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)[C@@H](Cc1ccccc1)[NH2+]CC[NH3+] ZINC000218278139 345744907 /nfs/dbraw/zinc/74/49/07/345744907.db2.gz WGWKINNTZBDCIL-CYBMUJFWSA-N 2 1 206.333 1.802 20 70 BDIDMP CC[C@@](C)(O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000161211182 349399237 /nfs/dbraw/zinc/39/92/37/349399237.db2.gz DNJLPYQXCCNXQR-ZIAGYGMSSA-N 2 1 240.391 1.565 20 70 BDIDMP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H](C)CCOC)C1 ZINC000218651391 134258312 /nfs/dbraw/zinc/25/83/12/134258312.db2.gz VCAIRZKDYJJCIL-RYUDHWBXSA-N 2 1 214.353 1.343 20 70 BDIDMP CC[NH+]1CCC([N@H+](C)CCn2ccnc2)CC1 ZINC000161350826 411294117 /nfs/dbraw/zinc/29/41/17/411294117.db2.gz QRVNJSLWOCDDSU-UHFFFAOYSA-N 2 1 236.363 1.299 20 70 BDIDMP CC[NH+]1CCC([N@@H+](C)CCn2ccnc2)CC1 ZINC000161350826 411294119 /nfs/dbraw/zinc/29/41/19/411294119.db2.gz QRVNJSLWOCDDSU-UHFFFAOYSA-N 2 1 236.363 1.299 20 70 BDIDMP C[N@@H+](CCC[NH+]1CCCCC1)C[C@H](O)C1CC1 ZINC000161465357 538915688 /nfs/dbraw/zinc/91/56/88/538915688.db2.gz QARDEIISHNDYDO-AWEZNQCLSA-N 2 1 240.391 1.565 20 70 BDIDMP C[N@H+](CCC[NH+]1CCCC1)C[C@H]1CCCCO1 ZINC000161449103 349452034 /nfs/dbraw/zinc/45/20/34/349452034.db2.gz AUFGGUQDFAJHDP-CQSZACIVSA-N 2 1 240.391 1.973 20 70 BDIDMP C[N@@H+](CCC[NH+]1CCCC1)C[C@H]1CCCCO1 ZINC000161449103 349452035 /nfs/dbraw/zinc/45/20/35/349452035.db2.gz AUFGGUQDFAJHDP-CQSZACIVSA-N 2 1 240.391 1.973 20 70 BDIDMP OC[C@@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000161253505 349416519 /nfs/dbraw/zinc/41/65/19/349416519.db2.gz YCETYMZPKLDFIP-CQSZACIVSA-N 2 1 240.391 1.567 20 70 BDIDMP CC[C@@](C)(O)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000161105828 384463789 /nfs/dbraw/zinc/46/37/89/384463789.db2.gz QEDCZNFWWCYMOQ-VXGBXAGGSA-N 2 1 214.353 1.031 20 70 BDIDMP CC[C@](C)(O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000161211051 349399001 /nfs/dbraw/zinc/39/90/01/349399001.db2.gz DNJLPYQXCCNXQR-KGLIPLIRSA-N 2 1 240.391 1.565 20 70 BDIDMP C[NH+](C)[C@H](C(=O)NCC(C)(C)[NH3+])c1ccccc1 ZINC000160022942 384378380 /nfs/dbraw/zinc/37/83/80/384378380.db2.gz DRGVYPLFSREJGZ-LBPRGKRZSA-N 2 1 249.358 1.143 20 70 BDIDMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@](C)(O)CC)C1 ZINC000161419343 384487478 /nfs/dbraw/zinc/48/74/78/384487478.db2.gz MJINACIOYSNHCZ-OLZOCXBDSA-N 2 1 228.380 1.421 20 70 BDIDMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@](C)(O)CC)C1 ZINC000161419343 384487483 /nfs/dbraw/zinc/48/74/83/384487483.db2.gz MJINACIOYSNHCZ-OLZOCXBDSA-N 2 1 228.380 1.421 20 70 BDIDMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@](C)(O)CC)C1 ZINC000161419343 384487489 /nfs/dbraw/zinc/48/74/89/384487489.db2.gz MJINACIOYSNHCZ-OLZOCXBDSA-N 2 1 228.380 1.421 20 70 BDIDMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@](C)(O)CC)C1 ZINC000161391394 384999100 /nfs/dbraw/zinc/99/91/00/384999100.db2.gz GDVXPUZILIQSNS-ZIAGYGMSSA-N 2 1 242.407 1.811 20 70 BDIDMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@](C)(O)CC)C1 ZINC000161391394 384999104 /nfs/dbraw/zinc/99/91/04/384999104.db2.gz GDVXPUZILIQSNS-ZIAGYGMSSA-N 2 1 242.407 1.811 20 70 BDIDMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@](C)(O)CC)C1 ZINC000161391394 384999113 /nfs/dbraw/zinc/99/91/13/384999113.db2.gz GDVXPUZILIQSNS-ZIAGYGMSSA-N 2 1 242.407 1.811 20 70 BDIDMP CSCC[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000160042347 388043546 /nfs/dbraw/zinc/04/35/46/388043546.db2.gz RKUIUNXEHOAEFX-SNVBAGLBSA-N 2 1 202.367 1.281 20 70 BDIDMP C[N@@H+](CCCCCCO)C1CC[NH2+]CC1 ZINC000218585033 592164562 /nfs/dbraw/zinc/16/45/62/592164562.db2.gz GGNVVJQBSCZKOH-UHFFFAOYSA-N 2 1 214.353 1.223 20 70 BDIDMP Cc1[nH+]ccn1CCC[N@@H+](C)CC1CC1 ZINC000161428204 349445947 /nfs/dbraw/zinc/44/59/47/349445947.db2.gz BXWHJNFILVBSLK-UHFFFAOYSA-N 2 1 207.321 1.923 20 70 BDIDMP Cc1[nH+]ccn1CCC[N@H+](C)CC1CC1 ZINC000161428204 349445951 /nfs/dbraw/zinc/44/59/51/349445951.db2.gz BXWHJNFILVBSLK-UHFFFAOYSA-N 2 1 207.321 1.923 20 70 BDIDMP C[C@@H]1CCCC[N@H+]1CCCCNC(N)=[NH2+] ZINC000161508053 136277275 /nfs/dbraw/zinc/27/72/75/136277275.db2.gz CLQFBWTYPBNJLM-SNVBAGLBSA-N 2 1 212.341 1.124 20 70 BDIDMP CCC[N@H+](CC)CC[NH2+]CC1(C)COC1 ZINC000217651135 136278105 /nfs/dbraw/zinc/27/81/05/136278105.db2.gz DTTISKZCASKPAH-UHFFFAOYSA-N 2 1 214.353 1.344 20 70 BDIDMP CCC[N@@H+](CC)CC[NH2+]CC1(C)COC1 ZINC000217651135 136278106 /nfs/dbraw/zinc/27/81/06/136278106.db2.gz DTTISKZCASKPAH-UHFFFAOYSA-N 2 1 214.353 1.344 20 70 BDIDMP CN(CC[C@@H]1CCC[N@H+]1C)Cc1cnn(C)c1 ZINC000161304838 349419476 /nfs/dbraw/zinc/41/94/76/349419476.db2.gz QGMYTPQBXXEEON-ZDUSSCGKSA-N 2 1 236.363 1.336 20 70 BDIDMP CC(C)OCC[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000159503273 361241861 /nfs/dbraw/zinc/24/18/61/361241861.db2.gz YHVYZVYHIKVTIX-GHMZBOCLSA-N 2 1 200.326 1.081 20 70 BDIDMP Cc1cc(N[C@H](C)C[NH+]2CCOCC2)cc[nH+]1 ZINC000160917707 178185562 /nfs/dbraw/zinc/18/55/62/178185562.db2.gz RVTOYDCPHVWIPZ-GFCCVEGCSA-N 2 1 235.331 1.523 20 70 BDIDMP CC[C@@H](Cc1ccc(C)cc1)[NH2+]CC[NH3+] ZINC000218286919 345744804 /nfs/dbraw/zinc/74/48/04/345744804.db2.gz HKSOTLKGTUGERG-ZDUSSCGKSA-N 2 1 206.333 1.864 20 70 BDIDMP CC(C)[C@H](Cc1ccccc1)[NH2+]CC[NH3+] ZINC000218278193 350087892 /nfs/dbraw/zinc/08/78/92/350087892.db2.gz WGWKINNTZBDCIL-ZDUSSCGKSA-N 2 1 206.333 1.802 20 70 BDIDMP C[N@H+](CCC[NH+]1CCCCC1)[C@@H]1CCOC1 ZINC000161006553 384467593 /nfs/dbraw/zinc/46/75/93/384467593.db2.gz SQVZVGOUNRFXJX-CYBMUJFWSA-N 2 1 226.364 1.583 20 70 BDIDMP C[N@@H+](CCC[NH+]1CCCCC1)[C@@H]1CCOC1 ZINC000161006553 384467596 /nfs/dbraw/zinc/46/75/96/384467596.db2.gz SQVZVGOUNRFXJX-CYBMUJFWSA-N 2 1 226.364 1.583 20 70 BDIDMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@](C)(O)CC)C1 ZINC000161315005 384964470 /nfs/dbraw/zinc/96/44/70/384964470.db2.gz YOLRWPQHFYBJCG-ZIAGYGMSSA-N 2 1 242.407 1.811 20 70 BDIDMP C[N@H+]1CCC[C@@H]1CCN1CC[NH+](C2CC2)CC1 ZINC000161495945 349465358 /nfs/dbraw/zinc/46/53/58/349465358.db2.gz VCRYJBDEJNUDSA-CYBMUJFWSA-N 2 1 237.391 1.251 20 70 BDIDMP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CC[NH3+] ZINC000218280462 345745042 /nfs/dbraw/zinc/74/50/42/345745042.db2.gz VSOYXVBPPNVRLG-ZDUSSCGKSA-N 2 1 224.323 1.941 20 70 BDIDMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCC(F)(F)F)C1 ZINC000159505113 361241603 /nfs/dbraw/zinc/24/16/03/361241603.db2.gz JZMAPIHAFUACTD-JGVFFNPUSA-N 2 1 210.243 1.608 20 70 BDIDMP CC[C@](C)(O)C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000161274479 384479389 /nfs/dbraw/zinc/47/93/89/384479389.db2.gz MUACZSFLIAYLIY-KBPBESRZSA-N 2 1 242.407 1.954 20 70 BDIDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000160535070 388072936 /nfs/dbraw/zinc/07/29/36/388072936.db2.gz RFFNKVPHQKLESH-RFGFWPKPSA-N 2 1 240.391 1.467 20 70 BDIDMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCC(F)(F)F)C1 ZINC000159505378 361241513 /nfs/dbraw/zinc/24/15/13/361241513.db2.gz JZMAPIHAFUACTD-YUMQZZPRSA-N 2 1 210.243 1.608 20 70 BDIDMP CC[C@H](C)[N@@H+](C)CCN[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000160096050 361298481 /nfs/dbraw/zinc/29/84/81/361298481.db2.gz PDRUZIFOMQHFAQ-MELADBBJSA-N 2 1 241.423 1.647 20 70 BDIDMP CC[C@H](C)[NH+](C)CCN[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000160096050 361298485 /nfs/dbraw/zinc/29/84/85/361298485.db2.gz PDRUZIFOMQHFAQ-MELADBBJSA-N 2 1 241.423 1.647 20 70 BDIDMP CC[C@H](C)[NH+](C)CCN[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000160096050 361298491 /nfs/dbraw/zinc/29/84/91/361298491.db2.gz PDRUZIFOMQHFAQ-MELADBBJSA-N 2 1 241.423 1.647 20 70 BDIDMP CC[C@@H](C)[N@@H+](C)CCN[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000160095940 345797502 /nfs/dbraw/zinc/79/75/02/345797502.db2.gz PDRUZIFOMQHFAQ-BFHYXJOUSA-N 2 1 241.423 1.647 20 70 BDIDMP CC[C@@H](C)[NH+](C)CCN[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000160095940 345797507 /nfs/dbraw/zinc/79/75/07/345797507.db2.gz PDRUZIFOMQHFAQ-BFHYXJOUSA-N 2 1 241.423 1.647 20 70 BDIDMP CC[C@@H](C)[NH+](C)CCN[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000160095940 345797510 /nfs/dbraw/zinc/79/75/10/345797510.db2.gz PDRUZIFOMQHFAQ-BFHYXJOUSA-N 2 1 241.423 1.647 20 70 BDIDMP CN(CC[C@H]1CCC[N@H+]1C)Cc1cnn(C)c1 ZINC000161304921 349419400 /nfs/dbraw/zinc/41/94/00/349419400.db2.gz QGMYTPQBXXEEON-CYBMUJFWSA-N 2 1 236.363 1.336 20 70 BDIDMP C1=CCC([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000159988402 538881050 /nfs/dbraw/zinc/88/10/50/538881050.db2.gz NJQDJLUCHWGFTA-STQMWFEESA-N 2 1 206.333 1.921 20 70 BDIDMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCC(F)(F)F)C1 ZINC000159505520 361243185 /nfs/dbraw/zinc/24/31/85/361243185.db2.gz JZMAPIHAFUACTD-SFYZADRCSA-N 2 1 210.243 1.608 20 70 BDIDMP CC[C@](C)(O)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000161105708 385218869 /nfs/dbraw/zinc/21/88/69/385218869.db2.gz QEDCZNFWWCYMOQ-NEPJUHHUSA-N 2 1 214.353 1.031 20 70 BDIDMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](CO)C1 ZINC000161270014 349413793 /nfs/dbraw/zinc/41/37/93/349413793.db2.gz CAYXBSSAWXMHBI-ZDUSSCGKSA-N 2 1 237.347 1.286 20 70 BDIDMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](CO)C1 ZINC000161270014 349413798 /nfs/dbraw/zinc/41/37/98/349413798.db2.gz CAYXBSSAWXMHBI-ZDUSSCGKSA-N 2 1 237.347 1.286 20 70 BDIDMP CC[N@H+]1CC[C@@H](NC2CC[NH+](C)CC2)[C@H](C)C1 ZINC000161450268 398282268 /nfs/dbraw/zinc/28/22/68/398282268.db2.gz HGFZWJYZCSMVLW-TZMCWYRMSA-N 2 1 239.407 1.401 20 70 BDIDMP CC[N@H+]1CC[C@H](NC2CC[NH+](C)CC2)[C@H](C)C1 ZINC000161450122 398282671 /nfs/dbraw/zinc/28/26/71/398282671.db2.gz HGFZWJYZCSMVLW-OCCSQVGLSA-N 2 1 239.407 1.401 20 70 BDIDMP C[NH2+]CC[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000216840601 345744455 /nfs/dbraw/zinc/74/44/55/345744455.db2.gz DBTNTBBMILEHLQ-UHFFFAOYSA-N 2 1 208.349 1.620 20 70 BDIDMP CC[C@H](C)[N@@H+](C)CCNC1CC[NH2+]CC1 ZINC000217889452 134250480 /nfs/dbraw/zinc/25/04/80/134250480.db2.gz IXWSUMUJXQJFQL-NSHDSACASA-N 2 1 213.369 1.058 20 70 BDIDMP CC(C)[N@H+](CCC[NH+]1CCCCC1)C[C@H](C)O ZINC000161008723 384474854 /nfs/dbraw/zinc/47/48/54/384474854.db2.gz IDGUSBYNEXKSMO-AWEZNQCLSA-N 2 1 242.407 1.954 20 70 BDIDMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](CO)C1 ZINC000161270179 349413235 /nfs/dbraw/zinc/41/32/35/349413235.db2.gz CAYXBSSAWXMHBI-CYBMUJFWSA-N 2 1 237.347 1.286 20 70 BDIDMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](CO)C1 ZINC000161270179 349413237 /nfs/dbraw/zinc/41/32/37/349413237.db2.gz CAYXBSSAWXMHBI-CYBMUJFWSA-N 2 1 237.347 1.286 20 70 BDIDMP CCOCCC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000160594349 388078418 /nfs/dbraw/zinc/07/84/18/388078418.db2.gz VNZICWMZDSALHS-UHFFFAOYSA-N 2 1 240.391 1.973 20 70 BDIDMP C[NH+](C)[C@@H](C(=O)NCC(C)(C)[NH3+])c1ccccc1 ZINC000160022841 172518892 /nfs/dbraw/zinc/51/88/92/172518892.db2.gz DRGVYPLFSREJGZ-GFCCVEGCSA-N 2 1 249.358 1.143 20 70 BDIDMP Cc1ccoc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000161312002 538915426 /nfs/dbraw/zinc/91/54/26/538915426.db2.gz OBPMRRLTESBHGY-QWRGUYRKSA-N 2 1 206.289 1.239 20 70 BDIDMP O[C@@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000161252131 349415699 /nfs/dbraw/zinc/41/56/99/349415699.db2.gz MOSNUUJYNBSDMI-CYBMUJFWSA-N 2 1 226.364 1.319 20 70 BDIDMP O[C@@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000161252131 349415702 /nfs/dbraw/zinc/41/57/02/349415702.db2.gz MOSNUUJYNBSDMI-CYBMUJFWSA-N 2 1 226.364 1.319 20 70 BDIDMP CC[C@](C)(O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000161222653 384933693 /nfs/dbraw/zinc/93/36/93/384933693.db2.gz ZZOAPIMSXOIOIT-OLZOCXBDSA-N 2 1 228.380 1.421 20 70 BDIDMP CC[C@](C)(O)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000161222653 384933703 /nfs/dbraw/zinc/93/37/03/384933703.db2.gz ZZOAPIMSXOIOIT-OLZOCXBDSA-N 2 1 228.380 1.421 20 70 BDIDMP CC[C@](C)(O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000161222653 384933713 /nfs/dbraw/zinc/93/37/13/384933713.db2.gz ZZOAPIMSXOIOIT-OLZOCXBDSA-N 2 1 228.380 1.421 20 70 BDIDMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@](C)(O)CC)C1 ZINC000161419480 385024622 /nfs/dbraw/zinc/02/46/22/385024622.db2.gz MJINACIOYSNHCZ-CHWSQXEVSA-N 2 1 228.380 1.421 20 70 BDIDMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@](C)(O)CC)C1 ZINC000161419480 385024630 /nfs/dbraw/zinc/02/46/30/385024630.db2.gz MJINACIOYSNHCZ-CHWSQXEVSA-N 2 1 228.380 1.421 20 70 BDIDMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@](C)(O)CC)C1 ZINC000161419480 385024638 /nfs/dbraw/zinc/02/46/38/385024638.db2.gz MJINACIOYSNHCZ-CHWSQXEVSA-N 2 1 228.380 1.421 20 70 BDIDMP CC[N@@H+](CCO)CCC[NH+]1CCCCC1 ZINC000160902193 388099588 /nfs/dbraw/zinc/09/95/88/388099588.db2.gz GOJOYAQDSIQHOG-UHFFFAOYSA-N 2 1 214.353 1.177 20 70 BDIDMP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000159978036 361295661 /nfs/dbraw/zinc/29/56/61/361295661.db2.gz KQNWNHQFQMWAFK-FDYHWXHSSA-N 2 1 208.349 1.859 20 70 BDIDMP Cc1ccoc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000161311882 538915288 /nfs/dbraw/zinc/91/52/88/538915288.db2.gz OBPMRRLTESBHGY-GHMZBOCLSA-N 2 1 206.289 1.239 20 70 BDIDMP C[N@H+]1CCC[C@H]1CCN1CC[NH+](C2CC2)CC1 ZINC000161496095 349465652 /nfs/dbraw/zinc/46/56/52/349465652.db2.gz VCRYJBDEJNUDSA-ZDUSSCGKSA-N 2 1 237.391 1.251 20 70 BDIDMP CSC[C@H](CCO)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000160167616 353361671 /nfs/dbraw/zinc/36/16/71/353361671.db2.gz MWGGXJHHYDHBAD-SRVKXCTJSA-N 2 1 246.420 1.173 20 70 BDIDMP CSC[C@H](CCO)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000160167616 353361673 /nfs/dbraw/zinc/36/16/73/353361673.db2.gz MWGGXJHHYDHBAD-SRVKXCTJSA-N 2 1 246.420 1.173 20 70 BDIDMP CO[C@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000160883106 388098508 /nfs/dbraw/zinc/09/85/08/388098508.db2.gz VDOHOEPFIIMJNP-AWEZNQCLSA-N 2 1 240.391 1.973 20 70 BDIDMP CO[C@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000160883106 388098511 /nfs/dbraw/zinc/09/85/11/388098511.db2.gz VDOHOEPFIIMJNP-AWEZNQCLSA-N 2 1 240.391 1.973 20 70 BDIDMP COCC[C@H](C)[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000159507136 345439392 /nfs/dbraw/zinc/43/93/92/345439392.db2.gz LGRBKLUTXMBCKX-AXFHLTTASA-N 2 1 200.326 1.081 20 70 BDIDMP OC[C@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000161253359 349416535 /nfs/dbraw/zinc/41/65/35/349416535.db2.gz YCETYMZPKLDFIP-AWEZNQCLSA-N 2 1 240.391 1.567 20 70 BDIDMP CCOCCC[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000159504572 361241801 /nfs/dbraw/zinc/24/18/01/361241801.db2.gz YOEJPNQXGVUCCV-MNOVXSKESA-N 2 1 200.326 1.082 20 70 BDIDMP COCC(C)(C)[NH2+]CCn1cc[nH+]c1C ZINC000160808842 361328863 /nfs/dbraw/zinc/32/88/63/361328863.db2.gz SUHFLYROGKFKIT-UHFFFAOYSA-N 2 1 211.309 1.206 20 70 BDIDMP c1cn(CCn2c[nH+]c3c2CCCC3)cn1 ZINC000160722834 384430034 /nfs/dbraw/zinc/43/00/34/384430034.db2.gz KYJRWHFWTZGIRU-UHFFFAOYSA-N 2 1 216.288 1.659 20 70 BDIDMP CC[C@@](C)(O)C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000161274601 384962846 /nfs/dbraw/zinc/96/28/46/384962846.db2.gz MUACZSFLIAYLIY-UONOGXRCSA-N 2 1 242.407 1.954 20 70 BDIDMP CC[C@@](C)(O)C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000161274601 384962851 /nfs/dbraw/zinc/96/28/51/384962851.db2.gz MUACZSFLIAYLIY-UONOGXRCSA-N 2 1 242.407 1.954 20 70 BDIDMP CCC[N@@H+](CCO)CCC[NH+]1CCCCC1 ZINC000161276346 349414169 /nfs/dbraw/zinc/41/41/69/349414169.db2.gz XNLAXDXGIULPAN-UHFFFAOYSA-N 2 1 228.380 1.567 20 70 BDIDMP C[C@H](Cc1ccc(Cl)cc1)[NH2+]CC[NH3+] ZINC000218187714 134251549 /nfs/dbraw/zinc/25/15/49/134251549.db2.gz FUBSTVUYRHCNSD-SECBINFHSA-N 2 1 212.724 1.819 20 70 BDIDMP CC(C)OCC[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000159503093 361241882 /nfs/dbraw/zinc/24/18/82/361241882.db2.gz YHVYZVYHIKVTIX-MNOVXSKESA-N 2 1 200.326 1.081 20 70 BDIDMP CCCC[N@@H+](CCO)CCC[NH+]1CCCCC1 ZINC000160902785 388099391 /nfs/dbraw/zinc/09/93/91/388099391.db2.gz CEDYHXPIRKRTCE-UHFFFAOYSA-N 2 1 242.407 1.957 20 70 BDIDMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCO ZINC000159679782 177264794 /nfs/dbraw/zinc/26/47/94/177264794.db2.gz GYSGTOSEBIWUKE-ZFWWWQNUSA-N 2 1 248.370 1.479 20 70 BDIDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCO ZINC000159679782 177264796 /nfs/dbraw/zinc/26/47/96/177264796.db2.gz GYSGTOSEBIWUKE-ZFWWWQNUSA-N 2 1 248.370 1.479 20 70 BDIDMP CC[C@H](Cc1ccc(C)cc1)[NH2+]CC[NH3+] ZINC000218286977 345745292 /nfs/dbraw/zinc/74/52/92/345745292.db2.gz HKSOTLKGTUGERG-CYBMUJFWSA-N 2 1 206.333 1.864 20 70 BDIDMP C1=CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000159988146 538881139 /nfs/dbraw/zinc/88/11/39/538881139.db2.gz NJQDJLUCHWGFTA-OLZOCXBDSA-N 2 1 206.333 1.921 20 70 BDIDMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@@H](C)CCOC ZINC000160140708 388047948 /nfs/dbraw/zinc/04/79/48/388047948.db2.gz BWGUQWBYQRKPMN-NWDGAFQWSA-N 2 1 216.369 1.731 20 70 BDIDMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@@H](C)CCOC ZINC000160140708 388047953 /nfs/dbraw/zinc/04/79/53/388047953.db2.gz BWGUQWBYQRKPMN-NWDGAFQWSA-N 2 1 216.369 1.731 20 70 BDIDMP C[N@H+]1CCC[C@H]1CC[NH+]1CCCSCC1 ZINC000161477095 349458100 /nfs/dbraw/zinc/45/81/00/349458100.db2.gz XZWLRIQSLACOIH-LBPRGKRZSA-N 2 1 228.405 1.910 20 70 BDIDMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCCSCC1 ZINC000161477095 349458104 /nfs/dbraw/zinc/45/81/04/349458104.db2.gz XZWLRIQSLACOIH-LBPRGKRZSA-N 2 1 228.405 1.910 20 70 BDIDMP C[NH+]1CCC[C@H]1CC[N@H+]1CCCSCC1 ZINC000161477095 349458108 /nfs/dbraw/zinc/45/81/08/349458108.db2.gz XZWLRIQSLACOIH-LBPRGKRZSA-N 2 1 228.405 1.910 20 70 BDIDMP Cc1cc(N[C@@H](C)C[NH+]2CCOCC2)cc[nH+]1 ZINC000160917587 178178850 /nfs/dbraw/zinc/17/88/50/178178850.db2.gz RVTOYDCPHVWIPZ-LBPRGKRZSA-N 2 1 235.331 1.523 20 70 BDIDMP C[N@H+](CCC[NH3+])Cc1cc(O)cc(F)c1 ZINC000159745751 343202379 /nfs/dbraw/zinc/20/23/79/343202379.db2.gz SMSOOUJMWRDOMD-UHFFFAOYSA-N 2 1 212.268 1.312 20 70 BDIDMP C[N@@H+](CCC[NH3+])Cc1cc(O)cc(F)c1 ZINC000159745751 343202381 /nfs/dbraw/zinc/20/23/81/343202381.db2.gz SMSOOUJMWRDOMD-UHFFFAOYSA-N 2 1 212.268 1.312 20 70 BDIDMP C1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)CS1 ZINC000217648793 136277858 /nfs/dbraw/zinc/27/78/58/136277858.db2.gz FUVZZTOLLKWTFS-SRVKXCTJSA-N 2 1 226.389 1.708 20 70 BDIDMP C1C[C@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)CS1 ZINC000217648793 136277859 /nfs/dbraw/zinc/27/78/59/136277859.db2.gz FUVZZTOLLKWTFS-SRVKXCTJSA-N 2 1 226.389 1.708 20 70 BDIDMP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CC[NH3+] ZINC000218280400 345745235 /nfs/dbraw/zinc/74/52/35/345745235.db2.gz VSOYXVBPPNVRLG-CYBMUJFWSA-N 2 1 224.323 1.941 20 70 BDIDMP CC[C@H](C)[N@H+](C)CC[NH2+]CC1(C)COC1 ZINC000217753042 134249378 /nfs/dbraw/zinc/24/93/78/134249378.db2.gz IGRCOBUFKLVISF-NSHDSACASA-N 2 1 214.353 1.343 20 70 BDIDMP CC[C@H](C)[N@@H+](C)CC[NH2+]CC1(C)COC1 ZINC000217753042 134249379 /nfs/dbraw/zinc/24/93/79/134249379.db2.gz IGRCOBUFKLVISF-NSHDSACASA-N 2 1 214.353 1.343 20 70 BDIDMP CC(C)[N@H+](CCC[NH+]1CCCCC1)C[C@@H](C)O ZINC000161008572 384471727 /nfs/dbraw/zinc/47/17/27/384471727.db2.gz IDGUSBYNEXKSMO-CQSZACIVSA-N 2 1 242.407 1.954 20 70 BDIDMP CC[C@@H](O)[C@H]1CCCC[N@H+]1CCn1ccnc1 ZINC000159842398 388033383 /nfs/dbraw/zinc/03/33/83/388033383.db2.gz YYBHZIBZWILUFQ-CHWSQXEVSA-N 2 1 237.347 1.509 20 70 BDIDMP CC[C@@H](C)[N@@H+](C)CCNC1CC[NH2+]CC1 ZINC000217889375 134250477 /nfs/dbraw/zinc/25/04/77/134250477.db2.gz IXWSUMUJXQJFQL-LLVKDONJSA-N 2 1 213.369 1.058 20 70 BDIDMP CCCCOCC[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000218738716 134259864 /nfs/dbraw/zinc/25/98/64/134259864.db2.gz JDFQWRCPTCOMSZ-RYUDHWBXSA-N 2 1 214.353 1.472 20 70 BDIDMP CSCC[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000160063802 387041999 /nfs/dbraw/zinc/04/19/99/387041999.db2.gz UFLMQBAVLDLKJQ-JTQLQIEISA-N 2 1 202.367 1.281 20 70 BDIDMP CCC[N@@H+](CC)CCNC1CC[NH2+]CC1 ZINC000217719825 134250492 /nfs/dbraw/zinc/25/04/92/134250492.db2.gz NREVJQRODKFUIQ-UHFFFAOYSA-N 2 1 213.369 1.060 20 70 BDIDMP Cc1ccoc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000161311739 538915180 /nfs/dbraw/zinc/91/51/80/538915180.db2.gz OBPMRRLTESBHGY-PHIMTYICSA-N 2 1 206.289 1.239 20 70 BDIDMP Cc1ccoc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000161311739 538915182 /nfs/dbraw/zinc/91/51/82/538915182.db2.gz OBPMRRLTESBHGY-PHIMTYICSA-N 2 1 206.289 1.239 20 70 BDIDMP OC[C@@H]1CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000161338411 349424404 /nfs/dbraw/zinc/42/44/04/349424404.db2.gz CUMWSYLUYVYMRC-ZDUSSCGKSA-N 2 1 226.364 1.319 20 70 BDIDMP C[C@H]([NH2+]CCC[NH3+])c1ccc(Cl)cn1 ZINC000218189893 350085696 /nfs/dbraw/zinc/08/56/96/350085696.db2.gz LHKHWAPKNPKNKN-QMMMGPOBSA-N 2 1 213.712 1.734 20 70 BDIDMP CSC[C@H](CCO)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000160167181 353361563 /nfs/dbraw/zinc/36/15/63/353361563.db2.gz MWGGXJHHYDHBAD-UTUOFQBUSA-N 2 1 246.420 1.173 20 70 BDIDMP CSC[C@H](CCO)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000160167181 353361567 /nfs/dbraw/zinc/36/15/67/353361567.db2.gz MWGGXJHHYDHBAD-UTUOFQBUSA-N 2 1 246.420 1.173 20 70 BDIDMP CCOCCC[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000160500445 388070282 /nfs/dbraw/zinc/07/02/82/388070282.db2.gz AXMKDGUOHIYKDS-UHFFFAOYSA-N 2 1 228.380 1.875 20 70 BDIDMP C[NH2+]CC[NH2+]CC(C)(C)c1ccccc1 ZINC000161273712 487487355 /nfs/dbraw/zinc/48/73/55/487487355.db2.gz RRJMWPNVSVSEMP-UHFFFAOYSA-N 2 1 206.333 1.773 20 70 BDIDMP COCCCC[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000159455949 361236897 /nfs/dbraw/zinc/23/68/97/361236897.db2.gz CHYNVRUJSFVIFB-WDEREUQCSA-N 2 1 200.326 1.082 20 70 BDIDMP C[C@@H](C[NH3+])[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000216952857 385152630 /nfs/dbraw/zinc/15/26/30/385152630.db2.gz CZVNNSPLXJDQBD-DDNJXNFVSA-N 2 1 208.349 1.748 20 70 BDIDMP CC[C@@H](O)[C@@H]1CCCC[N@H+]1CCn1ccnc1 ZINC000159842139 388032695 /nfs/dbraw/zinc/03/26/95/388032695.db2.gz YYBHZIBZWILUFQ-QWHCGFSZSA-N 2 1 237.347 1.509 20 70 BDIDMP [NH3+]C[C@@H]1CCC[N@@H+](C[C@@H]2CCCCO2)C1 ZINC000218469965 592156498 /nfs/dbraw/zinc/15/64/98/592156498.db2.gz SIKLNFQMZFYTHT-RYUDHWBXSA-N 2 1 212.337 1.226 20 70 BDIDMP COCCCC[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000159456338 361236928 /nfs/dbraw/zinc/23/69/28/361236928.db2.gz CHYNVRUJSFVIFB-MNOVXSKESA-N 2 1 200.326 1.082 20 70 BDIDMP CC[C@H](O)[C@@H]1CCCC[N@H+]1CCn1ccnc1 ZINC000159842032 388033627 /nfs/dbraw/zinc/03/36/27/388033627.db2.gz YYBHZIBZWILUFQ-STQMWFEESA-N 2 1 237.347 1.509 20 70 BDIDMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H](C)CCOC ZINC000160140835 388048292 /nfs/dbraw/zinc/04/82/92/388048292.db2.gz BWGUQWBYQRKPMN-RYUDHWBXSA-N 2 1 216.369 1.731 20 70 BDIDMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H](C)CCOC ZINC000160140835 388048295 /nfs/dbraw/zinc/04/82/95/388048295.db2.gz BWGUQWBYQRKPMN-RYUDHWBXSA-N 2 1 216.369 1.731 20 70 BDIDMP CC[C@H]([NH2+]C1CC[NH+](C)CC1)c1cnn(C)c1 ZINC000161420325 349443652 /nfs/dbraw/zinc/44/36/52/349443652.db2.gz SJNFQBZWHYJQQQ-ZDUSSCGKSA-N 2 1 236.363 1.555 20 70 BDIDMP CSC[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000159983226 388042519 /nfs/dbraw/zinc/04/25/19/388042519.db2.gz QIMFCPBUIWBUOP-SDDRHHMPSA-N 2 1 228.405 1.954 20 70 BDIDMP Cc1cnccc1C[NH2+]CCC[NH+](C)C ZINC000160610197 388077966 /nfs/dbraw/zinc/07/79/66/388077966.db2.gz VADVPEAGQVLQRS-UHFFFAOYSA-N 2 1 207.321 1.431 20 70 BDIDMP C[N@@H+](CCC[NH+]1CCCCC1)C[C@@H]1CCOC1 ZINC000161396952 349428344 /nfs/dbraw/zinc/42/83/44/349428344.db2.gz PHCWBCUGVVGTKD-AWEZNQCLSA-N 2 1 240.391 1.831 20 70 BDIDMP C1=CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000159988023 538881118 /nfs/dbraw/zinc/88/11/18/538881118.db2.gz NJQDJLUCHWGFTA-CHWSQXEVSA-N 2 1 206.333 1.921 20 70 BDIDMP COCCCC[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000159456095 361237255 /nfs/dbraw/zinc/23/72/55/361237255.db2.gz CHYNVRUJSFVIFB-GHMZBOCLSA-N 2 1 200.326 1.082 20 70 BDIDMP [NH3+]CCCCNc1cc[nH+]cc1Br ZINC000159802848 361289883 /nfs/dbraw/zinc/28/98/83/361289883.db2.gz CIAIIHCRWHFEHW-UHFFFAOYSA-N 2 1 244.136 1.995 20 70 BDIDMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@](C)(O)CC)C1 ZINC000161391227 384485955 /nfs/dbraw/zinc/48/59/55/384485955.db2.gz GDVXPUZILIQSNS-UONOGXRCSA-N 2 1 242.407 1.811 20 70 BDIDMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@](C)(O)CC)C1 ZINC000161391227 384485961 /nfs/dbraw/zinc/48/59/61/384485961.db2.gz GDVXPUZILIQSNS-UONOGXRCSA-N 2 1 242.407 1.811 20 70 BDIDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@](C)(O)CC)C1 ZINC000161391227 384485966 /nfs/dbraw/zinc/48/59/66/384485966.db2.gz GDVXPUZILIQSNS-UONOGXRCSA-N 2 1 242.407 1.811 20 70 BDIDMP CSCC[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000160042478 388043896 /nfs/dbraw/zinc/04/38/96/388043896.db2.gz RKUIUNXEHOAEFX-JTQLQIEISA-N 2 1 202.367 1.281 20 70 BDIDMP C[C@H]1CCCC[N@H+]1CCCCNC(N)=[NH2+] ZINC000161508158 136277282 /nfs/dbraw/zinc/27/72/82/136277282.db2.gz CLQFBWTYPBNJLM-JTQLQIEISA-N 2 1 212.341 1.124 20 70 BDIDMP COCC[N@@H+](C)CCC[NH+]1CCCCC1 ZINC000161294002 349417348 /nfs/dbraw/zinc/41/73/48/349417348.db2.gz CEQJGVNTAPJOIM-UHFFFAOYSA-N 2 1 214.353 1.441 20 70 BDIDMP CCOCCC[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000159504711 361241873 /nfs/dbraw/zinc/24/18/73/361241873.db2.gz YOEJPNQXGVUCCV-GHMZBOCLSA-N 2 1 200.326 1.082 20 70 BDIDMP Cc1cnccc1C[NH2+]C1CC[NH2+]CC1 ZINC000160595869 361360050 /nfs/dbraw/zinc/36/00/50/361360050.db2.gz ZBOSOCIQQWPXPC-UHFFFAOYSA-N 2 1 205.305 1.232 20 70 BDIDMP CSC[C@H](CCO)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000160167448 353361643 /nfs/dbraw/zinc/36/16/43/353361643.db2.gz MWGGXJHHYDHBAD-WOPDTQHZSA-N 2 1 246.420 1.173 20 70 BDIDMP CSC[C@H](CCO)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000160167448 353361645 /nfs/dbraw/zinc/36/16/45/353361645.db2.gz MWGGXJHHYDHBAD-WOPDTQHZSA-N 2 1 246.420 1.173 20 70 BDIDMP C1=CCC([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000159988273 538880954 /nfs/dbraw/zinc/88/09/54/538880954.db2.gz NJQDJLUCHWGFTA-QWHCGFSZSA-N 2 1 206.333 1.921 20 70 BDIDMP COCCCC[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000159456234 361237213 /nfs/dbraw/zinc/23/72/13/361237213.db2.gz CHYNVRUJSFVIFB-QWRGUYRKSA-N 2 1 200.326 1.082 20 70 BDIDMP COCC[C@H](C)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000218651893 363130719 /nfs/dbraw/zinc/13/07/19/363130719.db2.gz HKDKBFXDGHKVAP-QWRGUYRKSA-N 2 1 200.326 1.082 20 70 BDIDMP CSCC[N@@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000160063937 388044879 /nfs/dbraw/zinc/04/48/79/388044879.db2.gz UFLMQBAVLDLKJQ-SNVBAGLBSA-N 2 1 202.367 1.281 20 70 BDIDMP CC[C@@H]([NH2+]C1CC[NH+](C)CC1)c1cnn(C)c1 ZINC000161420458 349443595 /nfs/dbraw/zinc/44/35/95/349443595.db2.gz SJNFQBZWHYJQQQ-CYBMUJFWSA-N 2 1 236.363 1.555 20 70 BDIDMP C[N@@H+](CCC[NH+]1CCCCC1)C[C@@H](O)C1CC1 ZINC000161465480 538915816 /nfs/dbraw/zinc/91/58/16/538915816.db2.gz QARDEIISHNDYDO-CQSZACIVSA-N 2 1 240.391 1.565 20 70 BDIDMP C[N@@H+](CCC[NH+]1CCCCC1)C[C@H]1CCOC1 ZINC000161397076 349428445 /nfs/dbraw/zinc/42/84/45/349428445.db2.gz PHCWBCUGVVGTKD-CQSZACIVSA-N 2 1 240.391 1.831 20 70 BDIDMP C[C@@H]([NH2+]CCC[NH3+])c1ccc(Cl)cn1 ZINC000218189982 345744893 /nfs/dbraw/zinc/74/48/93/345744893.db2.gz LHKHWAPKNPKNKN-MRVPVSSYSA-N 2 1 213.712 1.734 20 70 BDIDMP CCc1nc(CN(C)CCCn2ccnc2)n[nH]1 ZINC000160152681 346442840 /nfs/dbraw/zinc/44/28/40/346442840.db2.gz AGIYBLCVVYGTSZ-UHFFFAOYSA-N 2 1 248.334 1.086 20 70 BDIDMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCC(F)(F)F)C1 ZINC000159505241 361241200 /nfs/dbraw/zinc/24/12/00/361241200.db2.gz JZMAPIHAFUACTD-HTQZYQBOSA-N 2 1 210.243 1.608 20 70 BDIDMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@](C)(O)CC)C1 ZINC000161314880 384966616 /nfs/dbraw/zinc/96/66/16/384966616.db2.gz YOLRWPQHFYBJCG-KGLIPLIRSA-N 2 1 242.407 1.811 20 70 BDIDMP CC[C@H](O)[C@H]1CCCC[N@H+]1CCn1ccnc1 ZINC000159842283 388032765 /nfs/dbraw/zinc/03/27/65/388032765.db2.gz YYBHZIBZWILUFQ-OLZOCXBDSA-N 2 1 237.347 1.509 20 70 BDIDMP CO[C@@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000160882988 388098201 /nfs/dbraw/zinc/09/82/01/388098201.db2.gz VDOHOEPFIIMJNP-CQSZACIVSA-N 2 1 240.391 1.973 20 70 BDIDMP CO[C@@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000160882988 388098204 /nfs/dbraw/zinc/09/82/04/388098204.db2.gz VDOHOEPFIIMJNP-CQSZACIVSA-N 2 1 240.391 1.973 20 70 BDIDMP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]CC[NH3+] ZINC000218187631 134251391 /nfs/dbraw/zinc/25/13/91/134251391.db2.gz FUBSTVUYRHCNSD-VIFPVBQESA-N 2 1 212.724 1.819 20 70 BDIDMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCO ZINC000159679654 176306000 /nfs/dbraw/zinc/30/60/00/176306000.db2.gz GYSGTOSEBIWUKE-HIFRSBDPSA-N 2 1 248.370 1.479 20 70 BDIDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCO ZINC000159679654 176306001 /nfs/dbraw/zinc/30/60/01/176306001.db2.gz GYSGTOSEBIWUKE-HIFRSBDPSA-N 2 1 248.370 1.479 20 70 BDIDMP CCCCOCC[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000218738656 134259755 /nfs/dbraw/zinc/25/97/55/134259755.db2.gz JDFQWRCPTCOMSZ-NWDGAFQWSA-N 2 1 214.353 1.472 20 70 BDIDMP CC[C@@H](C)[N@H+](C)CC[NH2+]CC1(C)COC1 ZINC000217752955 134249251 /nfs/dbraw/zinc/24/92/51/134249251.db2.gz IGRCOBUFKLVISF-LLVKDONJSA-N 2 1 214.353 1.343 20 70 BDIDMP CC[C@@H](C)[N@@H+](C)CC[NH2+]CC1(C)COC1 ZINC000217752955 134249252 /nfs/dbraw/zinc/24/92/52/134249252.db2.gz IGRCOBUFKLVISF-LLVKDONJSA-N 2 1 214.353 1.343 20 70 BDIDMP C[N@@H+](C[C@H]1CCCO1)C[C@@H]1CCC[NH2+]C1 ZINC000218423036 134254574 /nfs/dbraw/zinc/25/45/74/134254574.db2.gz VSSMFRZEVFEYCB-VXGBXAGGSA-N 2 1 212.337 1.097 20 70 BDIDMP CSC[C@H](CCO)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000160167320 353361604 /nfs/dbraw/zinc/36/16/04/353361604.db2.gz MWGGXJHHYDHBAD-TUAOUCFPSA-N 2 1 246.420 1.173 20 70 BDIDMP CSC[C@H](CCO)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000160167320 353361608 /nfs/dbraw/zinc/36/16/08/353361608.db2.gz MWGGXJHHYDHBAD-TUAOUCFPSA-N 2 1 246.420 1.173 20 70 BDIDMP COCCCC[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000217749861 134249587 /nfs/dbraw/zinc/24/95/87/134249587.db2.gz VICKWRAWTYSDCB-WDEREUQCSA-N 2 1 200.326 1.082 20 70 BDIDMP C[N@H+](CCC[NH+]1CCCC1)C[C@@H]1CCCCO1 ZINC000161448976 384489942 /nfs/dbraw/zinc/48/99/42/384489942.db2.gz AUFGGUQDFAJHDP-AWEZNQCLSA-N 2 1 240.391 1.973 20 70 BDIDMP C[N@@H+](CCC[NH+]1CCCC1)C[C@@H]1CCCCO1 ZINC000161448976 384489944 /nfs/dbraw/zinc/48/99/44/384489944.db2.gz AUFGGUQDFAJHDP-AWEZNQCLSA-N 2 1 240.391 1.973 20 70 BDIDMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCSCC1 ZINC000161476951 384492162 /nfs/dbraw/zinc/49/21/62/384492162.db2.gz XZWLRIQSLACOIH-GFCCVEGCSA-N 2 1 228.405 1.910 20 70 BDIDMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCSCC1 ZINC000161476951 384492167 /nfs/dbraw/zinc/49/21/67/384492167.db2.gz XZWLRIQSLACOIH-GFCCVEGCSA-N 2 1 228.405 1.910 20 70 BDIDMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCSCC1 ZINC000161476951 384492172 /nfs/dbraw/zinc/49/21/72/384492172.db2.gz XZWLRIQSLACOIH-GFCCVEGCSA-N 2 1 228.405 1.910 20 70 BDIDMP CC[C@@](C)(O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000161222802 384935363 /nfs/dbraw/zinc/93/53/63/384935363.db2.gz ZZOAPIMSXOIOIT-CHWSQXEVSA-N 2 1 228.380 1.421 20 70 BDIDMP CC[C@@](C)(O)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000161222802 384935368 /nfs/dbraw/zinc/93/53/68/384935368.db2.gz ZZOAPIMSXOIOIT-CHWSQXEVSA-N 2 1 228.380 1.421 20 70 BDIDMP CC[C@@](C)(O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000161222802 384935377 /nfs/dbraw/zinc/93/53/77/384935377.db2.gz ZZOAPIMSXOIOIT-CHWSQXEVSA-N 2 1 228.380 1.421 20 70 BDIDMP CSC[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000159982974 388042188 /nfs/dbraw/zinc/04/21/88/388042188.db2.gz QIMFCPBUIWBUOP-QJPTWQEYSA-N 2 1 228.405 1.954 20 70 BDIDMP OC[C@@H]1CCCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000160569035 388074211 /nfs/dbraw/zinc/07/42/11/388074211.db2.gz KQFOABMTUWWMLQ-AWEZNQCLSA-N 2 1 240.391 1.709 20 70 BDIDMP C[C@H](C[NH3+])[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000216952879 134182841 /nfs/dbraw/zinc/18/28/41/134182841.db2.gz CZVNNSPLXJDQBD-GLFGPFBSSA-N 2 1 208.349 1.748 20 70 BDIDMP