-man DIAFRO Fc1cccc(F)c1[C@@H]1SCC2=[NH+]c3ccccc3CN21 ZINC000006003067 181304794 /nfs/dbraw/zinc/30/47/94/181304794.db2.gz IGIRSLLURDRTQA-INIZCTEOSA-N 1 0 302.349 4.256 1 0 DIAFRO C[C@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CC[N@@H+]2Cc1ccccc1 ZINC000006066966 181309833 /nfs/dbraw/zinc/30/98/33/181309833.db2.gz RPMPAQXGZYLEST-JHVJFLLYSA-N 1 0 307.437 4.117 1 0 DIAFRO Cc1ccc2c(c1)C([C@H](C)c1ccccn1)=C(CC[NH+](C)C)C2 ZINC000013493454 181855792 /nfs/dbraw/zinc/85/57/92/181855792.db2.gz NGALRHXIDGBNKZ-MRXNPFEDSA-N 1 0 306.453 4.455 1 0 DIAFRO Fc1cc(F)cc(O[C@@H](c2ccccc2)C2CC[NH2+]CC2)c1 ZINC000013530986 181858421 /nfs/dbraw/zinc/85/84/21/181858421.db2.gz LMQZPTBDMFOAIM-SFHVURJKSA-N 1 0 303.352 4.085 1 0 DIAFRO O[C@H]1CCCc2[nH+]c3ccccc3c(NCCc3ccccc3)c21 ZINC000014946478 181976872 /nfs/dbraw/zinc/97/68/72/181976872.db2.gz CSTQOUIHHVJLQT-IBGZPJMESA-N 1 0 318.420 4.259 1 0 DIAFRO CC1(C)C2=CC[N@@H+](CCCc3ccccc3)C[C@@]2(C)CC[C@@H]1O ZINC000026397355 182440043 /nfs/dbraw/zinc/44/00/43/182440043.db2.gz IYVLNEGYKHKZKD-PZJWPPBQSA-N 1 0 313.485 4.048 1 0 DIAFRO CCC[C@H]([NH2+]C(C)(C)C)[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000027653692 182485926 /nfs/dbraw/zinc/48/59/26/182485926.db2.gz KYUKGKWHDIGPBD-KBPBESRZSA-N 1 0 303.368 4.296 1 0 DIAFRO COc1ccc([C@@H]2C[C@@H]3c4ccccc4[C@H]2C[C@]32CC[NH2+]C2)cc1 ZINC000028095534 182508162 /nfs/dbraw/zinc/50/81/62/182508162.db2.gz JLIFFLDQRBGIFR-CBPXPLCBSA-N 1 0 319.448 4.433 1 0 DIAFRO Cc1sc(C(N)=[NH2+])cc1-c1csc(Nc2ccccc2)n1 ZINC000027998064 182503202 /nfs/dbraw/zinc/50/32/02/182503202.db2.gz IXGGMKCHAZTPHZ-UHFFFAOYSA-N 1 0 314.439 4.208 1 0 DIAFRO CC[NH+](CC)C[C@@H](C)OC(=O)c1ccccc1-c1ccccc1 ZINC000029251449 182557759 /nfs/dbraw/zinc/55/77/59/182557759.db2.gz FHJSTVICNXFDNP-MRXNPFEDSA-N 1 0 311.425 4.241 1 0 DIAFRO C[NH+](C)[C@H]1CCc2c(c3ccccc3n2Cc2ccccc2)C1 ZINC000039214008 183014704 /nfs/dbraw/zinc/01/47/04/183014704.db2.gz YCXZEXYGCBJERO-KRWDZBQOSA-N 1 0 304.437 4.109 1 0 DIAFRO COc1cccc(-c2noc3c2C[N@@H+](C2CCCCC2)CC3)c1 ZINC000039552609 183020169 /nfs/dbraw/zinc/02/01/69/183020169.db2.gz NHUOFXYGRHQTLZ-UHFFFAOYSA-N 1 0 312.413 4.041 1 0 DIAFRO Cc1c(OCc2ccc(F)c(F)c2)cccc1C1CC[NH2+]CC1 ZINC000040379924 183057864 /nfs/dbraw/zinc/05/78/64/183057864.db2.gz YVEZDQWTKUXIGP-UHFFFAOYSA-N 1 0 317.379 4.319 1 0 DIAFRO C[C@H]1CC[C@]23CC[N@H+](CC4CC4)[C@H](Cc4ccc(O)cc42)[C@@H]3C1 ZINC000040460544 183069579 /nfs/dbraw/zinc/06/95/79/183069579.db2.gz OZNXNWAXDSEBNZ-VJICWTENSA-N 1 0 311.469 4.107 1 0 DIAFRO C[n+]1c(/C=C/c2ccc(Br)o2)ccc2ccccc21 ZINC000040861353 183143914 /nfs/dbraw/zinc/14/39/14/183143914.db2.gz UPHCZINTCFWAFG-CMDGGOBGSA-N 1 0 315.190 4.190 1 0 DIAFRO Cc1c(C2CC[NH2+]CC2)ccnc1OCc1ccc(Cl)cc1 ZINC000040916882 183147793 /nfs/dbraw/zinc/14/77/93/183147793.db2.gz VWUKKSQMCHCZKA-UHFFFAOYSA-N 1 0 316.832 4.089 1 0 DIAFRO C[NH2+]C[C@@H]1CSc2ccccc2[C@@H]1Oc1ccccc1Cl ZINC000040973400 183153551 /nfs/dbraw/zinc/15/35/51/183153551.db2.gz RHFJKUASNIKDKP-SJKOYZFVSA-N 1 0 319.857 4.401 1 0 DIAFRO Clc1cccc(O[C@H](c2ccccn2)[C@H]2CC[NH2+]C2)c1Cl ZINC000043059276 183332560 /nfs/dbraw/zinc/33/25/60/183332560.db2.gz KWWVMVUZZJMGRZ-ZBEGNZNMSA-N 1 0 323.223 4.118 1 0 DIAFRO Clc1cccc(O[C@@H](c2ccccn2)[C@@H]2CC[NH2+]C2)c1Cl ZINC000043059270 183332618 /nfs/dbraw/zinc/33/26/18/183332618.db2.gz KWWVMVUZZJMGRZ-BDJLRTHQSA-N 1 0 323.223 4.118 1 0 DIAFRO Cc1ccc(C[NH3+])cc1C(=O)N[C@H](C)c1cccc2ccccc21 ZINC000043071312 183334530 /nfs/dbraw/zinc/33/45/30/183334530.db2.gz BIKTWHWUIKAJAT-OAHLLOKOSA-N 1 0 318.420 4.098 1 0 DIAFRO O=C1CCC(c2ccc(OCCC[NH+]3CCCCC3)cc2)CC1 ZINC000059792769 184140885 /nfs/dbraw/zinc/14/08/85/184140885.db2.gz PAWKQFHVEWLZGA-UHFFFAOYSA-N 1 0 315.457 4.168 1 0 DIAFRO C[C@H]([NH3+])c1csc(Nc2ccc(C(=O)c3ccccc3)cc2)n1 ZINC000061906266 184194034 /nfs/dbraw/zinc/19/40/34/184194034.db2.gz UQIXQOKXZBANFY-LBPRGKRZSA-N 1 0 323.421 4.137 3 0 DIAFRO CC(=O)c1ccc(O[C@]2(C)CC[N@H+](Cc3ccc(C)cc3)C2)cc1 ZINC000061903703 184194183 /nfs/dbraw/zinc/19/41/83/184194183.db2.gz JYIZYSNUFZOUIW-OAQYLSRUSA-N 1 0 323.436 4.241 3 0 DIAFRO C[C@@H]([NH3+])c1csc(Nc2ccc(C(=O)c3ccccc3)cc2)n1 ZINC000061906267 184194359 /nfs/dbraw/zinc/19/43/59/184194359.db2.gz UQIXQOKXZBANFY-GFCCVEGCSA-N 1 0 323.421 4.137 3 0 DIAFRO C[NH+](C)[C@@H]1CC[C@@H](c2c[nH]c3ccc(Br)cc32)C1 ZINC000064446744 184297239 /nfs/dbraw/zinc/29/72/39/184297239.db2.gz IOVINFXTGPGPQP-ZYHUDNBSSA-N 1 0 307.235 4.128 1 0 DIAFRO Cc1ccccc1CN[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1C ZINC000066073762 184386949 /nfs/dbraw/zinc/38/69/49/184386949.db2.gz NXRJGLFADZCXRK-FGZHOGPDSA-N 1 0 322.496 4.494 1 0 DIAFRO CC[C@@]1(CCC[NH2+]C)Cc2ccccc2N(c2ccccc2)C1=O ZINC000006716517 536077867 /nfs/dbraw/zinc/07/78/67/536077867.db2.gz WXJZYVUSQHOXID-OAQYLSRUSA-N 1 0 322.452 4.303 1 0 DIAFRO C[N@H+]1C[C@H]2C=C(c3cncc(Oc4ccccc4)c3)C[C@H](C2)C1 ZINC000095578535 185380729 /nfs/dbraw/zinc/38/07/29/185380729.db2.gz JPNUKJAOPRHHRY-CVEARBPZSA-N 1 0 306.409 4.229 1 0 DIAFRO COc1cc(Cl)ccc1O[C@H](c1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000095587325 185381712 /nfs/dbraw/zinc/38/17/12/185381712.db2.gz GIKANUDLIOICAL-RDTXWAMCSA-N 1 0 317.816 4.078 1 0 DIAFRO Cc1cc(Cl)ccc1O[C@@H](c1ccccc1)[C@H]1CC[NH2+]C1 ZINC000095589058 185382108 /nfs/dbraw/zinc/38/21/08/185382108.db2.gz ZBOZPXXCXYETEE-YJBOKZPZSA-N 1 0 301.817 4.378 1 0 DIAFRO Fc1ccc(O[C@@H](c2ccccc2)[C@H]2CC[NH2+]C2)c(Cl)c1 ZINC000095590325 185382112 /nfs/dbraw/zinc/38/21/12/185382112.db2.gz GFBHUZKPXOPMMX-GUYCJALGSA-N 1 0 305.780 4.209 1 0 DIAFRO CCN(C(=O)c1ccccc1-c1ccccc1)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000096940001 185393260 /nfs/dbraw/zinc/39/32/60/185393260.db2.gz GPCLEOFLGGBCPL-ZWKOTPCHSA-N 1 0 322.452 4.086 1 0 DIAFRO c1ccc(C[NH2+]CCC[C@@H]2CCO[C@H](c3ccccc3)O2)cc1 ZINC000071295256 190954589 /nfs/dbraw/zinc/95/45/89/190954589.db2.gz XGHUIVFGZHRWHE-UXHICEINSA-N 1 0 311.425 4.061 1 0 DIAFRO CCCCC[C@@H](C)[NH2+]Cc1coc(-c2ccc3c(c2)OCO3)n1 ZINC000072101646 191036739 /nfs/dbraw/zinc/03/67/39/191036739.db2.gz JZTHUHLDOVOBCD-CYBMUJFWSA-N 1 0 316.401 4.129 1 0 DIAFRO CC[C@H](C)[C@H]([NH3+])c1nc2ccccc2n1Cc1cccc(C)c1 ZINC000072116711 191039167 /nfs/dbraw/zinc/03/91/67/191039167.db2.gz GUMRAHCFVIDKPI-KXBFYZLASA-N 1 0 307.441 4.439 1 0 DIAFRO CC[C@@H](O)C(C[C@@H](C)[NH+](C)C)(c1ccccc1)c1ccccc1 ZINC000001587665 180876192 /nfs/dbraw/zinc/87/61/92/180876192.db2.gz QIRAYNIFEOXSPW-YLJYHZDGSA-N 1 0 311.469 4.084 1 0 in-man DIAFRO C[NH2+]CCC[C@]1(c2ccc(F)cc2)OC(C)(C)c2ccccc21 ZINC000003635205 181043090 /nfs/dbraw/zinc/04/30/90/181043090.db2.gz URMSDCFJUVHWMC-HXUWFJFHSA-N 1 0 313.416 4.334 1 0 DIAFRO c1ccc2c(c1)CCc1ccccc1C2OC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000003640301 181043548 /nfs/dbraw/zinc/04/35/48/181043548.db2.gz AKLCPXGQDSPXQD-DFNIBXOVSA-N 1 0 319.448 4.174 1 0 DIAFRO [NH2+]=c1c2c(n(Cc3cccc(Cl)c3)c3c1CCCC3)CCC2 ZINC000005003440 181188768 /nfs/dbraw/zinc/18/87/68/181188768.db2.gz ZVECUHIVPCIEDV-UHFFFAOYSA-N 1 0 312.844 4.037 3 0 DIAFRO Clc1cccc(O[C@@H](c2ccccc2)C2CC[NH2+]CC2)c1 ZINC000013530863 181858621 /nfs/dbraw/zinc/85/86/21/181858621.db2.gz XWKDJWUGOIMATK-SFHVURJKSA-N 1 0 301.817 4.460 1 0 DIAFRO CC[C@H](C)C[NH+]1CCC(CO)(Cc2ccccc2Cl)CC1 ZINC000013595107 181866969 /nfs/dbraw/zinc/86/69/69/181866969.db2.gz RXIJVEQGBZONGL-HNNXBMFYSA-N 1 0 309.881 4.003 3 0 DIAFRO Cc1cccc(Cl)c1Nc1nc2c(N)cccc2n2c[nH+]cc12 ZINC000026573123 182445988 /nfs/dbraw/zinc/44/59/88/182445988.db2.gz MJYBGJVBUCRHNL-UHFFFAOYSA-N 1 0 323.787 4.170 1 0 DIAFRO COc1ccc([C@@H]2C[C@@H]3c4ccccc4[C@H]2C[C@@]32CC[NH2+]C2)cc1 ZINC000028095665 182508600 /nfs/dbraw/zinc/50/86/00/182508600.db2.gz JLIFFLDQRBGIFR-DXBBTUNJSA-N 1 0 319.448 4.433 1 0 DIAFRO C[NH+](C)CCc1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000028884042 182544332 /nfs/dbraw/zinc/54/43/32/182544332.db2.gz JLAQXLWOQPUZAY-UHFFFAOYSA-N 1 0 312.844 4.447 1 0 DIAFRO CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H]([NH3+])CC[C@]4(C)[C@H]3CC[C@]12C ZINC000039205634 183015221 /nfs/dbraw/zinc/01/52/21/183015221.db2.gz GPRZXDPWGLHIQE-QYYVTAPASA-N 1 0 315.501 4.482 1 0 biogenic,in-vitro DIAFRO C[NH+](C)C[C@@H](O)[C@H](c1ccccc1)c1cc(Cl)cc(Cl)c1 ZINC000039245491 183015605 /nfs/dbraw/zinc/01/56/05/183015605.db2.gz RGWIXBUFMCPZBS-IAGOWNOFSA-N 1 0 324.251 4.048 1 0 DIAFRO C[NH2+]CCS[C@@H]1Cc2ccccc2Sc2ccccc21 ZINC000039291713 183016698 /nfs/dbraw/zinc/01/66/98/183016698.db2.gz KYIGGVYANDLBGC-QGZVFWFLSA-N 1 0 301.480 4.388 1 0 DIAFRO C[NH+](C)[C@@H]1CCc2[nH]c3ccc(OCc4ccccc4)cc3c2C1 ZINC000039332163 183017054 /nfs/dbraw/zinc/01/70/54/183017054.db2.gz JMVDTIUUNPLIRU-MRXNPFEDSA-N 1 0 320.436 4.166 1 0 DIAFRO C[NH2+]C[C@@H]1Cc2ccccc2[C@@H]1Oc1cccc2ccccc21 ZINC000040430611 183065836 /nfs/dbraw/zinc/06/58/36/183065836.db2.gz VPTOWUWJWIVXIJ-LAUBAEHRSA-N 1 0 303.405 4.352 1 0 DIAFRO CC(C)CCc1cc(N(C)CC(C)C)nc(NCC(C)C)[nH+]1 ZINC000040834460 183140072 /nfs/dbraw/zinc/14/00/72/183140072.db2.gz GDNMTXLRNQLNLT-UHFFFAOYSA-N 1 0 306.498 4.225 1 0 DIAFRO C[NH+](C)C12C[C@@H](O)C([C@@H](c3ccccc3)C1)[C@@H](c1ccccc1)C2 ZINC000040752851 183129067 /nfs/dbraw/zinc/12/90/67/183129067.db2.gz KLESOODJLAUDNH-NCIAWMRRSA-N 1 0 321.464 4.029 1 0 DIAFRO C[NH2+]C[C@H]1C[C@]1(Oc1cccc2ccccc21)c1cccs1 ZINC000042967022 183324474 /nfs/dbraw/zinc/32/44/74/183324474.db2.gz YFHROOMCIQOYDA-DNVCBOLYSA-N 1 0 309.434 4.415 1 0 in-vitro DIAFRO Fc1cccc(Cl)c1Oc1ncccc1C1CC[NH2+]CC1 ZINC000043206560 183344530 /nfs/dbraw/zinc/34/45/30/183344530.db2.gz FLHCVNZEHIWJGJ-UHFFFAOYSA-N 1 0 306.768 4.133 1 0 DIAFRO C[C@@H](c1ccccc1)N(c1ccc2[nH]ccc2c1)C1CC[NH2+]CC1 ZINC000043074484 183334021 /nfs/dbraw/zinc/33/40/21/183334021.db2.gz CBKZFNTYOMFOLF-INIZCTEOSA-N 1 0 319.452 4.488 1 0 DIAFRO CCCCCCOc1ccc(C(=O)CC[NH+](C)C)c(Cl)c1 ZINC000043071218 183334130 /nfs/dbraw/zinc/33/41/30/183334130.db2.gz STMSRTJNGSQKNC-UHFFFAOYSA-N 1 0 311.853 4.434 1 0 DIAFRO CC(C)(C)CC[C@]1(C(=O)c2cc3cc[nH]c3c(F)c2)CC[NH2+]C1 ZINC000058592781 184124172 /nfs/dbraw/zinc/12/41/72/184124172.db2.gz MJCKYDPFUPMINT-IBGZPJMESA-N 1 0 316.420 4.296 1 0 DIAFRO CC(C)[C@@H]([NH3+])c1csc(NC(=O)Nc2cccc(Cl)c2)n1 ZINC000061906045 184194139 /nfs/dbraw/zinc/19/41/39/184194139.db2.gz KQNAPJBWPDAOSI-GFCCVEGCSA-N 1 0 324.837 4.096 3 0 DIAFRO c1ccc(-c2ccc(N3CCCC4(CC[NH2+]CC4)C3)cc2)cc1 ZINC000003956183 134457066 /nfs/dbraw/zinc/45/70/66/134457066.db2.gz JJINXJIMUWWEOD-UHFFFAOYSA-N 1 0 306.453 4.324 1 0 DIAFRO CCCCCCNC(=O)Oc1ccc2c(c1)[C@@H]1C[C@H]2[N@@H+](C)CC1 ZINC000026159832 581093409 /nfs/dbraw/zinc/09/34/09/581093409.db2.gz KFWGKECULQNZER-KBXCAEBGSA-N 1 0 316.445 4.219 1 0 DIAFRO Cc1ccc(Sc2cccc(C)c2N2CC[NH2+]CC2)c(C)c1 ZINC000095563510 185380021 /nfs/dbraw/zinc/38/00/21/185380021.db2.gz UJNJZDZUOJYRAQ-UHFFFAOYSA-N 1 0 312.482 4.173 1 0 DIAFRO C[C@]1(c2nc3ccccc3[nH]2)CCC2=[NH+]c3ccccc3CN21 ZINC000095568765 185380151 /nfs/dbraw/zinc/38/01/51/185380151.db2.gz JUZGDLSVUJUMGV-LJQANCHMSA-N 1 0 302.381 4.118 3 0 DIAFRO Fc1ccc(F)c(O[C@H](c2ccccc2)[C@@H]2CC[NH2+]C2)c1Cl ZINC000095586620 185381423 /nfs/dbraw/zinc/38/14/23/185381423.db2.gz DPINDTNFGDXWLU-MLGOLLRUSA-N 1 0 323.770 4.348 1 0 DIAFRO CCC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)C1CC[NH2+]CC1 ZINC000096914802 185391180 /nfs/dbraw/zinc/39/11/80/185391180.db2.gz YZFVLCCVWPDTHH-OAHLLOKOSA-N 1 0 300.229 4.056 1 0 DIAFRO CCC(=O)[C@H](c1ccc(Cl)c(Cl)c1)C1CC[NH2+]CC1 ZINC000096914803 185391328 /nfs/dbraw/zinc/39/13/28/185391328.db2.gz YZFVLCCVWPDTHH-HNNXBMFYSA-N 1 0 300.229 4.056 1 0 DIAFRO Clc1ccc(COC2(c3ccc(Cl)cc3)C[NH2+]C2)cc1 ZINC000096924122 185391783 /nfs/dbraw/zinc/39/17/83/185391783.db2.gz NVNBEIHKAYVGAA-UHFFFAOYSA-N 1 0 308.208 4.009 1 0 DIAFRO CC(C)[C@H]([NH3+])c1nc2ccccc2n1Cc1ccc(Cl)cc1 ZINC000072118205 191038978 /nfs/dbraw/zinc/03/89/78/191038978.db2.gz GDDZKLGDACVNDP-KRWDZBQOSA-N 1 0 313.832 4.394 1 0 DIAFRO C[C@@H]1c2c3ccc(C(F)(F)F)cc3[nH]c2C[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000073164932 191286656 /nfs/dbraw/zinc/28/66/56/191286656.db2.gz MESIYASLBXNTIA-MISXGVKJSA-N 1 0 322.374 4.414 1 0 DIAFRO FC[C@H]1OC2(CC[NH+](Cc3ccccc3)CC2)c2ccccc21 ZINC000073169960 191287956 /nfs/dbraw/zinc/28/79/56/191287956.db2.gz XTXVTJGNOBELJF-LJQANCHMSA-N 1 0 311.400 4.219 1 0 DIAFRO COc1cc(/C=C/C2=CC(C)(C)[NH2+]C(C)(C)C2)cc(OC)c1 ZINC000073199076 191291234 /nfs/dbraw/zinc/29/12/34/191291234.db2.gz XEBOANFBWXLLGF-BQYQJAHWSA-N 1 0 301.430 4.194 1 0 DIAFRO C[NH+](C)Cc1ccccc1-c1cncnc1Nc1ccc(F)cc1 ZINC000004267291 181089809 /nfs/dbraw/zinc/08/98/09/181089809.db2.gz GJPQHIOTHTUVBW-UHFFFAOYSA-N 1 0 322.387 4.088 1 0 DIAFRO COc1ccc2c(c1)CC(CC[NH+](C)C)=C2[C@@H](C)c1ccccn1 ZINC000013493464 181856205 /nfs/dbraw/zinc/85/62/05/181856205.db2.gz MRQZZXHSUJAGCV-HNNXBMFYSA-N 1 0 322.452 4.155 1 0 DIAFRO C[NH+](C)CCC1=C(C(C)(C)c2ccccn2)c2ccccc2C1 ZINC000013493492 181856309 /nfs/dbraw/zinc/85/63/09/181856309.db2.gz MPVIJPUSNDEBBO-UHFFFAOYSA-N 1 0 306.453 4.321 1 0 DIAFRO C[C@@H](CCN1C(Nc2ccccc2)=[NH+]C[C@@H]1C)c1ccccc1 ZINC000015924642 182024672 /nfs/dbraw/zinc/02/46/72/182024672.db2.gz BNTVFKMIWKZCKS-IRXDYDNUSA-N 1 0 307.441 4.352 3 0 DIAFRO CC(C)(C)[C@H]1CC[C@@H]([NH+]2CCC(c3ccccc3)CC2)[C@H](O)C1 ZINC000028238932 182515928 /nfs/dbraw/zinc/51/59/28/182515928.db2.gz COXOYXRGCYKRBB-XUVXKRRUSA-N 1 0 315.501 4.442 1 0 DIAFRO C[NH+](C)C[C@H](O)[C@H](c1ccccc1)c1cc(Cl)cc(Cl)c1 ZINC000039245490 183015898 /nfs/dbraw/zinc/01/58/98/183015898.db2.gz RGWIXBUFMCPZBS-DLBZAZTESA-N 1 0 324.251 4.048 1 0 DIAFRO CC[C@H]1[C@H](C)CC[C@]23CC[N@H+](C)[C@H](Cc4ccc(OC)cc42)[C@H]13 ZINC000040709448 183121138 /nfs/dbraw/zinc/12/11/38/183121138.db2.gz WUTXTDJQZMUNAE-HOUJDRPRSA-N 1 0 313.485 4.266 1 0 DIAFRO CC[C@@H]1[C@H]2[C@H]3Cc4ccc(OC)cc4[C@]2(CC[C@@H]1C)CC[N@@H+]3C ZINC000040709450 183121162 /nfs/dbraw/zinc/12/11/62/183121162.db2.gz WUTXTDJQZMUNAE-VGOMHZMQSA-N 1 0 313.485 4.266 1 0 DIAFRO COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]Cc1ccccc1 ZINC000040974911 183153631 /nfs/dbraw/zinc/15/36/31/183153631.db2.gz BAZFQYBPKNRXIH-IBGZPJMESA-N 1 0 306.409 4.344 1 0 DIAFRO C[C@H](Cc1ccc(C(C)(C)C)cc1)[NH2+]C[C@H](O)c1ccccc1 ZINC000045187888 183488321 /nfs/dbraw/zinc/48/83/21/183488321.db2.gz IIYFFGCDJGELIJ-UZLBHIALSA-N 1 0 311.469 4.238 1 0 DIAFRO CC(C)(C)CC[C@]1(C(=O)c2ccc3ccccc3n2)CC[NH2+]C1 ZINC000058591503 184124088 /nfs/dbraw/zinc/12/40/88/184124088.db2.gz FEFGXICFKQBCRL-FQEVSTJZSA-N 1 0 310.441 4.224 1 0 DIAFRO Nc1c2ccccc2[nH+]c2c1CCC/C2=C/c1ccc(O)cc1 ZINC000059696274 184140216 /nfs/dbraw/zinc/14/02/16/184140216.db2.gz RYEQFXNUHXPMJC-OWBHPGMISA-N 1 0 302.377 4.400 1 0 DIAFRO CC(=O)c1ccc(O[C@@]2(C)CC[N@H+](Cc3ccc(C)cc3)C2)cc1 ZINC000061903704 184194190 /nfs/dbraw/zinc/19/41/90/184194190.db2.gz JYIZYSNUFZOUIW-NRFANRHFSA-N 1 0 323.436 4.241 3 0 DIAFRO CC(=O)c1ccc(Nc2nc([C@H]([NH3+])c3ccccc3)cs2)cc1 ZINC000061907909 184194545 /nfs/dbraw/zinc/19/45/45/184194545.db2.gz IUCCPLUHXUUDRN-QGZVFWFLSA-N 1 0 323.421 4.137 3 0 DIAFRO C[C@H]1C[C@H](C)C[NH+](Cc2coc(-c3ccccc3Cl)n2)C1 ZINC000064399357 184296050 /nfs/dbraw/zinc/29/60/50/184296050.db2.gz AFVOKBUVGYWYNK-STQMWFEESA-N 1 0 304.821 4.473 1 0 DIAFRO C[NH+](C)[C@@H]1CC[C@H](c2c[nH]c3ccc(Br)cc32)C1 ZINC000064446741 184296926 /nfs/dbraw/zinc/29/69/26/184296926.db2.gz IOVINFXTGPGPQP-CMPLNLGQSA-N 1 0 307.235 4.128 1 0 DIAFRO C[NH2+]CCC[C@]1(C)Cc2ccccc2N(c2cccc(C)c2)C1=O ZINC000006716521 134477189 /nfs/dbraw/zinc/47/71/89/134477189.db2.gz KNTQYVICAJIRLP-OAQYLSRUSA-N 1 0 322.452 4.222 1 0 DIAFRO C[C@H](CCn1c(=O)cc(-c2ccccc2)c2ccccc21)[NH+](C)C ZINC000095585954 185381750 /nfs/dbraw/zinc/38/17/50/185381750.db2.gz YUFLLQAHVLBWMC-MRXNPFEDSA-N 1 0 320.436 4.009 1 0 DIAFRO COc1cccc(-c2cccc([C@]3(C)CCSC(=[NH2+])N3)c2)c1 ZINC000096906025 185390759 /nfs/dbraw/zinc/39/07/59/185390759.db2.gz XMHWIBGIDNZGAB-SFHVURJKSA-N 1 0 312.438 4.029 1 0 DIAFRO CCCC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)C1CC[NH2+]CC1 ZINC000096914804 185391275 /nfs/dbraw/zinc/39/12/75/185391275.db2.gz USVNLAGHXZPJSI-MRXNPFEDSA-N 1 0 314.256 4.446 1 0 DIAFRO C[n+]1ccc2c3ccccc3n(CCCc3ccccc3)c2c1 ZINC000096922768 185391661 /nfs/dbraw/zinc/39/16/61/185391661.db2.gz CGZTYFPFPLSUPF-UHFFFAOYSA-N 1 0 301.413 4.252 1 0 DIAFRO CSc1nn(-c2ccccc2)c2cc(C3=CC[NH2+]CC3)ccc21 ZINC000072177671 191071206 /nfs/dbraw/zinc/07/12/06/191071206.db2.gz ZPDGZKULFKIAEJ-UHFFFAOYSA-N 1 0 321.449 4.124 1 0 DIAFRO c1cc([C@@H]2CCCCO2)ccc1OCCC[NH+]1CCCCC1 ZINC000072179515 191071712 /nfs/dbraw/zinc/07/17/12/191071712.db2.gz ZYMQTVWPXPPWAB-IBGZPJMESA-N 1 0 303.446 4.183 1 0 DIAFRO COc1cccc(-c2nc(C[NH+]3CCCCCCC3)co2)c1 ZINC000072185002 191071964 /nfs/dbraw/zinc/07/19/64/191071964.db2.gz GEXLDHIUMVMTTH-UHFFFAOYSA-N 1 0 300.402 4.116 1 0 DIAFRO CCOc1ccccc1-c1nc(C[NH2+][C@H](C)C(C)(C)C)co1 ZINC000072186583 191072907 /nfs/dbraw/zinc/07/29/07/191072907.db2.gz PDZKMQOECMCDEG-CYBMUJFWSA-N 1 0 302.418 4.265 1 0 DIAFRO CC(=O)c1ccc(OCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000001492382 180870018 /nfs/dbraw/zinc/87/00/18/180870018.db2.gz WAHPCHKYZZEKKV-UHFFFAOYSA-N 1 0 309.409 4.064 1 0 DIAFRO Cc1c2cccc3c2n(c1CC[NH+](C)C)-c1ccccc1CC3 ZINC000002001852 180905596 /nfs/dbraw/zinc/90/55/96/180905596.db2.gz TZGIJHSIMPTQSE-UHFFFAOYSA-N 1 0 304.437 4.142 1 0 DIAFRO O=C(c1ccc(F)cc1)[C@@H](Cc1ccccc1)[NH+]1CCCCC1 ZINC000003384446 181013933 /nfs/dbraw/zinc/01/39/33/181013933.db2.gz CNVYIWOLMJXYLZ-LJQANCHMSA-N 1 0 311.400 4.106 3 0 DIAFRO C[C@H]1c2c3ccc(C(F)(F)F)cc3[nH]c2C[C@H]2CC[N@@H+](C)C[C@H]12 ZINC000073164934 191287043 /nfs/dbraw/zinc/28/70/43/191287043.db2.gz MESIYASLBXNTIA-JTNHKYCSSA-N 1 0 322.374 4.414 1 0 DIAFRO C[NH2+]CCC[C@@]1(c2ccc(F)cc2)OC(C)(C)c2ccccc21 ZINC000003635204 181043065 /nfs/dbraw/zinc/04/30/65/181043065.db2.gz URMSDCFJUVHWMC-FQEVSTJZSA-N 1 0 313.416 4.334 1 0 DIAFRO C[C@@H]1c2c3cc(C(F)(F)F)ccc3[nH]c2C[C@@H]2CC[N@@H+](C)C[C@@H]12 ZINC000003989924 181060586 /nfs/dbraw/zinc/06/05/86/181060586.db2.gz BJYHYLQKUMWFQA-MJVIPROJSA-N 1 0 322.374 4.414 1 0 DIAFRO C[NH+](C)Cc1ccccc1-c1nccc(Nc2ccc(F)cc2)n1 ZINC000004264822 181089610 /nfs/dbraw/zinc/08/96/10/181089610.db2.gz ZBHFFCWMUDXEBS-UHFFFAOYSA-N 1 0 322.387 4.088 1 0 DIAFRO CC[C@H](C)[N@@H+]1CCCC[C@@H]1C(=O)Nc1c(C)cc(C)cc1C ZINC000004893743 181169744 /nfs/dbraw/zinc/16/97/44/181169744.db2.gz MSZVPRVICYHAEH-DLBZAZTESA-N 1 0 302.462 4.203 3 0 DIAFRO Cc1ccc2c(c1)SC1=Nc3sc4cc(C)ccc4[n+]3CN21 ZINC000005931152 181297460 /nfs/dbraw/zinc/29/74/60/181297460.db2.gz AWDYZNYAVYZXMM-UHFFFAOYSA-N 1 0 324.454 4.377 1 0 DIAFRO Clc1cccc(O[C@H](c2ccccc2)C2CC[NH2+]CC2)c1 ZINC000013530860 181858623 /nfs/dbraw/zinc/85/86/23/181858623.db2.gz XWKDJWUGOIMATK-GOSISDBHSA-N 1 0 301.817 4.460 1 0 DIAFRO OC1(C2CC2)CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000028817119 182540134 /nfs/dbraw/zinc/54/01/34/182540134.db2.gz DWUKNKDABPWVAE-UHFFFAOYSA-N 1 0 307.437 4.013 1 0 in-vivo DIAFRO C[NH+](C)[C@H]1CC[C@H](c2c[nH]c3c2cccc3Br)C1 ZINC000038881687 183011798 /nfs/dbraw/zinc/01/17/98/183011798.db2.gz RRSSQIMFGRNMAA-QWRGUYRKSA-N 1 0 307.235 4.128 1 0 DIAFRO CC(C)CCc1cc(NCC(C)C)nc(N(C)CC(C)C)[nH+]1 ZINC000040835763 183140258 /nfs/dbraw/zinc/14/02/58/183140258.db2.gz NSKAIYJKIKEZIG-UHFFFAOYSA-N 1 0 306.498 4.225 1 0 DIAFRO Cc1c(C2CC[NH2+]CC2)ccnc1OCc1ccccc1Cl ZINC000040916880 183147841 /nfs/dbraw/zinc/14/78/41/183147841.db2.gz ZKNOUBNBCVPCGE-UHFFFAOYSA-N 1 0 316.832 4.089 1 0 DIAFRO c1ccc(-c2cc3ccncc3cc2OC2CC[NH2+]CC2)cc1 ZINC000040938142 183149732 /nfs/dbraw/zinc/14/97/32/183149732.db2.gz UTYBUUVNQWMPHL-UHFFFAOYSA-N 1 0 304.393 4.033 1 0 DIAFRO Cc1ccc2cc(C(=O)[C@H]3C[NH+]=C4C=CC=C(C)N4C3)ccc2c1 ZINC000043069879 183333920 /nfs/dbraw/zinc/33/39/20/183333920.db2.gz KBDRFGALNZIZQZ-IBGZPJMESA-N 1 0 316.404 4.135 1 0 DIAFRO Oc1cccc([C@@]23CC[C@@H](C2)[N@H+](CCc2cccs2)CC3)c1 ZINC000060163770 184145296 /nfs/dbraw/zinc/14/52/96/184145296.db2.gz LFFNEDXLQHJJRP-QFBILLFUSA-N 1 0 313.466 4.192 1 0 DIAFRO CCC[C@@H]([NH3+])c1ccc2sc(-c3ccnc(N)n3)c(C)c2c1 ZINC000049036467 581097111 /nfs/dbraw/zinc/09/71/11/581097111.db2.gz POPPTVCPKRFFPU-CYBMUJFWSA-N 1 0 312.442 4.049 1 0 DIAFRO Clc1ccc([C@@H](Oc2ccccc2)C2C[NH2+]C2)cc1Cl ZINC000095554494 185379771 /nfs/dbraw/zinc/37/97/71/185379771.db2.gz AUFQHHZWHFPPAA-MRXNPFEDSA-N 1 0 308.208 4.333 1 0 DIAFRO Cc1ccc(Sc2c(C)cccc2N2CC[NH2+]CC2)c(C)c1 ZINC000095563967 185380157 /nfs/dbraw/zinc/38/01/57/185380157.db2.gz CZXYEUKDTXJZAI-UHFFFAOYSA-N 1 0 312.482 4.173 1 0 DIAFRO CC(C)c1c(O)ccc2c1CC[C@H]1C(C)(C)[C@@H]([NH3+])CC[C@]21C ZINC000095577133 185380789 /nfs/dbraw/zinc/38/07/89/185380789.db2.gz VYDUHNKKSRVRNA-ABSDTBQOSA-N 1 0 301.474 4.483 1 0 DIAFRO Fc1ccc(F)c(O[C@@H](c2ccccc2)[C@@H]2CC[NH2+]C2)c1Cl ZINC000095587103 185381854 /nfs/dbraw/zinc/38/18/54/185381854.db2.gz DPINDTNFGDXWLU-WBMJQRKESA-N 1 0 323.770 4.348 1 0 DIAFRO COc1cc(Cl)ccc1O[C@@H](c1ccccc1)[C@H]1CC[NH2+]C1 ZINC000095588860 185381920 /nfs/dbraw/zinc/38/19/20/185381920.db2.gz GIKANUDLIOICAL-KSSFIOAISA-N 1 0 317.816 4.078 1 0 DIAFRO C[C@]12CC[C@H]3[C@@H](CC=C4CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2[C@@H]1C[NH2+]1 ZINC000095607502 185382778 /nfs/dbraw/zinc/38/27/78/185382778.db2.gz IRGXYIWQWVWOAI-UJPCIWJBSA-N 1 0 313.485 4.106 1 0 DIAFRO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+]2C2CCCCC2)c(C)c1 ZINC000096927495 185392019 /nfs/dbraw/zinc/39/20/19/185392019.db2.gz LWTXEZWDZHNNDE-GOSISDBHSA-N 1 0 300.446 4.039 1 0 DIAFRO COc1cc(N[C@H](C)CCC[NH3+])c2nccc(C=C(C)C)c2c1 ZINC000169325833 197741939 /nfs/dbraw/zinc/74/19/39/197741939.db2.gz BXUDXTUGDHBKAK-CQSZACIVSA-N 1 0 313.445 4.206 1 0 DIAFRO CC[C@@H](C)[C@H]([NH3+])c1nc2ccccc2n1Cc1cccc(C)c1 ZINC000072116710 191038623 /nfs/dbraw/zinc/03/86/23/191038623.db2.gz GUMRAHCFVIDKPI-BEFAXECRSA-N 1 0 307.441 4.439 1 0 DIAFRO CCC[NH+](CCC)Cc1cc(=O)oc2cc(OC)c(Cl)cc12 ZINC000072122055 191040971 /nfs/dbraw/zinc/04/09/71/191040971.db2.gz FPHUIXIPIOFQFJ-UHFFFAOYSA-N 1 0 323.820 4.077 3 0 DIAFRO C[NH+](C)CCOc1ccc(Cc2c(O)ccc3ccccc32)cc1 ZINC000072178980 191070555 /nfs/dbraw/zinc/07/05/55/191070555.db2.gz FFSHDKHYNHBQLS-UHFFFAOYSA-N 1 0 321.420 4.077 1 0 DIAFRO O[C@@H](CSc1ccc2ccccc2c1)C[NH+]1CCCCCC1 ZINC000084688870 192455549 /nfs/dbraw/zinc/45/55/49/192455549.db2.gz KTXJOHGKASOSTH-GOSISDBHSA-N 1 0 315.482 4.169 1 0 DIAFRO Cc1cc(C[NH+]2CCC3(CC2)OCCc2sccc23)oc1C ZINC000084690888 192457842 /nfs/dbraw/zinc/45/78/42/192457842.db2.gz XZDQMAQMKQPZDU-UHFFFAOYSA-N 1 0 317.454 4.022 1 0 DIAFRO C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CC[N@@H+]2Cc1ccccc1 ZINC000006031760 181306958 /nfs/dbraw/zinc/30/69/58/181306958.db2.gz RPMPAQXGZYLEST-NQERJWCQSA-N 1 0 307.437 4.117 1 0 DIAFRO Fc1cccc(O[C@H](c2cccc(F)c2)C2CC[NH2+]CC2)c1 ZINC000013530912 181858832 /nfs/dbraw/zinc/85/88/32/181858832.db2.gz STYXBCSSCAAJQI-SFHVURJKSA-N 1 0 303.352 4.085 1 0 DIAFRO C[NH+](C)C[C@@H]1C[C@@H]2c3ccccc3Oc3ccc(F)cc3[C@H]2O1 ZINC000013611459 181868866 /nfs/dbraw/zinc/86/88/66/181868866.db2.gz LGHLMADLDHUIJY-OHNRDTAOSA-N 1 0 313.372 4.107 1 0 DIAFRO C[NH2+][C@@H](Cc1ccc(C(F)(F)F)cc1N)c1sccc1C ZINC000013738507 181886765 /nfs/dbraw/zinc/88/67/65/181886765.db2.gz RHFVNDDTVOFOEK-ZDUSSCGKSA-N 1 0 314.376 4.161 1 0 DIAFRO C[C@H](CCN1C(Nc2ccccc2)=[NH+]C[C@@H]1C)c1ccccc1 ZINC000015924643 182024733 /nfs/dbraw/zinc/02/47/33/182024733.db2.gz BNTVFKMIWKZCKS-SJORKVTESA-N 1 0 307.441 4.352 3 0 DIAFRO Oc1ccc2c(c1)[C@@H]1CCC[N@H+](CCc3ccccc3)[C@H]1CC2 ZINC000026262955 182435141 /nfs/dbraw/zinc/43/51/41/182435141.db2.gz CEGKVZBKRKDYNI-FPOVZHCZSA-N 1 0 307.437 4.129 1 0 DIAFRO [NH3+][C@@H](c1ccccc1)c1cccc(N2CCc3ccccc32)c1 ZINC000027854283 182493211 /nfs/dbraw/zinc/49/32/11/182493211.db2.gz LLCAGLZCMMMSMN-NRFANRHFSA-N 1 0 300.405 4.429 1 0 DIAFRO CSc1ccccc1C[C@H]1[NH2+]CCc2c3ccccc3[nH]c21 ZINC000028889430 182544375 /nfs/dbraw/zinc/54/43/75/182544375.db2.gz WMZQUSIXJTZPOX-QGZVFWFLSA-N 1 0 308.450 4.319 1 0 DIAFRO C[NH+](C)[C@@H]1CCc2[nH]c3ccc(Oc4ccccc4)cc3c2C1 ZINC000039214027 183014811 /nfs/dbraw/zinc/01/48/11/183014811.db2.gz UCGSCYDUXJUXTP-CQSZACIVSA-N 1 0 306.409 4.379 1 0 DIAFRO C[NH+](C)Cc1ccccc1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000040845226 183141055 /nfs/dbraw/zinc/14/10/55/183141055.db2.gz RYTIZBPXUHTIDS-UHFFFAOYSA-N 1 0 308.208 4.286 1 0 DIAFRO COc1cc2cc(C)[n+](-c3cccc(C)c3C)c(C)c2c(OC)c1 ZINC000040933434 183149305 /nfs/dbraw/zinc/14/93/05/183149305.db2.gz DFXYHMCYVNUAFK-UHFFFAOYSA-N 1 0 322.428 4.367 1 0 DIAFRO COc1ccc(Oc2ccc(SC)cc2)c(C[NH+](C)C)c1 ZINC000040950996 183150637 /nfs/dbraw/zinc/15/06/37/183150637.db2.gz WOCZQLIXSZXEQA-UHFFFAOYSA-N 1 0 303.427 4.271 1 0 DIAFRO C[NH2+]C[C@@H]1C[C@@]1(Oc1cccc2ccccc21)c1cccs1 ZINC000042967024 183324331 /nfs/dbraw/zinc/32/43/31/183324331.db2.gz YFHROOMCIQOYDA-KXBFYZLASA-N 1 0 309.434 4.415 1 0 in-vitro DIAFRO Cc1ccc2cc(C(=O)[C@@H]3C[NH+]=C4C=C(C)C=CN4C3)ccc2c1 ZINC000043122112 183339379 /nfs/dbraw/zinc/33/93/79/183339379.db2.gz DJTIRUGMSOSCKU-LJQANCHMSA-N 1 0 316.404 4.135 1 0 DIAFRO NC(=[NH2+])c1ccc2[nH]c(-c3cc(Cl)cc(Cl)c3)cc2c1 ZINC000043077747 183334356 /nfs/dbraw/zinc/33/43/56/183334356.db2.gz JCBHQFPCRXSRPZ-UHFFFAOYSA-N 1 0 304.180 4.426 1 0 DIAFRO OC[C@H](c1ccccc1)[C@H]1CCCC[N@@H+]1CCCc1ccccc1 ZINC000064437779 184296982 /nfs/dbraw/zinc/29/69/82/184296982.db2.gz QQICWLNJJOCDRX-FGZHOGPDSA-N 1 0 323.480 4.250 1 0 in-vivo DIAFRO Cc1ccc(CN[C@@H]2CCCC[C@@H]2[NH2+]Cc2ccc(C)cc2)cc1 ZINC000066073802 184386959 /nfs/dbraw/zinc/38/69/59/184386959.db2.gz BYADEOIPYZCPKB-SZPZYZBQSA-N 1 0 322.496 4.494 1 0 DIAFRO Fc1cccc(Oc2ccccc2Cl)c1O[C@H]1CC[NH2+]C1 ZINC000066263468 184399745 /nfs/dbraw/zinc/39/97/45/184399745.db2.gz UNWRSVCWVWOSPV-NSHDSACASA-N 1 0 307.752 4.012 1 0 DIAFRO C[NH2+]CCC[C@]1(C)Cc2ccccc2N(c2ccc(C)cc2)C1=O ZINC000028526941 134670928 /nfs/dbraw/zinc/67/09/28/134670928.db2.gz FKPQTOXELNJTMQ-OAQYLSRUSA-N 1 0 322.452 4.222 1 0 DIAFRO C[C@@H]1N=C[C@]23CC[C@H]4[C@@H](CC[C@H]5C[C@@H]([NH3+])CC[C@@]54C)[C@@H]2CC[C@H]13 ZINC000038259650 560086342 /nfs/dbraw/zinc/08/63/42/560086342.db2.gz OWJXANQNZAVDIW-XLVUHOLYSA-N 1 0 314.517 4.426 1 0 biogenic,in-vitro DIAFRO CSC[C@@H](c1ccc(Cl)c(Cl)c1)C1CC[NH2+]CC1 ZINC000096914788 185391153 /nfs/dbraw/zinc/39/11/53/185391153.db2.gz MCCAWZYTZTWQBW-GFCCVEGCSA-N 1 0 304.286 4.440 1 0 DIAFRO O[C@@H](C[C@@H]1CCC[NH2+]1)c1cc(-c2ccccc2)nc2ccccc21 ZINC000169334832 197742943 /nfs/dbraw/zinc/74/29/43/197742943.db2.gz OSDGIWOAIDVWKG-KKSFZXQISA-N 1 0 318.420 4.077 1 0 DIAFRO Clc1ccc(CC2=[NH+]CCN2Cc2ccc(Cl)cc2)cc1 ZINC000103198140 185437928 /nfs/dbraw/zinc/43/79/28/185437928.db2.gz BTIVVBDCIBAGIA-UHFFFAOYSA-N 1 0 319.235 4.450 1 0 DIAFRO c1csc(-c2nc(C[NH2+]C34CC5CC(CC(C5)C3)C4)co2)c1 ZINC000072102376 191036984 /nfs/dbraw/zinc/03/69/84/191036984.db2.gz WYXMSBPXWMMJEK-UHFFFAOYSA-N 1 0 314.454 4.462 1 0 DIAFRO CC[C@@H](C)[C@H]([NH3+])c1nc2ccccc2n1Cc1cccc(OC)c1 ZINC000072118016 191039305 /nfs/dbraw/zinc/03/93/05/191039305.db2.gz MXIZNOFWMHMTBE-KUHUBIRLSA-N 1 0 323.440 4.139 1 0 DIAFRO CCC(C)(C)c1[nH]c2cc(Br)ccc2c1CC[NH2+]C ZINC000072127579 191043688 /nfs/dbraw/zinc/04/36/88/191043688.db2.gz QGRVPKVURRJLGF-UHFFFAOYSA-N 1 0 323.278 4.380 1 0 DIAFRO Cc1c2c(c(C)c(O)c1C)[C@H](C[NH+]1CCCCC1)C(C)(C)O2 ZINC000003798023 181046254 /nfs/dbraw/zinc/04/62/54/181046254.db2.gz JDJVOZAVKZQJTG-HNNXBMFYSA-N 1 0 303.446 4.058 1 0 DIAFRO C[NH+](C)C[C@@H](c1ccc(Cl)c(Cl)c1)C1(O)CCCCC1 ZINC000005958007 181300859 /nfs/dbraw/zinc/30/08/59/181300859.db2.gz HQDDGGHOUMUWTG-ZDUSSCGKSA-N 1 0 316.272 4.334 1 0 DIAFRO COc1cc2ccc(C(C)(C)C)nc2c(N[C@@H](C)CCC[NH3+])c1 ZINC000009294020 181611785 /nfs/dbraw/zinc/61/17/85/181611785.db2.gz IDSOIRUIKYGAHY-ZDUSSCGKSA-N 1 0 315.461 4.080 1 0 DIAFRO C[C@@H](Cc1ccc(O)cc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000013825283 181903303 /nfs/dbraw/zinc/90/33/03/181903303.db2.gz CLOYGOHFEGFPSR-KRWDZBQOSA-N 1 0 309.453 4.278 1 0 DIAFRO C[NH+](C)C[C@@H]1CCCCN1C1c2ccccc2Oc2ccccc21 ZINC000028235738 182515051 /nfs/dbraw/zinc/51/50/51/182515051.db2.gz TUEYNBNDLGGVJN-INIZCTEOSA-N 1 0 322.452 4.298 1 0 DIAFRO CC[C@]1(CCCC[NH+]2CCC(C)CC2)c2ccccc2NC1=O ZINC000029053247 182550396 /nfs/dbraw/zinc/55/03/96/182550396.db2.gz ZPTADUDQVHZAOE-FQEVSTJZSA-N 1 0 314.473 4.189 1 0 DIAFRO CN(CCC[NH+](C)C)c1cc(-c2ccccc2)c2ccccc2n1 ZINC000029205080 182555513 /nfs/dbraw/zinc/55/55/13/182555513.db2.gz MGWQJRQJLGIOSC-UHFFFAOYSA-N 1 0 319.452 4.290 1 0 DIAFRO c1ccc(-c2cc3ccncc3cc2O[C@@H]2CCC[NH2+]C2)cc1 ZINC000040379978 183058048 /nfs/dbraw/zinc/05/80/48/183058048.db2.gz QRYICOPVFJOJAO-GOSISDBHSA-N 1 0 304.393 4.033 1 0 DIAFRO [NH3+][C@H](Cc1cc(F)ccc1F)c1ccc(-c2ccncc2)cc1 ZINC000040395630 183060696 /nfs/dbraw/zinc/06/06/96/183060696.db2.gz HIXXCYWJKRZOBR-LJQANCHMSA-N 1 0 310.347 4.269 1 0 DIAFRO C[NH2+]C[C@H]1Cc2ccccc2[C@@H]1Oc1cccc2ccccc21 ZINC000040424399 183065377 /nfs/dbraw/zinc/06/53/77/183065377.db2.gz VPTOWUWJWIVXIJ-DYESRHJHSA-N 1 0 303.405 4.352 1 0 DIAFRO C[NH+](C)Cc1ccccc1Oc1ccc(Br)cc1 ZINC000040845106 183141255 /nfs/dbraw/zinc/14/12/55/183141255.db2.gz OLYZEORLRJZNQC-UHFFFAOYSA-N 1 0 306.203 4.303 1 0 DIAFRO CCc1ccc(-[n+]2c(C)cc3cc(OC)cc(OC)c3c2C)cc1 ZINC000040933662 183149408 /nfs/dbraw/zinc/14/94/08/183149408.db2.gz VARQJHSUUZMPIT-UHFFFAOYSA-N 1 0 322.428 4.313 1 0 DIAFRO c1ccc(-c2cc3ccncc3cc2OC[C@H]2CCC[NH2+]C2)cc1 ZINC000040938695 183149710 /nfs/dbraw/zinc/14/97/10/183149710.db2.gz IGEXQLRNXKQBQI-INIZCTEOSA-N 1 0 318.420 4.280 1 0 DIAFRO Fc1ccc(CN(c2ccc3[nH]ccc3c2)C2CC[NH2+]CC2)cc1 ZINC000043064011 183333506 /nfs/dbraw/zinc/33/35/06/183333506.db2.gz LHPQIFURGZJMMZ-UHFFFAOYSA-N 1 0 323.415 4.066 1 0 DIAFRO Fc1ccc(-c2[nH]cc(C3CC[NH2+]CC3)c2-c2ccncc2)cc1 ZINC000043080763 183335415 /nfs/dbraw/zinc/33/54/15/183335415.db2.gz JHQCFWJYMBINJL-UHFFFAOYSA-N 1 0 321.399 4.350 1 0 DIAFRO CCCC[n+]1ccc2c(c1)[nH]c1ccc(Br)cc12 ZINC000045337928 183498109 /nfs/dbraw/zinc/49/81/09/183498109.db2.gz RDLXWEMRXOSGML-UHFFFAOYSA-O 1 0 304.211 4.171 1 0 DIAFRO Oc1ccc2[nH]c3c(c2c1)C[N@H+](CCCCc1ccccc1)CC3 ZINC000058575349 184122522 /nfs/dbraw/zinc/12/25/22/184122522.db2.gz TYXFIOJWAGUFSC-UHFFFAOYSA-N 1 0 320.436 4.255 1 0 DIAFRO C[NH+](C)[C@H]1CC[C@@H](c2c[nH]c3ccc(Br)cc32)C1 ZINC000064446746 184297021 /nfs/dbraw/zinc/29/70/21/184297021.db2.gz IOVINFXTGPGPQP-PWSUYJOCSA-N 1 0 307.235 4.128 1 0 DIAFRO C[NH2+]CC[C@H]1O[C@@H](c2ccc(Cl)cc2)Cc2ccccc21 ZINC000064454047 184297587 /nfs/dbraw/zinc/29/75/87/184297587.db2.gz XIDONAJYIQWYMK-QZTJIDSGSA-N 1 0 301.817 4.305 1 0 DIAFRO Fc1cccc(Oc2ccccc2Cl)c1O[C@@H]1CC[NH2+]C1 ZINC000066263465 184399789 /nfs/dbraw/zinc/39/97/89/184399789.db2.gz UNWRSVCWVWOSPV-LLVKDONJSA-N 1 0 307.752 4.012 1 0 DIAFRO CC[N@@H+]1CC[C@@H]2[C@@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1 ZINC000026181008 581095138 /nfs/dbraw/zinc/09/51/38/581095138.db2.gz DCXLHWFMDVQZEU-PKOBYXMFSA-N 1 0 314.379 4.294 1 0 DIAFRO Clc1ccc([C@H](OCc2ccccc2)C2C[NH2+]C2)cc1Cl ZINC000095557675 185379632 /nfs/dbraw/zinc/37/96/32/185379632.db2.gz NPOJMGQPZAJVDH-KRWDZBQOSA-N 1 0 322.235 4.471 1 0 DIAFRO Fc1ccc(Oc2cncc(C3=C[C@@H]4C[NH2+]C[C@H](C3)C4)c2)cc1 ZINC000095572868 185380561 /nfs/dbraw/zinc/38/05/61/185380561.db2.gz OHTDTNHLFFCQRH-KGLIPLIRSA-N 1 0 310.372 4.026 1 0 DIAFRO C[NH+](C)CCCCn1c(=O)cc(-c2ccccc2)c2ccccc21 ZINC000095588609 185381918 /nfs/dbraw/zinc/38/19/18/185381918.db2.gz LDBMUQDPXOKDNU-UHFFFAOYSA-N 1 0 320.436 4.010 1 0 DIAFRO CCC[NH+](CCC)Cc1cc(=O)oc2cc(C)c(Cl)cc12 ZINC000095600305 185382351 /nfs/dbraw/zinc/38/23/51/185382351.db2.gz AYNHDCCEIPJEDG-UHFFFAOYSA-N 1 0 307.821 4.377 3 0 DIAFRO C[NH+](C)CCCc1c[nH]c2ccc(OCc3ccccc3)cc12 ZINC000095607640 185382763 /nfs/dbraw/zinc/38/27/63/185382763.db2.gz QAMMMHPYPGIPLO-UHFFFAOYSA-N 1 0 308.425 4.241 1 0 DIAFRO COc1ccc(-c2cc([C@H]3C[C@@H]4CC[C@H]3[NH2+]4)cnc2Cl)cc1 ZINC000049111966 190678117 /nfs/dbraw/zinc/67/81/17/190678117.db2.gz OMWWFOOPCXJPLJ-YSVLISHTSA-N 1 0 314.816 4.019 1 0 DIAFRO CC[C@@H](C)[C@H]([NH3+])c1nc2ccccc2n1Cc1cccc(F)c1 ZINC000072118853 191038701 /nfs/dbraw/zinc/03/87/01/191038701.db2.gz MUHVFGNVDLXJFQ-ACJLOTCBSA-N 1 0 311.404 4.270 1 0 DIAFRO C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]Cc1coc(-c2cccc(F)c2)n1 ZINC000072185401 191073236 /nfs/dbraw/zinc/07/32/36/191073236.db2.gz WHJHXMHDRVHNNE-AHIWAGSCSA-N 1 0 302.393 4.395 1 0 DIAFRO C[C@@H]1c2c3cc(C(F)(F)F)ccc3[nH]c2C[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000073167658 191287670 /nfs/dbraw/zinc/28/76/70/191287670.db2.gz BJYHYLQKUMWFQA-MISXGVKJSA-N 1 0 322.374 4.414 1 0 DIAFRO [NH2+]=c1c2c(n(Cc3ccccc3Cl)c3c1CCCC3)CCC2 ZINC000005003441 181188958 /nfs/dbraw/zinc/18/89/58/181188958.db2.gz DZVPRKKASZFBKH-UHFFFAOYSA-N 1 0 312.844 4.037 1 0 DIAFRO Fc1cccc([C@H](Oc2ccccc2F)C2CC[NH2+]CC2)c1 ZINC000013530909 181858420 /nfs/dbraw/zinc/85/84/20/181858420.db2.gz CGFGPOSORWVEJK-GOSISDBHSA-N 1 0 303.352 4.085 1 0 DIAFRO CCC[NH+](CCC)[C@@H]1CCc2cccc(C(=O)OC)c2[C@@H]1C ZINC000013740180 181887532 /nfs/dbraw/zinc/88/75/32/181887532.db2.gz ZXWIDAPGUOZUDB-RHSMWYFYSA-N 1 0 303.446 4.014 1 0 DIAFRO Cc1cc(C)cc(COCC2(c3ccccc3)CC[NH2+]CC2)c1 ZINC000013740976 181887577 /nfs/dbraw/zinc/88/75/77/181887577.db2.gz ONQZWYLATDSONC-UHFFFAOYSA-N 1 0 309.453 4.141 1 0 DIAFRO CCC[C@@H]1N2CCc3c4ccccc4[nH]c3[C@H]2[C@H]2CCCC[N@H+]12 ZINC000019328496 182116362 /nfs/dbraw/zinc/11/63/62/182116362.db2.gz VZHGEXFEHRBJJW-WSTZPKSXSA-N 1 0 309.457 4.061 1 0 DIAFRO Cc1ccc2c(c1)cc(-c1ccccc1Cl)nc2NCC[NH3+] ZINC000027438419 182472612 /nfs/dbraw/zinc/47/26/12/182472612.db2.gz XONAKFNQTIPOGF-UHFFFAOYSA-N 1 0 311.816 4.234 1 0 DIAFRO C[NH+](C)C[C@H]1CCc2cccc3c4c(n1c32)-c1ccccc1CC4 ZINC000028092569 182507838 /nfs/dbraw/zinc/50/78/38/182507838.db2.gz FNBAHUNVBYUTFN-QGZVFWFLSA-N 1 0 316.448 4.456 1 0 DIAFRO C[NH+]1CCC2(CN(c3ccccc3Cl)c3ccccc32)CC1 ZINC000028104152 182508312 /nfs/dbraw/zinc/50/83/12/182508312.db2.gz FCOKTVVKRPCHAN-UHFFFAOYSA-N 1 0 312.844 4.455 1 0 DIAFRO Clc1ccc(C(c2ccc(Cl)cc2)=C2CNC=[NH+]C2)cc1 ZINC000028768684 182538305 /nfs/dbraw/zinc/53/83/05/182538305.db2.gz IUBVPBBAHSKDPN-UHFFFAOYSA-N 1 0 317.219 4.427 1 0 DIAFRO COc1cccc([C@@]2(OCC3CC3)CCCC[C@@H]2C[NH+](C)C)c1 ZINC000029128462 182552968 /nfs/dbraw/zinc/55/29/68/182552968.db2.gz XACDGGGJRPPGDU-QUCCMNQESA-N 1 0 317.473 4.069 1 0 DIAFRO C[NH+](C)[C@H]1CCc2[nH]c3ccc(Oc4ccccc4)cc3c2C1 ZINC000039214028 183014863 /nfs/dbraw/zinc/01/48/63/183014863.db2.gz UCGSCYDUXJUXTP-AWEZNQCLSA-N 1 0 306.409 4.379 1 0 DIAFRO CCn1c2cc[nH+]cc2c2cc(NC(=O)c3ccccc3)ccc21 ZINC000040401359 183061605 /nfs/dbraw/zinc/06/16/05/183061605.db2.gz YMBSSFSYNMSDPT-UHFFFAOYSA-N 1 0 315.376 4.462 1 0 DIAFRO CC[C@@]12CCC[N@@H+]3CC[C@]4(c5cccc(OC)c5N=C4CC1)[C@H]32 ZINC000040413221 183063134 /nfs/dbraw/zinc/06/31/34/183063134.db2.gz DHWZKWGXKRMCON-VAMGGRTRSA-N 1 0 310.441 4.077 1 0 DIAFRO CCCc1cc(N)c2cc(NC(=O)c3ccccc3)ccc2[nH+]1 ZINC000040828296 183138352 /nfs/dbraw/zinc/13/83/52/183138352.db2.gz UIOACTUIZNQUSI-UHFFFAOYSA-N 1 0 305.381 4.022 1 0 DIAFRO C[NH+](C)C12C[C@@H](O)C([C@H](c3ccccc3)C1)[C@@H](c1ccccc1)C2 ZINC000040752848 183128677 /nfs/dbraw/zinc/12/86/77/183128677.db2.gz KLESOODJLAUDNH-PNLSILQLSA-N 1 0 321.464 4.029 1 0 DIAFRO CC(C)NC(=[NH2+])c1ccc2nc(Nc3ccccc3)sc2c1 ZINC000040898054 183147014 /nfs/dbraw/zinc/14/70/14/183147014.db2.gz PLMBIVFEZOUZKG-UHFFFAOYSA-N 1 0 310.426 4.363 1 0 DIAFRO C[NH+](C)Cc1ccccc1Cc1ccc(OC(F)(F)F)cc1 ZINC000040951721 183150538 /nfs/dbraw/zinc/15/05/38/183150538.db2.gz KEIRXXIACQJSMU-UHFFFAOYSA-N 1 0 309.331 4.238 1 0 DIAFRO C[NH2+]C[C@H]1C[C@@]1(Oc1cccc2ccccc21)c1cccs1 ZINC000042967026 183324373 /nfs/dbraw/zinc/32/43/73/183324373.db2.gz YFHROOMCIQOYDA-BEFAXECRSA-N 1 0 309.434 4.415 1 0 in-vitro DIAFRO C[NH2+]CCCc1c[nH]c(-c2ccc(F)cc2)c1-c1ccncc1 ZINC000043020079 183328330 /nfs/dbraw/zinc/32/83/30/183328330.db2.gz VXTIPLCONRADHR-UHFFFAOYSA-N 1 0 309.388 4.035 1 0 DIAFRO Clc1ccc2c(c1)nccc2N[C@H]1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000058540992 184122006 /nfs/dbraw/zinc/12/20/06/184122006.db2.gz KLKJQBUBZUGHLD-LSDHHAIUSA-N 1 0 315.848 4.317 1 0 DIAFRO CSc1ccc(C[N@@H+]2CC[C@](C)(Oc3ccccc3)C2)cc1 ZINC000061925686 184195939 /nfs/dbraw/zinc/19/59/39/184195939.db2.gz BVXODFZMSNMCCZ-IBGZPJMESA-N 1 0 313.466 4.452 3 0 DIAFRO c1ccc([C@H]2CNCC[N@H+]2CCc2cccc3ccccc32)cc1 ZINC000061948899 184198377 /nfs/dbraw/zinc/19/83/77/184198377.db2.gz BLYUFDKMAQNQNY-JOCHJYFZSA-N 1 0 316.448 4.029 3 0 DIAFRO Cc1ccc(CN[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C)cc2)cc1 ZINC000066073804 184386830 /nfs/dbraw/zinc/38/68/30/184386830.db2.gz BYADEOIPYZCPKB-FGZHOGPDSA-N 1 0 322.496 4.494 1 0 DIAFRO CCCC[NH+](CCCC)CCOc1ccc([C@@H](O)C2CC2)cc1 ZINC000066258944 184399320 /nfs/dbraw/zinc/39/93/20/184399320.db2.gz CVRFMLBEOWBFQU-FQEVSTJZSA-N 1 0 319.489 4.411 1 0 DIAFRO Clc1ccc([C@@H](OCc2ccccc2)C2C[NH2+]C2)cc1Cl ZINC000095557676 185379732 /nfs/dbraw/zinc/37/97/32/185379732.db2.gz NPOJMGQPZAJVDH-QGZVFWFLSA-N 1 0 322.235 4.471 1 0 DIAFRO Cc1ccc(Sc2ccc(C)cc2N2CC[NH2+]CC2)c(C)c1 ZINC000095563463 185379890 /nfs/dbraw/zinc/37/98/90/185379890.db2.gz WQGOHKFYLWGZBM-UHFFFAOYSA-N 1 0 312.482 4.173 1 0 DIAFRO CCCC/C=C/C=C/C=C/[C@@H]1CC[C@@H](OC(C)=O)[C@H](C)[N@@H+]1C ZINC000095589502 185382087 /nfs/dbraw/zinc/38/20/87/185382087.db2.gz JMQLJAPSKRBPMT-YFKNEZHJSA-N 1 0 305.462 4.260 1 0 DIAFRO O=c1sc2ccccc2n1CCCCC[NH+]1CCCCCC1 ZINC000096916491 185391375 /nfs/dbraw/zinc/39/13/75/185391375.db2.gz SKFFOTGITYTQMB-UHFFFAOYSA-N 1 0 318.486 4.109 1 0 DIAFRO CC(C)(C)c1cc([C@H](O)C[C@H]2CCCC[NH2+]2)c2ccccc2n1 ZINC000169338224 197743722 /nfs/dbraw/zinc/74/37/22/197743722.db2.gz ZHNRZFUOXROQSQ-RDTXWAMCSA-N 1 0 312.457 4.098 1 0 DIAFRO CC(C)C[NH+](Cc1coc(-c2ccc(O)cc2)n1)CC(C)C ZINC000072100913 191036450 /nfs/dbraw/zinc/03/64/50/191036450.db2.gz SDRDFCFHGDAZLH-UHFFFAOYSA-N 1 0 302.418 4.161 1 0 DIAFRO Clc1ccc(-c2nc(C[NH2+][C@@H]3C[C@H]4CC[C@@H]3C4)co2)cc1 ZINC000072100904 191036465 /nfs/dbraw/zinc/03/64/65/191036465.db2.gz AKDFDVCGXYEKST-NORZTCDRSA-N 1 0 302.805 4.273 1 0 DIAFRO CSc1nn(-c2ccccc2)c2c1cccc2C1=CC[NH2+]CC1 ZINC000072178840 191071392 /nfs/dbraw/zinc/07/13/92/191071392.db2.gz UYHHORGXYJWVPD-UHFFFAOYSA-N 1 0 321.449 4.124 1 0 DIAFRO C[C@H]1[C@H]([NH2+]Cc2coc(-c3cccc(F)c3)n2)CCC[C@@H]1C ZINC000072185403 191073781 /nfs/dbraw/zinc/07/37/81/191073781.db2.gz WHJHXMHDRVHNNE-OGHNNQOOSA-N 1 0 302.393 4.395 1 0 DIAFRO Fc1cccc(F)c1[C@H]1SCC2=[NH+]c3ccccc3CN21 ZINC000001862352 180900282 /nfs/dbraw/zinc/90/02/82/180900282.db2.gz IGIRSLLURDRTQA-MRXNPFEDSA-N 1 0 302.349 4.256 1 0 DIAFRO Fc1ccc2c(c1)[nH]c(-c1ccccc1)c2[C@@H]1C[NH2+]CC[C@H]1F ZINC000003934176 181058113 /nfs/dbraw/zinc/05/81/13/181058113.db2.gz NNJNAROWGAKUJQ-HZPDHXFCSA-N 1 0 312.363 4.389 1 0 DIAFRO COc1ccc(/C=C/c2cc(-c3ccc(C)cc3)o[n+]2C)cc1 ZINC000004656162 181132460 /nfs/dbraw/zinc/13/24/60/181132460.db2.gz GCMJZTYDJGPOQW-IZZDOVSWSA-N 1 0 306.385 4.259 3 0 DIAFRO CCC[NH+](CCC)C[C@H]1CCc2ccc3[nH]cc(C=O)c3c2C1 ZINC000013741779 181887520 /nfs/dbraw/zinc/88/75/20/181887520.db2.gz FOBZHDPRCOTEEO-HNNXBMFYSA-N 1 0 312.457 4.207 1 0 DIAFRO CCC[C@H]1N2CCc3c4ccccc4[nH]c3[C@H]2[C@H]2CCCC[N@@H+]21 ZINC000019328491 182116117 /nfs/dbraw/zinc/11/61/17/182116117.db2.gz VZHGEXFEHRBJJW-QWFCFKBJSA-N 1 0 309.457 4.061 1 0 DIAFRO CCCCC[C@@H](O)c1cccc(OCc2cccc(C[NH3+])c2)c1 ZINC000025985131 182426959 /nfs/dbraw/zinc/42/69/59/182426959.db2.gz UKTZXXKSSXDXRD-HXUWFJFHSA-N 1 0 313.441 4.338 1 0 DIAFRO Fc1ccc(C2=CC[N@H+](CCCCc3ccncc3)CC2)cc1 ZINC000026721301 182450667 /nfs/dbraw/zinc/45/06/67/182450667.db2.gz MQHLBMYDUSNRHH-UHFFFAOYSA-N 1 0 310.416 4.333 1 0 DIAFRO CC[NH+](CC)CC/C=C1\c2ccccc2OCc2ncccc21 ZINC000026838643 182455136 /nfs/dbraw/zinc/45/51/36/182455136.db2.gz FOZLANZDWFUPMJ-WJDWOHSUSA-N 1 0 308.425 4.138 1 0 DIAFRO CC(C)C1(O)CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000028817131 182539891 /nfs/dbraw/zinc/53/98/91/182539891.db2.gz BOIJUJOJZXIYHU-UHFFFAOYSA-N 1 0 309.453 4.259 1 0 in-vivo DIAFRO Fc1ccc([C@@H]2CC[NH2+]C[C@H]2CSc2ccccc2)cc1 ZINC000029040441 182548951 /nfs/dbraw/zinc/54/89/51/182548951.db2.gz OYLWLXLFHDTQJX-YJBOKZPZSA-N 1 0 301.430 4.311 1 0 DIAFRO O[C@@H](c1cc(-c2ccccc2)nc2ccccc21)[C@H]1CCCC[NH2+]1 ZINC000100675583 193803331 /nfs/dbraw/zinc/80/33/31/193803331.db2.gz LUULWIBHAHZGLU-CTNGQTDRSA-N 1 0 318.420 4.077 1 0 DIAFRO CCC1=[NH+]c2ccccc2C[C@H](c2ccc(OC)c(OC)c2)N1C ZINC000100888825 193805791 /nfs/dbraw/zinc/80/57/91/193805791.db2.gz PGKPOUSGYKMILF-QGZVFWFLSA-N 1 0 324.424 4.373 1 0 DIAFRO C[NH2+]CCS[C@H]1Cc2ccccc2Sc2ccccc21 ZINC000039291715 183016189 /nfs/dbraw/zinc/01/61/89/183016189.db2.gz KYIGGVYANDLBGC-KRWDZBQOSA-N 1 0 301.480 4.388 1 0 DIAFRO C[NH+](C)[C@H]1CCc2[nH]c3ccc(OCc4ccccc4)cc3c2C1 ZINC000039332164 183017075 /nfs/dbraw/zinc/01/70/75/183017075.db2.gz JMVDTIUUNPLIRU-INIZCTEOSA-N 1 0 320.436 4.166 1 0 DIAFRO C[NH2+]C[C@@H]1SCc2ccccc2[C@@H]1Oc1ccccc1Cl ZINC000040425052 183065415 /nfs/dbraw/zinc/06/54/15/183065415.db2.gz OWDDBNVCYYHRPW-IRXDYDNUSA-N 1 0 319.857 4.295 1 0 DIAFRO COc1ccc(C[NH2+][C@@H](C)Cc2ccc(SC)cc2)cc1 ZINC000040860378 183144074 /nfs/dbraw/zinc/14/40/74/183144074.db2.gz OVFUJYFUTXFFBR-AWEZNQCLSA-N 1 0 301.455 4.138 1 0 DIAFRO CC[C@H]1[C@@H](C)CC[C@]23CC[N@H+](C)[C@H](Cc4ccc(OC)cc42)[C@@H]13 ZINC000040709454 183121984 /nfs/dbraw/zinc/12/19/84/183121984.db2.gz WUTXTDJQZMUNAE-LZLVWJQASA-N 1 0 313.485 4.266 1 0 DIAFRO C[NH+](C)Cc1ccccc1Oc1ccc(OC(F)(F)F)cc1 ZINC000040934167 183148842 /nfs/dbraw/zinc/14/88/42/183148842.db2.gz YZFBWQVFTDRJGQ-UHFFFAOYSA-N 1 0 311.303 4.439 1 0 DIAFRO C[NH2+]C[C@@H]1C[C@]1(Oc1cccc2ccccc21)c1cccs1 ZINC000042967020 183324446 /nfs/dbraw/zinc/32/44/46/183324446.db2.gz YFHROOMCIQOYDA-HNAYVOBHSA-N 1 0 309.434 4.415 1 0 in-vitro DIAFRO Clc1cccc(O[C@@H](c2ccccn2)[C@H]2CC[NH2+]C2)c1Cl ZINC000043059274 183332553 /nfs/dbraw/zinc/33/25/53/183332553.db2.gz KWWVMVUZZJMGRZ-MEDUHNTESA-N 1 0 323.223 4.118 1 0 DIAFRO Cc1ccc2cc(C(=O)[C@H]3C[NH+]=C4C=C(C)C=CN4C3)ccc2c1 ZINC000043122114 183339081 /nfs/dbraw/zinc/33/90/81/183339081.db2.gz DJTIRUGMSOSCKU-IBGZPJMESA-N 1 0 316.404 4.135 1 0 DIAFRO C[C@@H]1CC[C@]23CC[N@H+](CC4CC4)[C@H](Cc4ccc(O)cc42)[C@H]3C1 ZINC000058506671 184120753 /nfs/dbraw/zinc/12/07/53/184120753.db2.gz OZNXNWAXDSEBNZ-OOBDGNPPSA-N 1 0 311.469 4.107 1 0 DIAFRO C[N@@H+]1CCC[C@@](C)(C(=O)Nc2cccc(Oc3ccccc3)c2)C1 ZINC000061904694 184193956 /nfs/dbraw/zinc/19/39/56/184193956.db2.gz HJVHBIYRTHQWDH-HXUWFJFHSA-N 1 0 324.424 4.149 3 0 DIAFRO CC(C)(C)CC[C@@]1(C(=O)c2cc3cc[nH]c3c(F)c2)CC[NH2+]C1 ZINC000062225291 184224287 /nfs/dbraw/zinc/22/42/87/184224287.db2.gz MJCKYDPFUPMINT-LJQANCHMSA-N 1 0 316.420 4.296 1 0 DIAFRO C[NH2+]CC[C@H]1O[C@H](c2ccc(Cl)cc2)Cc2ccccc21 ZINC000064454050 184297722 /nfs/dbraw/zinc/29/77/22/184297722.db2.gz XIDONAJYIQWYMK-MSOLQXFVSA-N 1 0 301.817 4.305 1 0 DIAFRO Clc1cccc(NC2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000066066527 184386166 /nfs/dbraw/zinc/38/61/66/184386166.db2.gz PGKHYLYZXSVXTF-UHFFFAOYSA-N 1 0 314.860 4.459 1 0 DIAFRO CCC[N@H+](CCc1cccs1)[C@@H]1CCc2ccc(O)cc2C1 ZINC000013759816 581094247 /nfs/dbraw/zinc/09/42/47/581094247.db2.gz FKPNKWMJMHRBGE-QGZVFWFLSA-N 1 0 315.482 4.266 1 0 DIAFRO CCC[N@H+](CCc1ccccc1)[C@H]1CCc2ccc(O)cc2C1 ZINC000013759819 581094351 /nfs/dbraw/zinc/09/43/51/581094351.db2.gz NOXSTXNFXDOBON-FQEVSTJZSA-N 1 0 309.453 4.204 1 0 DIAFRO Cc1ccc(Cc2cccc(COc3ccc(C)cc3)[n+]2C)cc1 ZINC000095581736 185381005 /nfs/dbraw/zinc/38/10/05/185381005.db2.gz RECBAPIQLAWINA-UHFFFAOYSA-N 1 0 318.440 4.298 1 0 DIAFRO FC(F)(F)c1ccc(O[C@H](c2ccccc2)[C@H]2CC[NH2+]C2)cc1 ZINC000095585896 185381687 /nfs/dbraw/zinc/38/16/87/185381687.db2.gz LVUBCLOONUNZAC-WMLDXEAASA-N 1 0 321.342 4.435 1 0 DIAFRO CCCC(=O)[C@H](c1ccc(Cl)c(Cl)c1)C1CC[NH2+]CC1 ZINC000096914805 185391163 /nfs/dbraw/zinc/39/11/63/185391163.db2.gz USVNLAGHXZPJSI-INIZCTEOSA-N 1 0 314.256 4.446 1 0 DIAFRO Clc1ccc(COC2(c3ccccc3)C[NH2+]C2)cc1Cl ZINC000096924138 185391842 /nfs/dbraw/zinc/39/18/42/185391842.db2.gz FDAWUMIARKTQIC-UHFFFAOYSA-N 1 0 308.208 4.009 1 0 DIAFRO COc1cccc(Cn2c3ccccc3nc2[C@@H]([NH3+])CC(C)C)c1 ZINC000072116827 191039390 /nfs/dbraw/zinc/03/93/90/191039390.db2.gz ANJCRWYRVLWXPV-KRWDZBQOSA-N 1 0 323.440 4.139 1 0 DIAFRO CC(C)C[C@H]([NH3+])c1nc2ccccc2n1Cc1cccc(F)c1 ZINC000072118948 191039477 /nfs/dbraw/zinc/03/94/77/191039477.db2.gz KIISRJOFPQLALB-INIZCTEOSA-N 1 0 311.404 4.270 1 0 DIAFRO CNc1cc2c(cc1F)nc(Nc1ccccc1C)c1c[nH+]cn12 ZINC000073163409 191286712 /nfs/dbraw/zinc/28/67/12/191286712.db2.gz IBPATAZNVCJILR-UHFFFAOYSA-N 1 0 321.359 4.115 1 0 DIAFRO C[NH+](C)C[C@H](c1ccc(Cl)c(Cl)c1)C1(O)CCCCC1 ZINC000005958033 181300622 /nfs/dbraw/zinc/30/06/22/181300622.db2.gz HQDDGGHOUMUWTG-CYBMUJFWSA-N 1 0 316.272 4.334 1 0 DIAFRO CC(C)=CCN1[C@H](C)Cn2c(=O)[nH]c3cc(Cl)cc(c32)[C@@H]1C ZINC000006488691 181345073 /nfs/dbraw/zinc/34/50/73/181345073.db2.gz DDIGVGXTINKZHL-NEPJUHHUSA-N 1 0 319.836 4.127 1 0 DIAFRO C[C@H](Cc1ccc(O)cc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000013825285 181903474 /nfs/dbraw/zinc/90/34/74/181903474.db2.gz CLOYGOHFEGFPSR-QGZVFWFLSA-N 1 0 309.453 4.278 1 0 DIAFRO CC[NH+](CC)CCC[C@@H](C)Nc1nc2ccccc2n2cccc12 ZINC000026162540 182431974 /nfs/dbraw/zinc/43/19/74/182431974.db2.gz XFCKCKURZSMXHE-MRXNPFEDSA-N 1 0 324.472 4.410 1 0 DIAFRO O[C@H]1CCCC[C@H]1[NH+]1CCC(CCCc2ccccc2)CC1 ZINC000028239314 182515915 /nfs/dbraw/zinc/51/59/15/182515915.db2.gz DXQDZAPFSJPOKB-UXHICEINSA-N 1 0 301.474 4.025 1 0 DIAFRO CCCCO[C@]1(c2cccc(OC)c2)CCCC[C@@H]1C[NH+](C)C ZINC000029128464 182552527 /nfs/dbraw/zinc/55/25/27/182552527.db2.gz IXAZZNONZSLTKY-QUCCMNQESA-N 1 0 319.489 4.459 1 0 DIAFRO C[NH+](C)[C@@H]1CC[C@@H](c2c[nH]c3cccc(Br)c32)C1 ZINC000034126987 182730054 /nfs/dbraw/zinc/73/00/54/182730054.db2.gz FUAOKZJIRVPWQX-GHMZBOCLSA-N 1 0 307.235 4.128 1 0 DIAFRO CCCCN1C(Nc2ccccc2)=[NH+]C[C@@H]1Cc1ccccc1 ZINC000036386673 182821219 /nfs/dbraw/zinc/82/12/19/182821219.db2.gz VIAHQPRYAPIORN-IBGZPJMESA-N 1 0 307.441 4.182 3 0 DIAFRO C[C@@H]1CCC[N@@H+]1CCc1ccc2nc(-c3ccccn3)ccc2c1 ZINC000038540266 183001519 /nfs/dbraw/zinc/00/15/19/183001519.db2.gz LYWRKVXAAMHTBS-MRXNPFEDSA-N 1 0 317.436 4.324 1 0 DIAFRO C[NH+](C)[C@@H]1CC[C@@H](c2c[nH]c3c2cccc3Br)C1 ZINC000038881689 183012172 /nfs/dbraw/zinc/01/21/72/183012172.db2.gz RRSSQIMFGRNMAA-GHMZBOCLSA-N 1 0 307.235 4.128 1 0 DIAFRO C[NH+](C)[C@H]1CCc2[nH]c3c(cccc3OCc3ccccc3)c2C1 ZINC000039214036 183015111 /nfs/dbraw/zinc/01/51/11/183015111.db2.gz HCBHALNEMYZLFH-INIZCTEOSA-N 1 0 320.436 4.166 1 0 DIAFRO C[NH+](C)C[C@@H](O)[C@@H](c1ccccc1)c1cc(Cl)cc(Cl)c1 ZINC000039245489 183015451 /nfs/dbraw/zinc/01/54/51/183015451.db2.gz RGWIXBUFMCPZBS-SJORKVTESA-N 1 0 324.251 4.048 1 0 DIAFRO COc1cc2cc(C)[n+](-c3ccc(C)cc3C)c(C)c2c(OC)c1 ZINC000040936193 183148863 /nfs/dbraw/zinc/14/88/63/183148863.db2.gz SLPORYJFZAUNFL-UHFFFAOYSA-N 1 0 322.428 4.367 1 0 DIAFRO COc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]Cc1ccccc1 ZINC000040974909 183153850 /nfs/dbraw/zinc/15/38/50/183153850.db2.gz BAZFQYBPKNRXIH-LJQANCHMSA-N 1 0 306.409 4.344 1 0 DIAFRO c1ccc2[nH]c(-c3ccccc3OCC[NH+]3CCCCC3)nc2c1 ZINC000043019622 183329008 /nfs/dbraw/zinc/32/90/08/183329008.db2.gz KRKBNJWOEXWROY-UHFFFAOYSA-N 1 0 321.424 4.095 1 0 DIAFRO CCC1=C[C@H]2Cc3[nH+]c4cc(OC)c(OC)cc4c(N)c3[C@@H](C1)C2 ZINC000045285514 183493764 /nfs/dbraw/zinc/49/37/64/183493764.db2.gz CCSDPCGLZHBBMS-OLZOCXBDSA-N 1 0 324.424 4.220 1 0 DIAFRO Clc1ccc(Cn2cc[n+](Cc3ccc(Cl)cc3)c2)cc1 ZINC000058468559 184119503 /nfs/dbraw/zinc/11/95/03/184119503.db2.gz ADRKBXXBRJHYEG-UHFFFAOYSA-N 1 0 318.227 4.179 1 0 DIAFRO COc1cccc([C@@]23CC[C@@H](C2)[N@H+](CCc2ccccc2)CC3)c1 ZINC000060163832 184144833 /nfs/dbraw/zinc/14/48/33/184144833.db2.gz BAMWSHAXYAHEOR-RBBKRZOGSA-N 1 0 321.464 4.434 1 0 DIAFRO c1ccc2c(c1)cccc2C[C@@H]1CNCC[N@H+]1CC1CCCCC1 ZINC000061711137 184184925 /nfs/dbraw/zinc/18/49/25/184184925.db2.gz VVQZMWXNTUVBQK-OAQYLSRUSA-N 1 0 322.496 4.236 3 0 DIAFRO Cc1cccc(F)c1Oc1cccc(F)c1OC1CC[NH2+]CC1 ZINC000066112443 184390472 /nfs/dbraw/zinc/39/04/72/184390472.db2.gz YIGLINOPTZCHQC-UHFFFAOYSA-N 1 0 319.351 4.196 1 0 DIAFRO c1ccc(Cc2ccc(OCC[N@@H+]3C[C@H]4C=C[C@@H]3CC4)cc2)cc1 ZINC000058640310 581092097 /nfs/dbraw/zinc/09/20/97/581092097.db2.gz NMUGFBLMEOSJGP-LEWJYISDSA-N 1 0 319.448 4.307 1 0 DIAFRO Cc1ccc(OCC[NH2+]CCCOc2ccccc2)cc1Cl ZINC000001545792 581092161 /nfs/dbraw/zinc/09/21/61/581092161.db2.gz FLJUYWJINNZFMZ-UHFFFAOYSA-N 1 0 319.832 4.086 1 0 DIAFRO CCCCCCNC(=O)Oc1ccc2c(c1)[C@H]1C[C@@H]2[N@@H+](C)CC1 ZINC000013737419 581093483 /nfs/dbraw/zinc/09/34/83/581093483.db2.gz KFWGKECULQNZER-KDOFPFPSSA-N 1 0 316.445 4.219 1 0 DIAFRO