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)(O)CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000161211182 349399239 /nfs/dbraw/zinc/39/92/39/349399239.db2.gz DNJLPYQXCCNXQR-ZIAGYGMSSA-N 1 3 240.391 1.565 20 70 BDIDHO CC[C@@](C)(O)C[N@@H+]1CC[C@H](CN2CCCC2)C1 ZINC000161211182 349399241 /nfs/dbraw/zinc/39/92/41/349399241.db2.gz DNJLPYQXCCNXQR-ZIAGYGMSSA-N 1 3 240.391 1.565 20 70 BDIDHO CC[C@@](C)(O)C[N@H+]1CC[C@H](CN2CCCC2)C1 ZINC000161211182 349399245 /nfs/dbraw/zinc/39/92/45/349399245.db2.gz DNJLPYQXCCNXQR-ZIAGYGMSSA-N 1 3 240.391 1.565 20 70 BDIDHO C[NH2+]C[C@@H]1CCCN([C@@H](C)CCOC)C1 ZINC000218651391 134258313 /nfs/dbraw/zinc/25/83/13/134258313.db2.gz VCAIRZKDYJJCIL-RYUDHWBXSA-N 1 3 214.353 1.343 20 70 BDIDHO CC[NH+]1CCC(N(C)CCn2ccnc2)CC1 ZINC000161350826 411294125 /nfs/dbraw/zinc/29/41/25/411294125.db2.gz QRVNJSLWOCDDSU-UHFFFAOYSA-N 1 3 236.363 1.299 20 70 BDIDHO [NH3+]CCCC[NH2+]Cc1cc([O-])cc(F)c1 ZINC000159593265 361260004 /nfs/dbraw/zinc/26/00/04/361260004.db2.gz UDXAJJIXANZBPZ-UHFFFAOYSA-N 1 3 212.268 1.360 20 70 BDIDHO CC[C@@](C)(O)CN1CC[C@H](C[NH+](C)C)C1 ZINC000161105828 384463804 /nfs/dbraw/zinc/46/38/04/384463804.db2.gz QEDCZNFWWCYMOQ-VXGBXAGGSA-N 1 3 214.353 1.031 20 70 BDIDHO Cc1ccccc1C[C@H](C)NC[C@H](C)[NH3+] ZINC000218299618 487647583 /nfs/dbraw/zinc/64/75/83/487647583.db2.gz DWOWGYPWDJOTOI-RYUDHWBXSA-N 1 3 206.333 1.863 20 70 BDIDHO CC[C@](C)(O)CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000161211051 349399004 /nfs/dbraw/zinc/39/90/04/349399004.db2.gz DNJLPYQXCCNXQR-KGLIPLIRSA-N 1 3 240.391 1.565 20 70 BDIDHO CC[C@](C)(O)C[N@@H+]1CC[C@H](CN2CCCC2)C1 ZINC000161211051 349399008 /nfs/dbraw/zinc/39/90/08/349399008.db2.gz DNJLPYQXCCNXQR-KGLIPLIRSA-N 1 3 240.391 1.565 20 70 BDIDHO CC[C@](C)(O)C[N@H+]1CC[C@H](CN2CCCC2)C1 ZINC000161211051 349399012 /nfs/dbraw/zinc/39/90/12/349399012.db2.gz DNJLPYQXCCNXQR-KGLIPLIRSA-N 1 3 240.391 1.565 20 70 BDIDHO CCN(C)C[C@H]1CC[N@H+](C[C@@](C)(O)CC)C1 ZINC000161419343 384487495 /nfs/dbraw/zinc/48/74/95/384487495.db2.gz MJINACIOYSNHCZ-OLZOCXBDSA-N 1 3 228.380 1.421 20 70 BDIDHO CCN(C)C[C@H]1CC[N@@H+](C[C@@](C)(O)CC)C1 ZINC000161419343 384487501 /nfs/dbraw/zinc/48/75/01/384487501.db2.gz MJINACIOYSNHCZ-OLZOCXBDSA-N 1 3 228.380 1.421 20 70 BDIDHO CC[N@H+](C)C[C@H]1CCN(C[C@@](C)(O)CC)C1 ZINC000161419343 384487507 /nfs/dbraw/zinc/48/75/07/384487507.db2.gz MJINACIOYSNHCZ-OLZOCXBDSA-N 1 3 228.380 1.421 20 70 BDIDHO CC[N@@H+](C)C[C@H]1CCN(C[C@@](C)(O)CC)C1 ZINC000161419343 384487512 /nfs/dbraw/zinc/48/75/12/384487512.db2.gz MJINACIOYSNHCZ-OLZOCXBDSA-N 1 3 228.380 1.421 20 70 BDIDHO CCC[N@H+](C)C[C@H]1CCN(C[C@](C)(O)CC)C1 ZINC000161391394 384999118 /nfs/dbraw/zinc/99/91/18/384999118.db2.gz GDVXPUZILIQSNS-ZIAGYGMSSA-N 1 3 242.407 1.811 20 70 BDIDHO CCC[N@@H+](C)C[C@H]1CCN(C[C@](C)(O)CC)C1 ZINC000161391394 384999127 /nfs/dbraw/zinc/99/91/27/384999127.db2.gz GDVXPUZILIQSNS-ZIAGYGMSSA-N 1 3 242.407 1.811 20 70 BDIDHO CCCN(C)C[C@H]1CC[N@H+](C[C@](C)(O)CC)C1 ZINC000161391394 384999132 /nfs/dbraw/zinc/99/91/32/384999132.db2.gz GDVXPUZILIQSNS-ZIAGYGMSSA-N 1 3 242.407 1.811 20 70 BDIDHO CCCN(C)C[C@H]1CC[N@@H+](C[C@](C)(O)CC)C1 ZINC000161391394 384999137 /nfs/dbraw/zinc/99/91/37/384999137.db2.gz GDVXPUZILIQSNS-ZIAGYGMSSA-N 1 3 242.407 1.811 20 70 BDIDHO CN(CCCCCCO)C1CC[NH2+]CC1 ZINC000218585033 592164565 /nfs/dbraw/zinc/16/45/65/592164565.db2.gz GGNVVJQBSCZKOH-UHFFFAOYSA-N 1 3 214.353 1.223 20 70 BDIDHO CC(C)OCCN1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000159503273 361241864 /nfs/dbraw/zinc/24/18/64/361241864.db2.gz YHVYZVYHIKVTIX-GHMZBOCLSA-N 1 3 200.326 1.081 20 70 BDIDHO C[C@@H]([NH3+])CN[C@@H](C)Cc1ccc(F)cc1 ZINC000218299917 487646964 /nfs/dbraw/zinc/64/69/64/487646964.db2.gz XIYHAARGCWDGHR-ZJUUUORDSA-N 1 3 210.296 1.694 20 70 BDIDHO C[C@@H](O)CC[N@H+](C)CCCN1CCCCC1 ZINC000161378480 349436714 /nfs/dbraw/zinc/43/67/14/349436714.db2.gz ZXEIRNWCRVTDGG-CYBMUJFWSA-N 1 3 228.380 1.565 20 70 BDIDHO C[C@@H](O)CC[N@@H+](C)CCCN1CCCCC1 ZINC000161378480 349436717 /nfs/dbraw/zinc/43/67/17/349436717.db2.gz ZXEIRNWCRVTDGG-CYBMUJFWSA-N 1 3 228.380 1.565 20 70 BDIDHO CCC[C@H](O)CN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000217722696 357911331 /nfs/dbraw/zinc/91/13/31/357911331.db2.gz JJQKOKQOVPDDHL-MXWKQRLJSA-N 1 3 200.326 1.007 20 70 BDIDHO C[N@H+](CCCN1CCCCC1)[C@@H]1CCOC1 ZINC000161006553 384467602 /nfs/dbraw/zinc/46/76/02/384467602.db2.gz SQVZVGOUNRFXJX-CYBMUJFWSA-N 1 3 226.364 1.583 20 70 BDIDHO C[N@@H+](CCCN1CCCCC1)[C@@H]1CCOC1 ZINC000161006553 384467607 /nfs/dbraw/zinc/46/76/07/384467607.db2.gz SQVZVGOUNRFXJX-CYBMUJFWSA-N 1 3 226.364 1.583 20 70 BDIDHO CC[NH+](CC)C[C@H]1CCN(C[C@](C)(O)CC)C1 ZINC000161315005 384964475 /nfs/dbraw/zinc/96/44/75/384964475.db2.gz YOLRWPQHFYBJCG-ZIAGYGMSSA-N 1 3 242.407 1.811 20 70 BDIDHO CCN(CC)C[C@H]1CC[N@H+](C[C@](C)(O)CC)C1 ZINC000161315005 384964477 /nfs/dbraw/zinc/96/44/77/384964477.db2.gz YOLRWPQHFYBJCG-ZIAGYGMSSA-N 1 3 242.407 1.811 20 70 BDIDHO CCN(CC)C[C@H]1CC[N@@H+](C[C@](C)(O)CC)C1 ZINC000161315005 384964478 /nfs/dbraw/zinc/96/44/78/384964478.db2.gz YOLRWPQHFYBJCG-ZIAGYGMSSA-N 1 3 242.407 1.811 20 70 BDIDHO CC[C@H](COC)N[C@H]1CCC[NH2+]CC1 ZINC000160683877 361323983 /nfs/dbraw/zinc/32/39/83/361323983.db2.gz WMGFIDACUKEPNE-MNOVXSKESA-N 1 3 200.326 1.143 20 70 BDIDHO CC[C@](C)(O)CN(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000161274479 384479410 /nfs/dbraw/zinc/47/94/10/384479410.db2.gz MUACZSFLIAYLIY-KBPBESRZSA-N 1 3 242.407 1.954 20 70 BDIDHO CC[C@](C)(O)CN(C)CC[C@@H]1CCCC[N@H+]1C ZINC000161274479 384479413 /nfs/dbraw/zinc/47/94/13/384479413.db2.gz MUACZSFLIAYLIY-KBPBESRZSA-N 1 3 242.407 1.954 20 70 BDIDHO CC[C@H](C)N(C)CC[NH2+][C@@H]1CCN(C)C[C@@H]1C ZINC000160096050 361298494 /nfs/dbraw/zinc/29/84/94/361298494.db2.gz PDRUZIFOMQHFAQ-MELADBBJSA-N 1 3 241.423 1.647 20 70 BDIDHO COc1ccccc1C[C@@H](C)NC[C@@H](C)[NH3+] ZINC000218300683 487647278 /nfs/dbraw/zinc/64/72/78/487647278.db2.gz UDXOIFGYNFHNMC-GHMZBOCLSA-N 1 3 222.332 1.563 20 70 BDIDHO COCC[C@@H](C)[N@@H+]1CCC[C@@H](CN)C1 ZINC000218651824 343215790 /nfs/dbraw/zinc/21/57/90/343215790.db2.gz HKDKBFXDGHKVAP-MNOVXSKESA-N 1 3 200.326 1.082 20 70 BDIDHO COCC[C@@H](C)[N@H+]1CCC[C@@H](CN)C1 ZINC000218651824 343215792 /nfs/dbraw/zinc/21/57/92/343215792.db2.gz HKDKBFXDGHKVAP-MNOVXSKESA-N 1 3 200.326 1.082 20 70 BDIDHO COCC[C@@H](C)N1CCC[C@@H](C[NH3+])C1 ZINC000218651824 343215793 /nfs/dbraw/zinc/21/57/93/343215793.db2.gz HKDKBFXDGHKVAP-MNOVXSKESA-N 1 3 200.326 1.082 20 70 BDIDHO C[C@@H](CN)C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000216873817 345744444 /nfs/dbraw/zinc/74/44/44/345744444.db2.gz XVXVMTSAPNGIKT-FTPDJBBVSA-N 1 3 222.376 1.996 20 70 BDIDHO CC[C@@H](C)N(C)CC[NH2+][C@@H]1CCN(C)C[C@@H]1C ZINC000160095940 345797512 /nfs/dbraw/zinc/79/75/12/345797512.db2.gz PDRUZIFOMQHFAQ-BFHYXJOUSA-N 1 3 241.423 1.647 20 70 BDIDHO C1=CCC(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000159988402 538881052 /nfs/dbraw/zinc/88/10/52/538881052.db2.gz NJQDJLUCHWGFTA-STQMWFEESA-N 1 3 206.333 1.921 20 70 BDIDHO C1=CCC(N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000159988402 538881053 /nfs/dbraw/zinc/88/10/53/538881053.db2.gz NJQDJLUCHWGFTA-STQMWFEESA-N 1 3 206.333 1.921 20 70 BDIDHO C1=CCC([NH2+][C@H]2CCN3CCC[C@H]3C2)C1 ZINC000159988402 538881055 /nfs/dbraw/zinc/88/10/55/538881055.db2.gz NJQDJLUCHWGFTA-STQMWFEESA-N 1 3 206.333 1.921 20 70 BDIDHO CC[C@](C)(O)CN1CC[C@H](C[NH+](C)C)C1 ZINC000161105708 385218901 /nfs/dbraw/zinc/21/89/01/385218901.db2.gz QEDCZNFWWCYMOQ-NEPJUHHUSA-N 1 3 214.353 1.031 20 70 BDIDHO CC[C@H](O)CC[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000218753922 411198091 /nfs/dbraw/zinc/19/80/91/411198091.db2.gz MTXXITMGMXJCKE-MXWKQRLJSA-N 1 3 200.326 1.007 20 70 BDIDHO CC[C@H](O)CCN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000218753922 411198093 /nfs/dbraw/zinc/19/80/93/411198093.db2.gz MTXXITMGMXJCKE-MXWKQRLJSA-N 1 3 200.326 1.007 20 70 BDIDHO COc1ccccc1C[C@H](C)NC[C@H](C)[NH3+] ZINC000218300756 487647543 /nfs/dbraw/zinc/64/75/43/487647543.db2.gz UDXOIFGYNFHNMC-QWRGUYRKSA-N 1 3 222.332 1.563 20 70 BDIDHO CC[C@H](O)CC[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000218753379 535978862 /nfs/dbraw/zinc/97/88/62/535978862.db2.gz CWXDTIMBXKHQQS-GRYCIOLGSA-N 1 3 214.353 1.255 20 70 BDIDHO CC[C@H](CCO)[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000217691538 357909905 /nfs/dbraw/zinc/90/99/05/357909905.db2.gz ODYBMLJLZUEXEM-GMTAPVOTSA-N 1 3 200.326 1.007 20 70 BDIDHO CCC[C@H](O)C[NH2+][C@H]1CCCC[C@@H]1CN ZINC000217721937 134250653 /nfs/dbraw/zinc/25/06/53/134250653.db2.gz FSTVYYBAOIGCSS-WOPDTQHZSA-N 1 3 214.353 1.255 20 70 BDIDHO CCN1CC[C@@H]([NH2+]C2CCN(C)CC2)[C@H](C)C1 ZINC000161450268 398282275 /nfs/dbraw/zinc/28/22/75/398282275.db2.gz HGFZWJYZCSMVLW-TZMCWYRMSA-N 1 3 239.407 1.401 20 70 BDIDHO CCN1CC[C@H]([NH2+]C2CCN(C)CC2)[C@H](C)C1 ZINC000161450122 398282680 /nfs/dbraw/zinc/28/26/80/398282680.db2.gz HGFZWJYZCSMVLW-OCCSQVGLSA-N 1 3 239.407 1.401 20 70 BDIDHO CC[C@H](CSC)[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000217327757 346298568 /nfs/dbraw/zinc/29/85/68/346298568.db2.gz CGJXJNQAQLNWOU-GMTAPVOTSA-N 1 3 216.394 1.988 20 70 BDIDHO COC[C@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)C1CC1 ZINC000161141999 349374519 /nfs/dbraw/zinc/37/45/19/349374519.db2.gz RCPNUVYNUGJKRI-IHRRRGAJSA-N 1 3 240.391 1.874 20 70 BDIDHO COC[C@H](N[C@H]1CCC[C@H]([NH+](C)C)C1)C1CC1 ZINC000161141999 349374520 /nfs/dbraw/zinc/37/45/20/349374520.db2.gz RCPNUVYNUGJKRI-IHRRRGAJSA-N 1 3 240.391 1.874 20 70 BDIDHO COC[C@@H](C)C[NH2+][C@@H]1CCCNCC1 ZINC000160675842 384396950 /nfs/dbraw/zinc/39/69/50/384396950.db2.gz BSZYMWCIXYJYAP-WDEREUQCSA-N 1 3 200.326 1.001 20 70 BDIDHO C[C@@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)[C@H]1CCOC1 ZINC000161027127 349363881 /nfs/dbraw/zinc/36/38/81/349363881.db2.gz AFNWDBFJZJVSSY-RQJABVFESA-N 1 3 240.391 1.874 20 70 BDIDHO OCC[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC000159700680 538878797 /nfs/dbraw/zinc/87/87/97/538878797.db2.gz SRLBCJRIZCFZKP-UHFFFAOYSA-N 1 3 240.391 1.613 20 70 BDIDHO C[C@@H]([NH3+])CN[C@H](C)Cc1ccc(F)cc1 ZINC000218299976 487647414 /nfs/dbraw/zinc/64/74/14/487647414.db2.gz XIYHAARGCWDGHR-NXEZZACHSA-N 1 3 210.296 1.694 20 70 BDIDHO O[C@@H]1CCC[N@H+](CCCN2CCCCC2)C1 ZINC000161252131 349415705 /nfs/dbraw/zinc/41/57/05/349415705.db2.gz MOSNUUJYNBSDMI-CYBMUJFWSA-N 1 3 226.364 1.319 20 70 BDIDHO O[C@@H]1CCC[N@@H+](CCCN2CCCCC2)C1 ZINC000161252131 349415708 /nfs/dbraw/zinc/41/57/08/349415708.db2.gz MOSNUUJYNBSDMI-CYBMUJFWSA-N 1 3 226.364 1.319 20 70 BDIDHO CCN(C)C[C@H]1CC[N@H+](C[C@](C)(O)CC)C1 ZINC000161419480 385024642 /nfs/dbraw/zinc/02/46/42/385024642.db2.gz MJINACIOYSNHCZ-CHWSQXEVSA-N 1 3 228.380 1.421 20 70 BDIDHO CCN(C)C[C@H]1CC[N@@H+](C[C@](C)(O)CC)C1 ZINC000161419480 385024651 /nfs/dbraw/zinc/02/46/51/385024651.db2.gz MJINACIOYSNHCZ-CHWSQXEVSA-N 1 3 228.380 1.421 20 70 BDIDHO CC[N@H+](C)C[C@H]1CCN(C[C@](C)(O)CC)C1 ZINC000161419480 385024656 /nfs/dbraw/zinc/02/46/56/385024656.db2.gz MJINACIOYSNHCZ-CHWSQXEVSA-N 1 3 228.380 1.421 20 70 BDIDHO CC[N@@H+](C)C[C@H]1CCN(C[C@](C)(O)CC)C1 ZINC000161419480 385024665 /nfs/dbraw/zinc/02/46/65/385024665.db2.gz MJINACIOYSNHCZ-CHWSQXEVSA-N 1 3 228.380 1.421 20 70 BDIDHO CC[C@@H](COC)N[C@H]1CCC[NH2+]CC1 ZINC000160683773 388083751 /nfs/dbraw/zinc/08/37/51/388083751.db2.gz WMGFIDACUKEPNE-QWRGUYRKSA-N 1 3 200.326 1.143 20 70 BDIDHO COC[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)C1CC1 ZINC000161142247 349374524 /nfs/dbraw/zinc/37/45/24/349374524.db2.gz RCPNUVYNUGJKRI-RDBSUJKOSA-N 1 3 240.391 1.874 20 70 BDIDHO COC[C@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)C1CC1 ZINC000161142247 349374525 /nfs/dbraw/zinc/37/45/25/349374525.db2.gz RCPNUVYNUGJKRI-RDBSUJKOSA-N 1 3 240.391 1.874 20 70 BDIDHO C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000159978036 361295666 /nfs/dbraw/zinc/29/56/66/361295666.db2.gz KQNWNHQFQMWAFK-FDYHWXHSSA-N 1 3 208.349 1.859 20 70 BDIDHO C[C@@H]1C[C@@H]1CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000159978036 361295674 /nfs/dbraw/zinc/29/56/74/361295674.db2.gz KQNWNHQFQMWAFK-FDYHWXHSSA-N 1 3 208.349 1.859 20 70 BDIDHO C[C@@H]1C[C@@H]1CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000159978036 361295680 /nfs/dbraw/zinc/29/56/80/361295680.db2.gz KQNWNHQFQMWAFK-FDYHWXHSSA-N 1 3 208.349 1.859 20 70 BDIDHO COC[C@H](C)C[NH2+][C@@H]1CCCNCC1 ZINC000160675972 388083605 /nfs/dbraw/zinc/08/36/05/388083605.db2.gz BSZYMWCIXYJYAP-GHMZBOCLSA-N 1 3 200.326 1.001 20 70 BDIDHO CCC[C@H](O)CN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000217722857 357911710 /nfs/dbraw/zinc/91/17/10/357911710.db2.gz JJQKOKQOVPDDHL-VWYCJHECSA-N 1 3 200.326 1.007 20 70 BDIDHO CO[C@H]1CCC[N@H+](CCCN2CCCCC2)C1 ZINC000160883106 388098512 /nfs/dbraw/zinc/09/85/12/388098512.db2.gz VDOHOEPFIIMJNP-AWEZNQCLSA-N 1 3 240.391 1.973 20 70 BDIDHO CO[C@H]1CCC[N@@H+](CCCN2CCCCC2)C1 ZINC000160883106 388098515 /nfs/dbraw/zinc/09/85/15/388098515.db2.gz VDOHOEPFIIMJNP-AWEZNQCLSA-N 1 3 240.391 1.973 20 70 BDIDHO Cc1ccccc1C[C@@H](C)NC[C@@H](C)[NH3+] ZINC000218299439 487647517 /nfs/dbraw/zinc/64/75/17/487647517.db2.gz DWOWGYPWDJOTOI-VXGBXAGGSA-N 1 3 206.333 1.863 20 70 BDIDHO CC[C@H](O)CC[NH2+][C@H]1CCCC[C@@H]1CN ZINC000218753471 134260045 /nfs/dbraw/zinc/26/00/45/134260045.db2.gz CWXDTIMBXKHQQS-WOPDTQHZSA-N 1 3 214.353 1.255 20 70 BDIDHO CCOCCCN1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000159504572 361241802 /nfs/dbraw/zinc/24/18/02/361241802.db2.gz YOEJPNQXGVUCCV-MNOVXSKESA-N 1 3 200.326 1.082 20 70 BDIDHO CC[C@@](C)(O)CN(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000161274601 384962861 /nfs/dbraw/zinc/96/28/61/384962861.db2.gz MUACZSFLIAYLIY-UONOGXRCSA-N 1 3 242.407 1.954 20 70 BDIDHO CC[C@@](C)(O)CN(C)CC[C@@H]1CCCC[N@H+]1C ZINC000161274601 384962865 /nfs/dbraw/zinc/96/28/65/384962865.db2.gz MUACZSFLIAYLIY-UONOGXRCSA-N 1 3 242.407 1.954 20 70 BDIDHO COc1ccccc1C[C@H](C)NC[C@@H](C)[NH3+] ZINC000218300618 411435170 /nfs/dbraw/zinc/43/51/70/411435170.db2.gz UDXOIFGYNFHNMC-MNOVXSKESA-N 1 3 222.332 1.563 20 70 BDIDHO CCCN(CCO)CCC[NH+]1CCCCC1 ZINC000161276346 349414174 /nfs/dbraw/zinc/41/41/74/349414174.db2.gz XNLAXDXGIULPAN-UHFFFAOYSA-N 1 3 228.380 1.567 20 70 BDIDHO C[C@H](Cc1ccc(Cl)cc1)NCC[NH3+] ZINC000218187714 134251550 /nfs/dbraw/zinc/25/15/50/134251550.db2.gz FUBSTVUYRHCNSD-SECBINFHSA-N 1 3 212.724 1.819 20 70 BDIDHO CC(C)OCCN1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000159503093 361241885 /nfs/dbraw/zinc/24/18/85/361241885.db2.gz YHVYZVYHIKVTIX-MNOVXSKESA-N 1 3 200.326 1.081 20 70 BDIDHO CCCCN(CCO)CCC[NH+]1CCCCC1 ZINC000160902785 388099400 /nfs/dbraw/zinc/09/94/00/388099400.db2.gz CEDYHXPIRKRTCE-UHFFFAOYSA-N 1 3 242.407 1.957 20 70 BDIDHO C[C@H](O)C[N@H+](C)CCCN1CCCCC1 ZINC000161241384 349414856 /nfs/dbraw/zinc/41/48/56/349414856.db2.gz BBPSCNFKBMKOJI-LBPRGKRZSA-N 1 3 214.353 1.175 20 70 BDIDHO C[C@H](O)C[N@@H+](C)CCCN1CCCCC1 ZINC000161241384 349414859 /nfs/dbraw/zinc/41/48/59/349414859.db2.gz BBPSCNFKBMKOJI-LBPRGKRZSA-N 1 3 214.353 1.175 20 70 BDIDHO C1=CCC(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000159988146 538881142 /nfs/dbraw/zinc/88/11/42/538881142.db2.gz NJQDJLUCHWGFTA-OLZOCXBDSA-N 1 3 206.333 1.921 20 70 BDIDHO C1=CCC(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000159988146 538881143 /nfs/dbraw/zinc/88/11/43/538881143.db2.gz NJQDJLUCHWGFTA-OLZOCXBDSA-N 1 3 206.333 1.921 20 70 BDIDHO C1=CCC([NH2+][C@@H]2CCN3CCC[C@H]3C2)C1 ZINC000159988146 538881146 /nfs/dbraw/zinc/88/11/46/538881146.db2.gz NJQDJLUCHWGFTA-OLZOCXBDSA-N 1 3 206.333 1.921 20 70 BDIDHO C[N@@H+]1CCC[C@H]1CCN1CCCSCC1 ZINC000161477095 349458124 /nfs/dbraw/zinc/45/81/24/349458124.db2.gz XZWLRIQSLACOIH-LBPRGKRZSA-N 1 3 228.405 1.910 20 70 BDIDHO C[N@H+]1CCC[C@H]1CCN1CCCSCC1 ZINC000161477095 349458126 /nfs/dbraw/zinc/45/81/26/349458126.db2.gz XZWLRIQSLACOIH-LBPRGKRZSA-N 1 3 228.405 1.910 20 70 BDIDHO C[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)[C@H]1CCOC1 ZINC000161026995 349363977 /nfs/dbraw/zinc/36/39/77/349363977.db2.gz AFNWDBFJZJVSSY-FQUUOJAGSA-N 1 3 240.391 1.874 20 70 BDIDHO C[C@H]([NH3+])CN[C@@H](C)Cc1ccc(F)cc1 ZINC000218300027 487647353 /nfs/dbraw/zinc/64/73/53/487647353.db2.gz XIYHAARGCWDGHR-UWVGGRQHSA-N 1 3 210.296 1.694 20 70 BDIDHO C[C@@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)[C@@H]1CCOC1 ZINC000161026881 349363804 /nfs/dbraw/zinc/36/38/04/349363804.db2.gz AFNWDBFJZJVSSY-SYQHCUMBSA-N 1 3 240.391 1.874 20 70 BDIDHO O[C@H]1CCC[N@H+](CCCN2CCCCC2)C1 ZINC000161252003 398062925 /nfs/dbraw/zinc/06/29/25/398062925.db2.gz MOSNUUJYNBSDMI-ZDUSSCGKSA-N 1 3 226.364 1.319 20 70 BDIDHO O[C@H]1CCC[N@@H+](CCCN2CCCCC2)C1 ZINC000161252003 398062928 /nfs/dbraw/zinc/06/29/28/398062928.db2.gz MOSNUUJYNBSDMI-ZDUSSCGKSA-N 1 3 226.364 1.319 20 70 BDIDHO CC[C@@H](COC)N[C@@H]1CCC[NH2+]CC1 ZINC000160683512 361324155 /nfs/dbraw/zinc/32/41/55/361324155.db2.gz WMGFIDACUKEPNE-WDEREUQCSA-N 1 3 200.326 1.143 20 70 BDIDHO COC[C@@H](C)C[NH2+][C@H]1CCCNCC1 ZINC000160676108 388083339 /nfs/dbraw/zinc/08/33/39/388083339.db2.gz BSZYMWCIXYJYAP-QWRGUYRKSA-N 1 3 200.326 1.001 20 70 BDIDHO [NH3+]C[C@@H]1CCCN(C[C@@H]2CCCCO2)C1 ZINC000218469965 592156501 /nfs/dbraw/zinc/15/65/01/592156501.db2.gz SIKLNFQMZFYTHT-RYUDHWBXSA-N 1 3 212.337 1.226 20 70 BDIDHO COc1ccccc1C[C@@H](C)NC[C@H](C)[NH3+] ZINC000218300804 487647324 /nfs/dbraw/zinc/64/73/24/487647324.db2.gz UDXOIFGYNFHNMC-WDEREUQCSA-N 1 3 222.332 1.563 20 70 BDIDHO CC[C@H](CCO)[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000217690609 136278045 /nfs/dbraw/zinc/27/80/45/136278045.db2.gz KYOOFLBEPZMQLV-IJLUTSLNSA-N 1 3 214.353 1.255 20 70 BDIDHO CC[C@H](CCO)[NH2+][C@H]1CCCC[C@@H]1CN ZINC000217690774 136278102 /nfs/dbraw/zinc/27/81/02/136278102.db2.gz KYOOFLBEPZMQLV-UTUOFQBUSA-N 1 3 214.353 1.255 20 70 BDIDHO C[C@H](CN)C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000216873861 345744303 /nfs/dbraw/zinc/74/43/03/345744303.db2.gz XVXVMTSAPNGIKT-UIBFTYAWSA-N 1 3 222.376 1.996 20 70 BDIDHO CCN(CCC[NH+]1CCCCC1)CC(C)(C)O ZINC000161360107 349423771 /nfs/dbraw/zinc/42/37/71/349423771.db2.gz CBKYNJNKTCMJAT-UHFFFAOYSA-N 1 3 242.407 1.955 20 70 BDIDHO CSC[C@H](C)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000159983226 388042520 /nfs/dbraw/zinc/04/25/20/388042520.db2.gz QIMFCPBUIWBUOP-SDDRHHMPSA-N 1 3 228.405 1.954 20 70 BDIDHO CSC[C@H](C)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000159983226 388042523 /nfs/dbraw/zinc/04/25/23/388042523.db2.gz QIMFCPBUIWBUOP-SDDRHHMPSA-N 1 3 228.405 1.954 20 70 BDIDHO Cc1ccccc1C[C@H](C)NC[C@@H](C)[NH3+] ZINC000218299495 487647477 /nfs/dbraw/zinc/64/74/77/487647477.db2.gz DWOWGYPWDJOTOI-NEPJUHHUSA-N 1 3 206.333 1.863 20 70 BDIDHO CN(CCC[NH+]1CCCCC1)C[C@@H]1CCOC1 ZINC000161396952 349428355 /nfs/dbraw/zinc/42/83/55/349428355.db2.gz PHCWBCUGVVGTKD-AWEZNQCLSA-N 1 3 240.391 1.831 20 70 BDIDHO C[C@@H](O)C[N@H+](C)CCCN1CCCCC1 ZINC000161241504 349414631 /nfs/dbraw/zinc/41/46/31/349414631.db2.gz BBPSCNFKBMKOJI-GFCCVEGCSA-N 1 3 214.353 1.175 20 70 BDIDHO C[C@@H](O)C[N@@H+](C)CCCN1CCCCC1 ZINC000161241504 349414635 /nfs/dbraw/zinc/41/46/35/349414635.db2.gz BBPSCNFKBMKOJI-GFCCVEGCSA-N 1 3 214.353 1.175 20 70 BDIDHO C1=CCC(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000159988023 538881119 /nfs/dbraw/zinc/88/11/19/538881119.db2.gz NJQDJLUCHWGFTA-CHWSQXEVSA-N 1 3 206.333 1.921 20 70 BDIDHO C1=CCC(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000159988023 538881122 /nfs/dbraw/zinc/88/11/22/538881122.db2.gz NJQDJLUCHWGFTA-CHWSQXEVSA-N 1 3 206.333 1.921 20 70 BDIDHO C1=CCC([NH2+][C@@H]2CCN3CCC[C@@H]3C2)C1 ZINC000159988023 538881126 /nfs/dbraw/zinc/88/11/26/538881126.db2.gz NJQDJLUCHWGFTA-CHWSQXEVSA-N 1 3 206.333 1.921 20 70 BDIDHO CCC[N@H+](C)C[C@@H]1CCN(C[C@](C)(O)CC)C1 ZINC000161391227 384485970 /nfs/dbraw/zinc/48/59/70/384485970.db2.gz GDVXPUZILIQSNS-UONOGXRCSA-N 1 3 242.407 1.811 20 70 BDIDHO CCC[N@@H+](C)C[C@@H]1CCN(C[C@](C)(O)CC)C1 ZINC000161391227 384485974 /nfs/dbraw/zinc/48/59/74/384485974.db2.gz GDVXPUZILIQSNS-UONOGXRCSA-N 1 3 242.407 1.811 20 70 BDIDHO CCCN(C)C[C@@H]1CC[N@H+](C[C@](C)(O)CC)C1 ZINC000161391227 384485979 /nfs/dbraw/zinc/48/59/79/384485979.db2.gz GDVXPUZILIQSNS-UONOGXRCSA-N 1 3 242.407 1.811 20 70 BDIDHO CCCN(C)C[C@@H]1CC[N@@H+](C[C@](C)(O)CC)C1 ZINC000161391227 384485983 /nfs/dbraw/zinc/48/59/83/384485983.db2.gz GDVXPUZILIQSNS-UONOGXRCSA-N 1 3 242.407 1.811 20 70 BDIDHO Cc1ccccc1C[C@@H](C)NC[C@H](C)[NH3+] ZINC000218299565 487647109 /nfs/dbraw/zinc/64/71/09/487647109.db2.gz DWOWGYPWDJOTOI-NWDGAFQWSA-N 1 3 206.333 1.863 20 70 BDIDHO COCC[N@H+](C)CCCN1CCCCC1 ZINC000161294002 349417349 /nfs/dbraw/zinc/41/73/49/349417349.db2.gz CEQJGVNTAPJOIM-UHFFFAOYSA-N 1 3 214.353 1.441 20 70 BDIDHO COCC[N@@H+](C)CCCN1CCCCC1 ZINC000161294002 349417350 /nfs/dbraw/zinc/41/73/50/349417350.db2.gz CEQJGVNTAPJOIM-UHFFFAOYSA-N 1 3 214.353 1.441 20 70 BDIDHO CCC[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000217721780 134250332 /nfs/dbraw/zinc/25/03/32/134250332.db2.gz FSTVYYBAOIGCSS-GRYCIOLGSA-N 1 3 214.353 1.255 20 70 BDIDHO CCOCCCN1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000159504711 361241875 /nfs/dbraw/zinc/24/18/75/361241875.db2.gz YOEJPNQXGVUCCV-GHMZBOCLSA-N 1 3 200.326 1.082 20 70 BDIDHO CC[C@H](COC)N[C@@H]1CCC[NH2+]CC1 ZINC000160683642 361324128 /nfs/dbraw/zinc/32/41/28/361324128.db2.gz WMGFIDACUKEPNE-GHMZBOCLSA-N 1 3 200.326 1.143 20 70 BDIDHO CC[C@H](O)CC[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000218754006 411198100 /nfs/dbraw/zinc/19/81/00/411198100.db2.gz MTXXITMGMXJCKE-VWYCJHECSA-N 1 3 200.326 1.007 20 70 BDIDHO CC[C@H](O)CCN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000218754006 411198103 /nfs/dbraw/zinc/19/81/03/411198103.db2.gz MTXXITMGMXJCKE-VWYCJHECSA-N 1 3 200.326 1.007 20 70 BDIDHO COC[C@H]([NH2+][C@H]1CCC[C@@H](N(C)C)C1)C1CC1 ZINC000161141886 349374562 /nfs/dbraw/zinc/37/45/62/349374562.db2.gz RCPNUVYNUGJKRI-MJBXVCDLSA-N 1 3 240.391 1.874 20 70 BDIDHO COC[C@H](N[C@H]1CCC[C@@H]([NH+](C)C)C1)C1CC1 ZINC000161141886 349374566 /nfs/dbraw/zinc/37/45/66/349374566.db2.gz RCPNUVYNUGJKRI-MJBXVCDLSA-N 1 3 240.391 1.874 20 70 BDIDHO C1=CCC(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000159988273 538880958 /nfs/dbraw/zinc/88/09/58/538880958.db2.gz NJQDJLUCHWGFTA-QWHCGFSZSA-N 1 3 206.333 1.921 20 70 BDIDHO C1=CCC(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000159988273 538880959 /nfs/dbraw/zinc/88/09/59/538880959.db2.gz NJQDJLUCHWGFTA-QWHCGFSZSA-N 1 3 206.333 1.921 20 70 BDIDHO C1=CCC([NH2+][C@H]2CCN3CCC[C@@H]3C2)C1 ZINC000159988273 538880961 /nfs/dbraw/zinc/88/09/61/538880961.db2.gz NJQDJLUCHWGFTA-QWHCGFSZSA-N 1 3 206.333 1.921 20 70 BDIDHO C[C@H](O)CC[N@H+](C)CCCN1CCCCC1 ZINC000161378342 349436302 /nfs/dbraw/zinc/43/63/02/349436302.db2.gz ZXEIRNWCRVTDGG-ZDUSSCGKSA-N 1 3 228.380 1.565 20 70 BDIDHO C[C@H](O)CC[N@@H+](C)CCCN1CCCCC1 ZINC000161378342 349436306 /nfs/dbraw/zinc/43/63/06/349436306.db2.gz ZXEIRNWCRVTDGG-ZDUSSCGKSA-N 1 3 228.380 1.565 20 70 BDIDHO COC[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)C1CC1 ZINC000161142123 349374370 /nfs/dbraw/zinc/37/43/70/349374370.db2.gz RCPNUVYNUGJKRI-MCIONIFRSA-N 1 3 240.391 1.874 20 70 BDIDHO COC[C@H](N[C@@H]1CCC[C@@H]([NH+](C)C)C1)C1CC1 ZINC000161142123 349374372 /nfs/dbraw/zinc/37/43/72/349374372.db2.gz RCPNUVYNUGJKRI-MCIONIFRSA-N 1 3 240.391 1.874 20 70 BDIDHO COCC[C@H](C)[N@@H+]1CCC[C@@H](CN)C1 ZINC000218651893 363130722 /nfs/dbraw/zinc/13/07/22/363130722.db2.gz HKDKBFXDGHKVAP-QWRGUYRKSA-N 1 3 200.326 1.082 20 70 BDIDHO COCC[C@H](C)[N@H+]1CCC[C@@H](CN)C1 ZINC000218651893 363130726 /nfs/dbraw/zinc/13/07/26/363130726.db2.gz HKDKBFXDGHKVAP-QWRGUYRKSA-N 1 3 200.326 1.082 20 70 BDIDHO COCC[C@H](C)N1CCC[C@@H](C[NH3+])C1 ZINC000218651893 363130729 /nfs/dbraw/zinc/13/07/29/363130729.db2.gz HKDKBFXDGHKVAP-QWRGUYRKSA-N 1 3 200.326 1.082 20 70 BDIDHO CC[C@H](CSC)[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000217327760 346298603 /nfs/dbraw/zinc/29/86/03/346298603.db2.gz CGJXJNQAQLNWOU-MXWKQRLJSA-N 1 3 216.394 1.988 20 70 BDIDHO CN(CCC[NH+]1CCCCC1)C[C@H]1CCOC1 ZINC000161397076 349428454 /nfs/dbraw/zinc/42/84/54/349428454.db2.gz PHCWBCUGVVGTKD-CQSZACIVSA-N 1 3 240.391 1.831 20 70 BDIDHO CC[C@H](CCO)[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000217691723 357909880 /nfs/dbraw/zinc/90/98/80/357909880.db2.gz ODYBMLJLZUEXEM-MXWKQRLJSA-N 1 3 200.326 1.007 20 70 BDIDHO COC[C@H](C)C[NH2+][C@H]1CCCNCC1 ZINC000160676257 384400872 /nfs/dbraw/zinc/40/08/72/384400872.db2.gz BSZYMWCIXYJYAP-MNOVXSKESA-N 1 3 200.326 1.001 20 70 BDIDHO CCC([NH3+])(CC)CNC(=O)[C@@H](C(C)C)N(C)C ZINC000160444138 387090893 /nfs/dbraw/zinc/09/08/93/387090893.db2.gz ARBSFIKSJQCRHZ-LLVKDONJSA-N 1 3 243.395 1.206 20 70 BDIDHO CCN1CCN(CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000161247738 349414895 /nfs/dbraw/zinc/41/48/95/349414895.db2.gz HHKXSEMRJLQFBR-ZDUSSCGKSA-N 1 3 225.380 1.108 20 70 BDIDHO CCN1CCN(CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000161247738 349414896 /nfs/dbraw/zinc/41/48/96/349414896.db2.gz HHKXSEMRJLQFBR-ZDUSSCGKSA-N 1 3 225.380 1.108 20 70 BDIDHO CC[NH+](CC)C[C@H]1CCN(C[C@@](C)(O)CC)C1 ZINC000161314880 384966620 /nfs/dbraw/zinc/96/66/20/384966620.db2.gz YOLRWPQHFYBJCG-KGLIPLIRSA-N 1 3 242.407 1.811 20 70 BDIDHO CCN(CC)C[C@H]1CC[N@H+](C[C@@](C)(O)CC)C1 ZINC000161314880 384966624 /nfs/dbraw/zinc/96/66/24/384966624.db2.gz YOLRWPQHFYBJCG-KGLIPLIRSA-N 1 3 242.407 1.811 20 70 BDIDHO CCN(CC)C[C@H]1CC[N@@H+](C[C@@](C)(O)CC)C1 ZINC000161314880 384966626 /nfs/dbraw/zinc/96/66/26/384966626.db2.gz YOLRWPQHFYBJCG-KGLIPLIRSA-N 1 3 242.407 1.811 20 70 BDIDHO COCC(C)(C)NCCC[NH+]1CCCCC1 ZINC000160878211 388096282 /nfs/dbraw/zinc/09/62/82/388096282.db2.gz DLEWVANEQFPVAU-UHFFFAOYSA-N 1 3 228.380 1.877 20 70 BDIDHO C[N@H+](CCCN1CCCCC1)[C@H]1CCOC1 ZINC000161006676 384469263 /nfs/dbraw/zinc/46/92/63/384469263.db2.gz SQVZVGOUNRFXJX-ZDUSSCGKSA-N 1 3 226.364 1.583 20 70 BDIDHO C[N@@H+](CCCN1CCCCC1)[C@H]1CCOC1 ZINC000161006676 384469268 /nfs/dbraw/zinc/46/92/68/384469268.db2.gz SQVZVGOUNRFXJX-ZDUSSCGKSA-N 1 3 226.364 1.583 20 70 BDIDHO CO[C@@H]1CCC[N@H+](CCCN2CCCCC2)C1 ZINC000160882988 388098205 /nfs/dbraw/zinc/09/82/05/388098205.db2.gz VDOHOEPFIIMJNP-CQSZACIVSA-N 1 3 240.391 1.973 20 70 BDIDHO CO[C@@H]1CCC[N@@H+](CCCN2CCCCC2)C1 ZINC000160882988 388098209 /nfs/dbraw/zinc/09/82/09/388098209.db2.gz VDOHOEPFIIMJNP-CQSZACIVSA-N 1 3 240.391 1.973 20 70 BDIDHO C[C@@H](Cc1ccc(Cl)cc1)NCC[NH3+] ZINC000218187631 134251392 /nfs/dbraw/zinc/25/13/92/134251392.db2.gz FUBSTVUYRHCNSD-VIFPVBQESA-N 1 3 212.724 1.819 20 70 BDIDHO C[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)[C@@H]1CCOC1 ZINC000161026747 134835181 /nfs/dbraw/zinc/83/51/81/134835181.db2.gz AFNWDBFJZJVSSY-DGAVXFQQSA-N 1 3 240.391 1.874 20 70 BDIDHO C[C@H](Cc1ccc(F)cc1)NC[C@H](C)[NH3+] ZINC000218300085 487647392 /nfs/dbraw/zinc/64/73/92/487647392.db2.gz XIYHAARGCWDGHR-VHSXEESVSA-N 1 3 210.296 1.694 20 70 BDIDHO CCN1CCN(CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000161247824 349414998 /nfs/dbraw/zinc/41/49/98/349414998.db2.gz HHKXSEMRJLQFBR-CYBMUJFWSA-N 1 3 225.380 1.108 20 70 BDIDHO CCN1CCN(CC[C@H]2CCC[N@H+]2C)CC1 ZINC000161247824 349414999 /nfs/dbraw/zinc/41/49/99/349414999.db2.gz HHKXSEMRJLQFBR-CYBMUJFWSA-N 1 3 225.380 1.108 20 70 BDIDHO COCCCCN1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000217749861 134249588 /nfs/dbraw/zinc/24/95/88/134249588.db2.gz VICKWRAWTYSDCB-WDEREUQCSA-N 1 3 200.326 1.082 20 70 BDIDHO C[N@@H+]1CCC[C@@H]1CCN1CCCSCC1 ZINC000161476951 384492187 /nfs/dbraw/zinc/49/21/87/384492187.db2.gz XZWLRIQSLACOIH-GFCCVEGCSA-N 1 3 228.405 1.910 20 70 BDIDHO C[N@H+]1CCC[C@@H]1CCN1CCCSCC1 ZINC000161476951 384492191 /nfs/dbraw/zinc/49/21/91/384492191.db2.gz XZWLRIQSLACOIH-GFCCVEGCSA-N 1 3 228.405 1.910 20 70 BDIDHO CSC[C@H](C)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000159982974 388042190 /nfs/dbraw/zinc/04/21/90/388042190.db2.gz QIMFCPBUIWBUOP-QJPTWQEYSA-N 1 3 228.405 1.954 20 70 BDIDHO CSC[C@H](C)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000159982974 388042192 /nfs/dbraw/zinc/04/21/92/388042192.db2.gz QIMFCPBUIWBUOP-QJPTWQEYSA-N 1 3 228.405 1.954 20 70 BDIDHO