smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@@H+]1CCO[C@@H](CNC(=O)CC[C@@H]2CCC[NH2+]C2)C1 ZINC000091669130 349473392 /nfs/dbraw/zinc/47/33/92/349473392.db2.gz IBAYEKUYPPOTIL-STQMWFEESA-N 2 2 269.389 0.213 10 0 CCAELP C[N@H+]1CCO[C@@H](CNC(=O)CC[C@@H]2CCC[NH2+]C2)C1 ZINC000091669130 349473395 /nfs/dbraw/zinc/47/33/95/349473395.db2.gz IBAYEKUYPPOTIL-STQMWFEESA-N 2 2 269.389 0.213 10 0 CCAELP C[N@@H+]1CCO[C@H](CNC(=O)CC[C@@H]2CCC[NH2+]C2)C1 ZINC000091669128 349471946 /nfs/dbraw/zinc/47/19/46/349471946.db2.gz IBAYEKUYPPOTIL-QWHCGFSZSA-N 2 2 269.389 0.213 10 0 CCAELP C[N@H+]1CCO[C@H](CNC(=O)CC[C@@H]2CCC[NH2+]C2)C1 ZINC000091669128 349471949 /nfs/dbraw/zinc/47/19/49/349471949.db2.gz IBAYEKUYPPOTIL-QWHCGFSZSA-N 2 2 269.389 0.213 10 0 CCAELP CNC(=O)C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccncc3)C[C@@H]2C1 ZINC000096081420 185091339 /nfs/dbraw/zinc/09/13/39/185091339.db2.gz GPKRRLPYRMJJOB-CABCVRRESA-N 2 2 288.395 0.581 10 0 CCAELP CNC(=O)C[N@H+]1CC[C@@H]2C[NH+](Cc3ccncc3)C[C@@H]2C1 ZINC000096081420 185091341 /nfs/dbraw/zinc/09/13/41/185091341.db2.gz GPKRRLPYRMJJOB-CABCVRRESA-N 2 2 288.395 0.581 10 0 CCAELP CNC(=O)C[NH+]1CC[C@@H]2C[N@H+](Cc3ccncc3)C[C@@H]2C1 ZINC000096081420 185091343 /nfs/dbraw/zinc/09/13/43/185091343.db2.gz GPKRRLPYRMJJOB-CABCVRRESA-N 2 2 288.395 0.581 10 0 CCAELP CNC(=O)C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccncc3)C[C@@H]2C1 ZINC000096081420 185091345 /nfs/dbraw/zinc/09/13/45/185091345.db2.gz GPKRRLPYRMJJOB-CABCVRRESA-N 2 2 288.395 0.581 10 0 CCAELP CCOCC[N@@H+]1CCN(C(=O)C[NH+](C)C(C)C)C[C@H]1C ZINC000117280547 349882616 /nfs/dbraw/zinc/88/26/16/349882616.db2.gz YJXXZPJDBHFMDE-CQSZACIVSA-N 2 2 285.432 0.896 10 0 CCAELP CCOCC[N@H+]1CCN(C(=O)C[NH+](C)C(C)C)C[C@H]1C ZINC000117280547 349882617 /nfs/dbraw/zinc/88/26/17/349882617.db2.gz YJXXZPJDBHFMDE-CQSZACIVSA-N 2 2 285.432 0.896 10 0 CCAELP CCOCC[NH+]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC000117280547 349882618 /nfs/dbraw/zinc/88/26/18/349882618.db2.gz YJXXZPJDBHFMDE-CQSZACIVSA-N 2 2 285.432 0.896 10 0 CCAELP CCOCC[NH+]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC000117280547 349882619 /nfs/dbraw/zinc/88/26/19/349882619.db2.gz YJXXZPJDBHFMDE-CQSZACIVSA-N 2 2 285.432 0.896 10 0 CCAELP C[N@H+](CCCO)C1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000120226393 349975233 /nfs/dbraw/zinc/97/52/33/349975233.db2.gz MFYDJOXLVFZTRP-AWEZNQCLSA-N 2 2 283.416 0.434 10 0 CCAELP C[N@@H+](CCCO)C1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000120226393 349975237 /nfs/dbraw/zinc/97/52/37/349975237.db2.gz MFYDJOXLVFZTRP-AWEZNQCLSA-N 2 2 283.416 0.434 10 0 CCAELP CCCS(=O)(=O)CC[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261544382 137007169 /nfs/dbraw/zinc/00/71/69/137007169.db2.gz DWPQSJCSHDTZLX-QJPTWQEYSA-N 2 2 260.403 0.480 10 0 CCAELP CCCS(=O)(=O)CC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261544382 137007170 /nfs/dbraw/zinc/00/71/70/137007170.db2.gz DWPQSJCSHDTZLX-QJPTWQEYSA-N 2 2 260.403 0.480 10 0 CCAELP CC1(C)C[N@H+](CC(=O)NC(=O)NC2CC2)CC[C@H]1[NH3+] ZINC000261620984 137012598 /nfs/dbraw/zinc/01/25/98/137012598.db2.gz URUIEFDBBDEHRD-SNVBAGLBSA-N 2 2 268.361 0.034 10 0 CCAELP CC1(C)C[N@@H+](CC(=O)NC(=O)NC2CC2)CC[C@H]1[NH3+] ZINC000261620984 137012599 /nfs/dbraw/zinc/01/25/99/137012599.db2.gz URUIEFDBBDEHRD-SNVBAGLBSA-N 2 2 268.361 0.034 10 0 CCAELP COc1cc(OC)c(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)c(OC)c1 ZINC000263247565 137061799 /nfs/dbraw/zinc/06/17/99/137061799.db2.gz PMNSZVKKKIFOKB-ZWNOBZJWSA-N 2 2 296.367 0.382 10 0 CCAELP C[C@@H]1CCc2nc(C[NH2+]C[C@@H]3C[NH2+]C[C@H]3O)sc2C1 ZINC000263270598 137062225 /nfs/dbraw/zinc/06/22/25/137062225.db2.gz SBXMWLUHAFHLSW-JFGNBEQYSA-N 2 2 281.425 0.938 10 0 CCAELP CC(C)Oc1ccccc1N1CC[NH+](C[C@@H](O)C[NH3+])CC1 ZINC000034420956 348149774 /nfs/dbraw/zinc/14/97/74/348149774.db2.gz ZODFWRZKZYSGPT-AWEZNQCLSA-N 2 2 293.411 0.915 10 0 CCAELP CC[C@@H]1CN(C[C@](C)([NH2+]C)C(=O)OC)CC[N@@H+]1C ZINC000104136051 185905178 /nfs/dbraw/zinc/90/51/78/185905178.db2.gz RAZRQRNTPQZJLO-YPMHNXCESA-N 2 2 257.378 0.164 10 0 CCAELP CC[C@@H]1CN(C[C@](C)([NH2+]C)C(=O)OC)CC[N@H+]1C ZINC000104136051 185905180 /nfs/dbraw/zinc/90/51/80/185905180.db2.gz RAZRQRNTPQZJLO-YPMHNXCESA-N 2 2 257.378 0.164 10 0 CCAELP C[NH2+][C@H](C)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000054076292 348541552 /nfs/dbraw/zinc/54/15/52/348541552.db2.gz RUONRYAVKWOSIB-CYBMUJFWSA-N 2 2 291.395 0.743 10 0 CCAELP C[C@]1(C(=O)N2CC[NH+](Cc3ccncc3)CC2)CCC[NH2+]1 ZINC000079516553 349181604 /nfs/dbraw/zinc/18/16/04/349181604.db2.gz SODXHVZEBDTSJZ-MRXNPFEDSA-N 2 2 288.395 0.868 10 0 CCAELP CC[N@@H+]1CCC[C@@H](NC(=O)N(C)CC[NH+]2CCOCC2)C1 ZINC000105174355 186044432 /nfs/dbraw/zinc/04/44/32/186044432.db2.gz GQRLNADJBQITPU-CQSZACIVSA-N 2 2 298.431 0.444 10 0 CCAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)NC(N)=O)C1 ZINC000105896391 186085170 /nfs/dbraw/zinc/08/51/70/186085170.db2.gz YXCZXHIQIUVOLJ-SNVBAGLBSA-N 2 2 279.344 0.277 10 0 CCAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)NC(N)=O)C1 ZINC000105896391 186085172 /nfs/dbraw/zinc/08/51/72/186085172.db2.gz YXCZXHIQIUVOLJ-SNVBAGLBSA-N 2 2 279.344 0.277 10 0 CCAELP CCC[C@@H](C(=O)N(C)CC[NH+]1CCOCC1)[NH+](C)C ZINC000161961423 350732801 /nfs/dbraw/zinc/73/28/01/350732801.db2.gz GIYQJXISZVZDEG-ZDUSSCGKSA-N 2 2 271.405 0.507 10 0 CCAELP NS(=O)(=O)CCC[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000170914533 350873300 /nfs/dbraw/zinc/87/33/00/350873300.db2.gz BPCRLSHDAAYTSE-LBPRGKRZSA-N 2 2 298.412 0.494 10 0 CCAELP NS(=O)(=O)CCC[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000170914533 350873304 /nfs/dbraw/zinc/87/33/04/350873304.db2.gz BPCRLSHDAAYTSE-LBPRGKRZSA-N 2 2 298.412 0.494 10 0 CCAELP C[NH+]1CCN([C@@H]2CCCC[N@H+](CC(=O)NC3CC3)C2)CC1 ZINC000174887454 351109183 /nfs/dbraw/zinc/10/91/83/351109183.db2.gz MXYQMWQYBHSWJR-OAHLLOKOSA-N 2 2 294.443 0.367 10 0 CCAELP C[NH+]1CCN([C@@H]2CCCC[N@@H+](CC(=O)NC3CC3)C2)CC1 ZINC000174887454 351109190 /nfs/dbraw/zinc/10/91/90/351109190.db2.gz MXYQMWQYBHSWJR-OAHLLOKOSA-N 2 2 294.443 0.367 10 0 CCAELP CS(=O)(=O)N1CCC[N@H+](CCC[NH+]2CCCC2)CC1 ZINC000179239909 351261617 /nfs/dbraw/zinc/26/16/17/351261617.db2.gz ZHQSPZYAGSRYCN-UHFFFAOYSA-N 2 2 289.445 0.440 10 0 CCAELP CS(=O)(=O)N1CCC[N@@H+](CCC[NH+]2CCCC2)CC1 ZINC000179239909 351261619 /nfs/dbraw/zinc/26/16/19/351261619.db2.gz ZHQSPZYAGSRYCN-UHFFFAOYSA-N 2 2 289.445 0.440 10 0 CCAELP CC[C@H]1CN(Cc2c[nH]c[nH+]2)CC[N@@H+]1C[C@@H](C)O ZINC000179508242 351269509 /nfs/dbraw/zinc/26/95/09/351269509.db2.gz OVVIWZQYZGFSGX-YPMHNXCESA-N 2 2 252.362 0.687 10 0 CCAELP CC[C@H]1CN(Cc2c[nH]c[nH+]2)CC[N@H+]1C[C@@H](C)O ZINC000179508242 351269516 /nfs/dbraw/zinc/26/95/16/351269516.db2.gz OVVIWZQYZGFSGX-YPMHNXCESA-N 2 2 252.362 0.687 10 0 CCAELP CC[C@H]1CN(Cc2c[nH+]c[nH]2)CC[N@@H+]1C[C@@H](C)O ZINC000179508242 351269522 /nfs/dbraw/zinc/26/95/22/351269522.db2.gz OVVIWZQYZGFSGX-YPMHNXCESA-N 2 2 252.362 0.687 10 0 CCAELP CC[C@H]1CN(Cc2c[nH+]c[nH]2)CC[N@H+]1C[C@@H](C)O ZINC000179508242 351269528 /nfs/dbraw/zinc/26/95/28/351269528.db2.gz OVVIWZQYZGFSGX-YPMHNXCESA-N 2 2 252.362 0.687 10 0 CCAELP COC(=O)c1cn(C2CC[NH+](CC[NH2+]C(C)C)CC2)nn1 ZINC000193497368 351831082 /nfs/dbraw/zinc/83/10/82/351831082.db2.gz LHCRMYYIRZBDSS-UHFFFAOYSA-N 2 2 295.387 0.700 10 0 CCAELP Cc1cnn(C[C@H]2C[N@H+](CCn3cc[nH+]c3)CCO2)c1 ZINC000122673925 187045751 /nfs/dbraw/zinc/04/57/51/187045751.db2.gz FDKXFGADRIXGKC-CQSZACIVSA-N 2 2 275.356 0.789 10 0 CCAELP Cc1cnn(C[C@H]2C[N@@H+](CCn3cc[nH+]c3)CCO2)c1 ZINC000122673925 187045752 /nfs/dbraw/zinc/04/57/52/187045752.db2.gz FDKXFGADRIXGKC-CQSZACIVSA-N 2 2 275.356 0.789 10 0 CCAELP COc1c(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c(C)nn1C ZINC000194535415 351874132 /nfs/dbraw/zinc/87/41/32/351874132.db2.gz LJJHUWIEKLEOKQ-TXEJJXNPSA-N 2 2 264.373 0.731 10 0 CCAELP COc1c(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c(C)nn1C ZINC000194535415 351874134 /nfs/dbraw/zinc/87/41/34/351874134.db2.gz LJJHUWIEKLEOKQ-TXEJJXNPSA-N 2 2 264.373 0.731 10 0 CCAELP COc1c(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c(C)nn1C ZINC000194535415 351874138 /nfs/dbraw/zinc/87/41/38/351874138.db2.gz LJJHUWIEKLEOKQ-TXEJJXNPSA-N 2 2 264.373 0.731 10 0 CCAELP COc1c(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c(C)nn1C ZINC000194535415 351874141 /nfs/dbraw/zinc/87/41/41/351874141.db2.gz LJJHUWIEKLEOKQ-TXEJJXNPSA-N 2 2 264.373 0.731 10 0 CCAELP Cc1c(C[N@@H+]2CC[C@@](O)(C[NH+](C)C)C2)cnn1C ZINC000215296519 351934881 /nfs/dbraw/zinc/93/48/81/351934881.db2.gz NKSONNAKMKANJZ-CYBMUJFWSA-N 2 2 252.362 0.227 10 0 CCAELP Cc1c(C[N@H+]2CC[C@@](O)(C[NH+](C)C)C2)cnn1C ZINC000215296519 351934882 /nfs/dbraw/zinc/93/48/82/351934882.db2.gz NKSONNAKMKANJZ-CYBMUJFWSA-N 2 2 252.362 0.227 10 0 CCAELP NC(=O)NC(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515676 351916244 /nfs/dbraw/zinc/91/62/44/351916244.db2.gz GOTKMNZHVLIHHY-SNVBAGLBSA-N 2 2 277.328 0.010 10 0 CCAELP NC(=O)NC(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515676 351916245 /nfs/dbraw/zinc/91/62/45/351916245.db2.gz GOTKMNZHVLIHHY-SNVBAGLBSA-N 2 2 277.328 0.010 10 0 CCAELP CN(C)C(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000195515678 351916477 /nfs/dbraw/zinc/91/64/77/351916477.db2.gz LZHQHPFRZIJIQZ-LBPRGKRZSA-N 2 2 262.357 0.904 10 0 CCAELP CN(C)C(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000195515678 351916481 /nfs/dbraw/zinc/91/64/81/351916481.db2.gz LZHQHPFRZIJIQZ-LBPRGKRZSA-N 2 2 262.357 0.904 10 0 CCAELP CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H]2C[NH+](C)CCO2)C1 ZINC000246449736 352367666 /nfs/dbraw/zinc/36/76/66/352367666.db2.gz ONDONLHCKSROFE-OLZOCXBDSA-N 2 2 284.404 0.101 10 0 CCAELP CC[N@H+]1CCC[C@@H](NC(=O)NC[C@H]2C[NH+](C)CCO2)C1 ZINC000246449736 352367669 /nfs/dbraw/zinc/36/76/69/352367669.db2.gz ONDONLHCKSROFE-OLZOCXBDSA-N 2 2 284.404 0.101 10 0 CCAELP CC[NH+]1CCC[C@@H](NC(=O)NC[C@H]2C[N@H+](C)CCO2)C1 ZINC000246449736 352367672 /nfs/dbraw/zinc/36/76/72/352367672.db2.gz ONDONLHCKSROFE-OLZOCXBDSA-N 2 2 284.404 0.101 10 0 CCAELP CC[NH+]1CCC[C@@H](NC(=O)NC[C@H]2C[N@@H+](C)CCO2)C1 ZINC000246449736 352367674 /nfs/dbraw/zinc/36/76/74/352367674.db2.gz ONDONLHCKSROFE-OLZOCXBDSA-N 2 2 284.404 0.101 10 0 CCAELP CC[C@@H]1CN(Cc2[nH]cc[nH+]2)CC[N@@H+]1C[C@H](C)O ZINC000247478583 352416873 /nfs/dbraw/zinc/41/68/73/352416873.db2.gz FGLLJZVNRSKRLY-NWDGAFQWSA-N 2 2 252.362 0.687 10 0 CCAELP CC[C@@H]1CN(Cc2[nH]cc[nH+]2)CC[N@H+]1C[C@H](C)O ZINC000247478583 352416874 /nfs/dbraw/zinc/41/68/74/352416874.db2.gz FGLLJZVNRSKRLY-NWDGAFQWSA-N 2 2 252.362 0.687 10 0 CCAELP C[N@H+](CC(=O)NC[C@@H]1CCCO1)[C@H]1CCC[NH2+]CC1 ZINC000300280431 354062759 /nfs/dbraw/zinc/06/27/59/354062759.db2.gz TVBBZSBTJZJDFB-STQMWFEESA-N 2 2 269.389 0.356 10 0 CCAELP C[N@@H+](CC(=O)NC[C@@H]1CCCO1)[C@H]1CCC[NH2+]CC1 ZINC000300280431 354062765 /nfs/dbraw/zinc/06/27/65/354062765.db2.gz TVBBZSBTJZJDFB-STQMWFEESA-N 2 2 269.389 0.356 10 0 CCAELP C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000333671084 354773177 /nfs/dbraw/zinc/77/31/77/354773177.db2.gz NCSGHHQDTWMZLJ-KBPBESRZSA-N 2 2 296.415 0.101 10 0 CCAELP C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000333671084 354773182 /nfs/dbraw/zinc/77/31/82/354773182.db2.gz NCSGHHQDTWMZLJ-KBPBESRZSA-N 2 2 296.415 0.101 10 0 CCAELP CCn1ccnc1C[NH2+]C1CC[NH+](CCO)CC1 ZINC000399262969 357782046 /nfs/dbraw/zinc/78/20/46/357782046.db2.gz QRPOQZJQHNOVEQ-UHFFFAOYSA-N 2 2 252.362 0.449 10 0 CCAELP CCc1nnc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)n1C ZINC000569693897 358785884 /nfs/dbraw/zinc/78/58/84/358785884.db2.gz AJMFRYUBKULODS-SDDRHHMPSA-N 2 2 263.389 0.937 10 0 CCAELP CCc1nnc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)n1C ZINC000569693897 358785887 /nfs/dbraw/zinc/78/58/87/358785887.db2.gz AJMFRYUBKULODS-SDDRHHMPSA-N 2 2 263.389 0.937 10 0 CCAELP C[C@@H](CNc1cc[nH+]cc1C(N)=O)[N@@H+]1CCOC[C@@H]1C ZINC000302032755 201311301 /nfs/dbraw/zinc/31/13/01/201311301.db2.gz NWUQOMPXJSQXQH-QWRGUYRKSA-N 2 2 278.356 0.702 10 0 CCAELP C[C@@H](CNc1cc[nH+]cc1C(N)=O)[N@H+]1CCOC[C@@H]1C ZINC000302032755 201311303 /nfs/dbraw/zinc/31/13/03/201311303.db2.gz NWUQOMPXJSQXQH-QWRGUYRKSA-N 2 2 278.356 0.702 10 0 CCAELP Cc1cc(=O)n2nc(C[N@H+]3C[C@H](C)[C@@H](C[NH3+])C3)sc2n1 ZINC000631844412 370710106 /nfs/dbraw/zinc/71/01/06/370710106.db2.gz XDCBUYNIWXKPBB-WPRPVWTQSA-N 2 2 293.396 0.486 10 0 CCAELP Cc1cc(=O)n2nc(C[N@@H+]3C[C@H](C)[C@@H](C[NH3+])C3)sc2n1 ZINC000631844412 370710108 /nfs/dbraw/zinc/71/01/08/370710108.db2.gz XDCBUYNIWXKPBB-WPRPVWTQSA-N 2 2 293.396 0.486 10 0 CCAELP CC(C)(C)OC(=O)NCC[N@@H+]1CCCOC[C@H]1CC[NH3+] ZINC000616596621 365377758 /nfs/dbraw/zinc/37/77/58/365377758.db2.gz FCOOFYIFNRPKIQ-GFCCVEGCSA-N 2 2 287.404 0.951 10 0 CCAELP CC(C)(C)OC(=O)NCC[N@H+]1CCCOC[C@H]1CC[NH3+] ZINC000616596621 365377763 /nfs/dbraw/zinc/37/77/63/365377763.db2.gz FCOOFYIFNRPKIQ-GFCCVEGCSA-N 2 2 287.404 0.951 10 0 CCAELP C[C@@H]1CN(C(=O)Cc2cn3ccccc3[nH+]2)C[C@@H]1[NH3+] ZINC000335515066 212200997 /nfs/dbraw/zinc/20/09/97/212200997.db2.gz GLXCZDJVICSAHB-PWSUYJOCSA-N 2 2 258.325 0.682 10 0 CCAELP CO[C@@H]1CN(C(=O)CCn2cc[nH+]c2)[C@@](C)(C[NH3+])C1 ZINC000630370486 370072142 /nfs/dbraw/zinc/07/21/42/370072142.db2.gz FBYMETFWEMSRLF-WCQYABFASA-N 2 2 266.345 0.238 10 0 CCAELP COC[C@]1(C(=O)N2CCn3cc[nH+]c3C2)CCCC[NH2+]1 ZINC000638096998 374658844 /nfs/dbraw/zinc/65/88/44/374658844.db2.gz PSOBBPDNCZCCDG-AWEZNQCLSA-N 2 2 278.356 0.384 10 0 CCAELP CC[C@@H]1CN(CC[N@@H+]2CCO[C@H](C)C2)CC[NH+]1CCOC ZINC000191484385 389011936 /nfs/dbraw/zinc/01/19/36/389011936.db2.gz DMSQWVACSPGUCC-HZPDHXFCSA-N 2 2 299.459 0.750 10 0 CCAELP CC[C@@H]1CN(CC[N@H+]2CCO[C@H](C)C2)CC[NH+]1CCOC ZINC000191484385 389011938 /nfs/dbraw/zinc/01/19/38/389011938.db2.gz DMSQWVACSPGUCC-HZPDHXFCSA-N 2 2 299.459 0.750 10 0 CCAELP CC[C@@H]1CN(CC[NH+]2CCO[C@H](C)C2)CC[N@@H+]1CCOC ZINC000191484385 389011940 /nfs/dbraw/zinc/01/19/40/389011940.db2.gz DMSQWVACSPGUCC-HZPDHXFCSA-N 2 2 299.459 0.750 10 0 CCAELP CC[C@@H]1CN(CC[NH+]2CCO[C@H](C)C2)CC[N@H+]1CCOC ZINC000191484385 389011941 /nfs/dbraw/zinc/01/19/41/389011941.db2.gz DMSQWVACSPGUCC-HZPDHXFCSA-N 2 2 299.459 0.750 10 0 CCAELP Cn1ncc2c1nc[nH+]c2NC[C@H]1C[N@H+](C)CCO1 ZINC000112012751 389116731 /nfs/dbraw/zinc/11/67/31/389116731.db2.gz DQZQNVHAGRTEOK-VIFPVBQESA-N 2 2 262.317 0.106 10 0 CCAELP Cn1ncc2c1nc[nH+]c2NC[C@H]1C[N@@H+](C)CCO1 ZINC000112012751 389116734 /nfs/dbraw/zinc/11/67/34/389116734.db2.gz DQZQNVHAGRTEOK-VIFPVBQESA-N 2 2 262.317 0.106 10 0 CCAELP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC000245415256 389206221 /nfs/dbraw/zinc/20/62/21/389206221.db2.gz DBJGKXGCHFIFHC-MGPQQGTHSA-N 2 2 281.400 0.402 10 0 CCAELP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC000245415256 389206223 /nfs/dbraw/zinc/20/62/23/389206223.db2.gz DBJGKXGCHFIFHC-MGPQQGTHSA-N 2 2 281.400 0.402 10 0 CCAELP CC[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000245415256 389206224 /nfs/dbraw/zinc/20/62/24/389206224.db2.gz DBJGKXGCHFIFHC-MGPQQGTHSA-N 2 2 281.400 0.402 10 0 CCAELP CC[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000245415256 389206225 /nfs/dbraw/zinc/20/62/25/389206225.db2.gz DBJGKXGCHFIFHC-MGPQQGTHSA-N 2 2 281.400 0.402 10 0 CCAELP CCC[C@@H](C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1)[NH+](C)C ZINC000155966453 389323076 /nfs/dbraw/zinc/32/30/76/389323076.db2.gz PWMJJYBUVIYCIO-KBPBESRZSA-N 2 2 283.416 0.696 10 0 CCAELP CCC[C@@H](C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1)[NH+](C)C ZINC000155966453 389323077 /nfs/dbraw/zinc/32/30/77/389323077.db2.gz PWMJJYBUVIYCIO-KBPBESRZSA-N 2 2 283.416 0.696 10 0 CCAELP CCOCC[N@@H+]1CCN(Cc2c[nH+]cn2C)C[C@@H]1C ZINC000177054663 389570039 /nfs/dbraw/zinc/57/00/39/389570039.db2.gz ORLGCVOIDRZLKI-ZDUSSCGKSA-N 2 2 266.389 0.963 10 0 CCAELP CCOCC[N@H+]1CCN(Cc2c[nH+]cn2C)C[C@@H]1C ZINC000177054663 389570044 /nfs/dbraw/zinc/57/00/44/389570044.db2.gz ORLGCVOIDRZLKI-ZDUSSCGKSA-N 2 2 266.389 0.963 10 0 CCAELP CC(C)[N@H+](C)CC(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000276789836 389541032 /nfs/dbraw/zinc/54/10/32/389541032.db2.gz VJJVTRDFVYJVCO-ZDUSSCGKSA-N 2 2 293.415 0.575 10 0 CCAELP CC(C)[N@@H+](C)CC(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000276789836 389541033 /nfs/dbraw/zinc/54/10/33/389541033.db2.gz VJJVTRDFVYJVCO-ZDUSSCGKSA-N 2 2 293.415 0.575 10 0 CCAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ncnn1C ZINC000177372702 389581207 /nfs/dbraw/zinc/58/12/07/389581207.db2.gz HEDJMYFSJFNMEL-GFCCVEGCSA-N 2 2 260.345 0.985 10 0 CCAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ncnn1C ZINC000177372702 389581209 /nfs/dbraw/zinc/58/12/09/389581209.db2.gz HEDJMYFSJFNMEL-GFCCVEGCSA-N 2 2 260.345 0.985 10 0 CCAELP CC(C)[C@H](C(=O)NC[C@@H]1C[N@H+](C)CCO1)[C@H](C)[NH3+] ZINC000399453013 389791268 /nfs/dbraw/zinc/79/12/68/389791268.db2.gz RYVDJJPIIPVEQG-TUAOUCFPSA-N 2 2 257.378 0.053 10 0 CCAELP CC(C)[C@H](C(=O)NC[C@@H]1C[N@@H+](C)CCO1)[C@H](C)[NH3+] ZINC000399453013 389791271 /nfs/dbraw/zinc/79/12/71/389791271.db2.gz RYVDJJPIIPVEQG-TUAOUCFPSA-N 2 2 257.378 0.053 10 0 CCAELP CC(C)n1nnnc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000571325752 390731133 /nfs/dbraw/zinc/73/11/33/390731133.db2.gz RQWAWRRXQIPRPE-HBNTYKKESA-N 2 2 250.350 0.423 10 0 CCAELP CC(C)n1nnnc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000571325752 390731134 /nfs/dbraw/zinc/73/11/34/390731134.db2.gz RQWAWRRXQIPRPE-HBNTYKKESA-N 2 2 250.350 0.423 10 0 CCAELP Nc1ccc(N2CC[NH+](C[C@@H]3CCCO3)CC2)c[nH+]1 ZINC000035367744 134795174 /nfs/dbraw/zinc/79/51/74/134795174.db2.gz UEIPKYSDZQWUFT-ZDUSSCGKSA-N 2 2 262.357 0.965 10 0 CCAELP CCOCC(=O)N1CC[NH+]([C@H](CC)CC[NH3+])CC1 ZINC000037038931 172906790 /nfs/dbraw/zinc/90/67/90/172906790.db2.gz OAAXJMSEXAOOFG-GFCCVEGCSA-N 2 2 257.378 0.295 10 0 CCAELP Cc1cc(NC(=O)[C@H]2CCC[N@@H+]2C2CC[NH2+]CC2)n(C)n1 ZINC000038042937 174047608 /nfs/dbraw/zinc/04/76/08/174047608.db2.gz NKFGBFZSXSIUGD-CYBMUJFWSA-N 2 2 291.399 0.883 10 0 CCAELP Cc1cc(NC(=O)[C@H]2CCC[N@H+]2C2CC[NH2+]CC2)n(C)n1 ZINC000038042937 174047610 /nfs/dbraw/zinc/04/76/10/174047610.db2.gz NKFGBFZSXSIUGD-CYBMUJFWSA-N 2 2 291.399 0.883 10 0 CCAELP O=C(NC1CCOCC1)[C@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000038043253 174050226 /nfs/dbraw/zinc/05/02/26/174050226.db2.gz NDCXHEAJQVQZAY-CQSZACIVSA-N 2 2 281.400 0.498 10 0 CCAELP O=C(NC1CCOCC1)[C@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000038043253 174050227 /nfs/dbraw/zinc/05/02/27/174050227.db2.gz NDCXHEAJQVQZAY-CQSZACIVSA-N 2 2 281.400 0.498 10 0 CCAELP CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000662702626 414743567 /nfs/dbraw/zinc/74/35/67/414743567.db2.gz AKYCJUZIRWKQFK-ZJUUUORDSA-N 2 2 261.316 0.584 10 0 CCAELP CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000662702626 414743568 /nfs/dbraw/zinc/74/35/68/414743568.db2.gz AKYCJUZIRWKQFK-ZJUUUORDSA-N 2 2 261.316 0.584 10 0 CCAELP CC[C@@H]([NH3+])[C@@H](c1ccc(F)cc1)[NH+](CCO)CCO ZINC000042914913 174914030 /nfs/dbraw/zinc/91/40/30/174914030.db2.gz WSTGOISCTKKSEI-ZIAGYGMSSA-N 2 2 270.348 0.891 10 0 CCAELP [NH3+]C1(CC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)CCC1 ZINC000094295422 544543940 /nfs/dbraw/zinc/54/39/40/544543940.db2.gz YCQVMYHXZWOWEM-GFCCVEGCSA-N 2 2 267.373 0.191 10 0 CCAELP C[C@H](CNC(=O)c1ccc(C[NH3+])o1)[NH+]1CCOCC1 ZINC000164913124 544721167 /nfs/dbraw/zinc/72/11/67/544721167.db2.gz MHLXICSDZYUITB-SNVBAGLBSA-N 2 2 267.329 0.189 10 0 CCAELP COc1cc[nH+]c(CN2C[C@H]([NH3+])[C@@H](C)C2)c1OC ZINC000234999780 544871935 /nfs/dbraw/zinc/87/19/35/544871935.db2.gz NCBJFZHFIHMSKB-UWVGGRQHSA-N 2 2 251.330 0.878 10 0 CCAELP C[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)[NH+]1CCOCC1 ZINC000332829515 545034687 /nfs/dbraw/zinc/03/46/87/545034687.db2.gz AYRHQXNUKYLSQB-QWHCGFSZSA-N 2 2 296.415 0.243 10 0 CCAELP C[C@@H](CNC(=O)N[C@@H]1CC[N@H+](C2CC2)C1)[NH+]1CCOCC1 ZINC000332829515 545034688 /nfs/dbraw/zinc/03/46/88/545034688.db2.gz AYRHQXNUKYLSQB-QWHCGFSZSA-N 2 2 296.415 0.243 10 0 CCAELP CC(C)[C@@H](CNC(=O)[C@@H]1COCC[NH2+]1)[NH+]1CCC(C)CC1 ZINC000164906013 275982400 /nfs/dbraw/zinc/98/24/00/275982400.db2.gz PMZUNJIRAQLDOA-LSDHHAIUSA-N 2 2 297.443 0.848 10 0 CCAELP CC1(C)CCC[NH2+][C@@H]1C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000232801720 278220702 /nfs/dbraw/zinc/22/07/02/278220702.db2.gz JQHXOABGMHNMFP-UONOGXRCSA-N 2 2 295.427 0.698 10 0 CCAELP Cn1cc(N2CC[C@@H]([N@@H+]3CC[C@H]([NH3+])C(C)(C)C3)C2=O)cn1 ZINC000261645618 279340425 /nfs/dbraw/zinc/34/04/25/279340425.db2.gz GTBGLWPQGSEJRI-OLZOCXBDSA-N 2 2 291.399 0.585 10 0 CCAELP Cn1cc(N2CC[C@@H]([N@H+]3CC[C@H]([NH3+])C(C)(C)C3)C2=O)cn1 ZINC000261645618 279340427 /nfs/dbraw/zinc/34/04/27/279340427.db2.gz GTBGLWPQGSEJRI-OLZOCXBDSA-N 2 2 291.399 0.585 10 0 CCAELP CC[C@@H](C)NC(=O)[C@H](C)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193649738 280110440 /nfs/dbraw/zinc/11/04/40/280110440.db2.gz FDSZUUWWSKPXTQ-XQHKEYJVSA-N 2 2 253.390 0.783 10 0 CCAELP CC[C@@H](C)NC(=O)[C@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193649738 280110442 /nfs/dbraw/zinc/11/04/42/280110442.db2.gz FDSZUUWWSKPXTQ-XQHKEYJVSA-N 2 2 253.390 0.783 10 0 CCAELP CC[C@@H](C)NC(=O)[C@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193649738 280110443 /nfs/dbraw/zinc/11/04/43/280110443.db2.gz FDSZUUWWSKPXTQ-XQHKEYJVSA-N 2 2 253.390 0.783 10 0 CCAELP CC[C@@H](C)NC(=O)[C@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193649738 280110444 /nfs/dbraw/zinc/11/04/44/280110444.db2.gz FDSZUUWWSKPXTQ-XQHKEYJVSA-N 2 2 253.390 0.783 10 0 CCAELP [NH3+][C@H](C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)c1ccccc1 ZINC000062976792 295328168 /nfs/dbraw/zinc/32/81/68/295328168.db2.gz YRCQHBZAGZLONQ-CABCVRRESA-N 2 2 289.379 0.620 10 0 CCAELP CC(C)[NH2+][C@H](CC[N@@H+]1CCO[C@H]2CCC[C@@H]21)C(N)=O ZINC000062461397 519738402 /nfs/dbraw/zinc/73/84/02/519738402.db2.gz ROCTVZUQICETEW-AGIUHOORSA-N 2 2 269.389 0.482 10 0 CCAELP CC(C)[NH2+][C@H](CC[N@H+]1CCO[C@H]2CCC[C@@H]21)C(N)=O ZINC000062461397 519738403 /nfs/dbraw/zinc/73/84/03/519738403.db2.gz ROCTVZUQICETEW-AGIUHOORSA-N 2 2 269.389 0.482 10 0 CCAELP CCC[NH2+][C@H](CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[O-] ZINC000062443226 520069059 /nfs/dbraw/zinc/06/90/59/520069059.db2.gz TUTDVPKNDLNXEZ-CYBMUJFWSA-N 2 2 271.405 0.855 10 0 CCAELP CCC[NH2+][C@H](CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[O-] ZINC000062443226 520069064 /nfs/dbraw/zinc/06/90/64/520069064.db2.gz TUTDVPKNDLNXEZ-CYBMUJFWSA-N 2 2 271.405 0.855 10 0 CCAELP C[NH2+][C@@H](CC[N@H+](C)CCc1ccncc1)C(N)=O ZINC000062452499 522342188 /nfs/dbraw/zinc/34/21/88/522342188.db2.gz VZSIFLBGWABSEG-LBPRGKRZSA-N 2 2 250.346 0.019 10 0 CCAELP C[NH2+][C@@H](CC[N@@H+](C)CCc1ccncc1)C(N)=O ZINC000062452499 522342191 /nfs/dbraw/zinc/34/21/91/522342191.db2.gz VZSIFLBGWABSEG-LBPRGKRZSA-N 2 2 250.346 0.019 10 0 CCAELP CC(C)[NH2+]C[C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000053012455 519723585 /nfs/dbraw/zinc/72/35/85/519723585.db2.gz XDMSPTTUIFGEMR-AWEZNQCLSA-N 2 2 255.406 0.639 10 0 CCAELP CCC[NH2+][C@@H](CC[N@@H+]1CCOC[C@@H]1CC)C(N)=O ZINC000062451018 520001616 /nfs/dbraw/zinc/00/16/16/520001616.db2.gz WEQXPKICTPYCAK-RYUDHWBXSA-N 2 2 257.378 0.341 10 0 CCAELP CCC[NH2+][C@@H](CC[N@H+]1CCOC[C@@H]1CC)C(N)=O ZINC000062451018 520001627 /nfs/dbraw/zinc/00/16/27/520001627.db2.gz WEQXPKICTPYCAK-RYUDHWBXSA-N 2 2 257.378 0.341 10 0 CCAELP CCCC[C@@H](C[NH3+])[NH+]1CCN(CC[NH+](C)C)CC1 ZINC000061643143 521045123 /nfs/dbraw/zinc/04/51/23/521045123.db2.gz QNQWMTQVJNTZAM-AWEZNQCLSA-N 3 2 256.438 0.683 10 0 CCAELP CC[NH+]1CCC([N@H+](C)CC[C@@H]([NH2+]C)C(=O)[O-])CC1 ZINC000062462961 521559971 /nfs/dbraw/zinc/55/99/71/521559971.db2.gz GLMZYQSQIFMDET-GFCCVEGCSA-N 2 2 257.378 0.465 10 0 CCAELP CC[NH+]1CCC([N@@H+](C)CC[C@@H]([NH2+]C)C(=O)[O-])CC1 ZINC000062462961 521559978 /nfs/dbraw/zinc/55/99/78/521559978.db2.gz GLMZYQSQIFMDET-GFCCVEGCSA-N 2 2 257.378 0.465 10 0 CCAELP NC(=[NH2+])c1ccc(N2CC[NH+](CCO)CC2)c(Cl)c1 ZINC000062794042 526823484 /nfs/dbraw/zinc/82/34/84/526823484.db2.gz IZCYHUNAVUDOCM-UHFFFAOYSA-N 2 2 282.775 0.738 10 0 CCAELP Cn1cc([C@H](C[NH3+])[N@@H+]2CCC[C@@H]2CCCO)cn1 ZINC000052757196 527312703 /nfs/dbraw/zinc/31/27/03/527312703.db2.gz BQTMRQQQHMUPER-OLZOCXBDSA-N 2 2 252.362 0.657 10 0 CCAELP Cn1cc([C@H](C[NH3+])[N@H+]2CCC[C@@H]2CCCO)cn1 ZINC000052757196 527312706 /nfs/dbraw/zinc/31/27/06/527312706.db2.gz BQTMRQQQHMUPER-OLZOCXBDSA-N 2 2 252.362 0.657 10 0 CCAELP CC(C)S(=O)(=O)CC[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261548617 535094827 /nfs/dbraw/zinc/09/48/27/535094827.db2.gz JTVVKSJDRHZBCN-NWDGAFQWSA-N 2 2 260.403 0.351 10 0 CCAELP CC(C)S(=O)(=O)CC[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261548617 535094831 /nfs/dbraw/zinc/09/48/31/535094831.db2.gz JTVVKSJDRHZBCN-NWDGAFQWSA-N 2 2 260.403 0.351 10 0 CCAELP CN(C)C(=O)C[N@@H+]1CCc2c(C[NH+](C)C)cncc2C1 ZINC000096067397 185085847 /nfs/dbraw/zinc/08/58/47/185085847.db2.gz JOHTZUIRXABOCV-UHFFFAOYSA-N 2 2 276.384 0.590 10 0 CCAELP CN(C)C(=O)C[N@H+]1CCc2c(C[NH+](C)C)cncc2C1 ZINC000096067397 185085849 /nfs/dbraw/zinc/08/58/49/185085849.db2.gz JOHTZUIRXABOCV-UHFFFAOYSA-N 2 2 276.384 0.590 10 0 CCAELP C[C@@H]1C[C@@H](NC[C@H]2C[NH+](C)CCO2)C[N@@H+]1C1CC1 ZINC000252728120 137004004 /nfs/dbraw/zinc/00/40/04/137004004.db2.gz ZQDNAOKLOPUQGR-BZPMIXESSA-N 2 2 253.390 0.532 10 0 CCAELP C[C@@H]1C[C@@H](NC[C@H]2C[NH+](C)CCO2)C[N@H+]1C1CC1 ZINC000252728120 137004005 /nfs/dbraw/zinc/00/40/05/137004005.db2.gz ZQDNAOKLOPUQGR-BZPMIXESSA-N 2 2 253.390 0.532 10 0 CCAELP C[C@@H]1C[C@@H](NC[C@H]2C[N@H+](C)CCO2)C[NH+]1C1CC1 ZINC000252728120 137004006 /nfs/dbraw/zinc/00/40/06/137004006.db2.gz ZQDNAOKLOPUQGR-BZPMIXESSA-N 2 2 253.390 0.532 10 0 CCAELP C[C@@H]1C[C@@H](NC[C@H]2C[N@@H+](C)CCO2)C[NH+]1C1CC1 ZINC000252728120 137004007 /nfs/dbraw/zinc/00/40/07/137004007.db2.gz ZQDNAOKLOPUQGR-BZPMIXESSA-N 2 2 253.390 0.532 10 0 CCAELP C[NH+]1CCN(C(=O)c2c[nH]nc2[C@H]2CCC[NH2+]C2)CC1 ZINC000261657315 137014514 /nfs/dbraw/zinc/01/45/14/137014514.db2.gz WTFFCOMKKARGIQ-NSHDSACASA-N 2 2 277.372 0.264 10 0 CCAELP COC[C@@H]([NH3+])C(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000262394008 137042095 /nfs/dbraw/zinc/04/20/95/137042095.db2.gz ZBWHJYYQNIIZKL-CYBMUJFWSA-N 2 2 292.383 0.449 10 0 CCAELP O=C(CC[C@H]1CCC[NH2+]1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000261856053 137022949 /nfs/dbraw/zinc/02/29/49/137022949.db2.gz XFNHDHCCSQOYSV-ZIAGYGMSSA-N 2 2 281.400 0.452 10 0 CCAELP C[NH2+]CCC1CCN(C(=O)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000262006102 137027859 /nfs/dbraw/zinc/02/78/59/137027859.db2.gz GVWOQBRPYXCEOI-ZDUSSCGKSA-N 2 2 283.416 0.555 10 0 CCAELP O=C(NCc1ccc(N2CCCC2)[nH+]c1)C1C[NH2+]C1 ZINC000262295145 137035730 /nfs/dbraw/zinc/03/57/30/137035730.db2.gz YMOPBPRMPQXFDS-UHFFFAOYSA-N 2 2 260.341 0.517 10 0 CCAELP Cc1[nH+]c2ccccc2n1CC(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262293260 137035990 /nfs/dbraw/zinc/03/59/90/137035990.db2.gz OWRBNWSDQFBWHJ-RISCZKNCSA-N 2 2 288.351 0.041 10 0 CCAELP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cnc(C(F)(F)F)s1 ZINC000263281650 137062548 /nfs/dbraw/zinc/06/25/48/137062548.db2.gz UIRRPKUDHGHUPK-XPUUQOCRSA-N 2 2 281.303 0.832 10 0 CCAELP CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000040633163 348240064 /nfs/dbraw/zinc/24/00/64/348240064.db2.gz CRVVNSPRPQWGAM-NWDGAFQWSA-N 2 2 287.323 0.583 10 0 CCAELP O=C(CC[C@@H]1CCC[NH2+]C1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000062976756 348674647 /nfs/dbraw/zinc/67/46/47/348674647.db2.gz RDDBJNDLURYPOO-LSDHHAIUSA-N 2 2 295.427 0.699 10 0 CCAELP CN(C)c1[nH+]cc(C[NH2+]C[C@H]2CCC[C@H]2O)n1C ZINC000089159738 349377659 /nfs/dbraw/zinc/37/76/59/349377659.db2.gz VGKDGVZKRCRMOF-ZYHUDNBSSA-N 2 2 252.362 0.737 10 0 CCAELP CC(C)[N@H+](C)CC(=O)NC[C@@H]1C[NH+](C2CC2)CCO1 ZINC000127120672 350161936 /nfs/dbraw/zinc/16/19/36/350161936.db2.gz VMAIMHRHGXWZRC-CYBMUJFWSA-N 2 2 269.389 0.306 10 0 CCAELP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](C2CC2)CCO1 ZINC000127120672 350161939 /nfs/dbraw/zinc/16/19/39/350161939.db2.gz VMAIMHRHGXWZRC-CYBMUJFWSA-N 2 2 269.389 0.306 10 0 CCAELP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000127120672 350161941 /nfs/dbraw/zinc/16/19/41/350161941.db2.gz VMAIMHRHGXWZRC-CYBMUJFWSA-N 2 2 269.389 0.306 10 0 CCAELP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000127120672 350161944 /nfs/dbraw/zinc/16/19/44/350161944.db2.gz VMAIMHRHGXWZRC-CYBMUJFWSA-N 2 2 269.389 0.306 10 0 CCAELP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)CC[N@H+]1C ZINC000151251294 350496776 /nfs/dbraw/zinc/49/67/76/350496776.db2.gz OWJJQEPWRUQMSI-ILXRZTDVSA-N 3 2 269.433 0.906 10 0 CCAELP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171900971 350941048 /nfs/dbraw/zinc/94/10/48/350941048.db2.gz GDEQSKZIJFGREU-ZIAGYGMSSA-N 2 2 296.415 0.197 10 0 CCAELP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171900971 350941049 /nfs/dbraw/zinc/94/10/49/350941049.db2.gz GDEQSKZIJFGREU-ZIAGYGMSSA-N 2 2 296.415 0.197 10 0 CCAELP CC(C)NC(=O)C[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000176525639 351178353 /nfs/dbraw/zinc/17/83/53/351178353.db2.gz SMELUKGLWSHPSY-HNNXBMFYSA-N 2 2 296.459 0.613 10 0 CCAELP C[C@@H]1CN(C(=O)C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C[C@H](C)O1 ZINC000193641259 351838294 /nfs/dbraw/zinc/83/82/94/351838294.db2.gz YILJQIHYVQMPAV-KPWCQOOUSA-N 2 2 281.400 0.116 10 0 CCAELP C[C@@H]1CN(C(=O)C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C[C@H](C)O1 ZINC000193641259 351838295 /nfs/dbraw/zinc/83/82/95/351838295.db2.gz YILJQIHYVQMPAV-KPWCQOOUSA-N 2 2 281.400 0.116 10 0 CCAELP C[C@@H]1CN(C(=O)C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)C[C@H](C)O1 ZINC000193641259 351838298 /nfs/dbraw/zinc/83/82/98/351838298.db2.gz YILJQIHYVQMPAV-KPWCQOOUSA-N 2 2 281.400 0.116 10 0 CCAELP C[C@@H]1CN(C(=O)C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)C[C@H](C)O1 ZINC000193641259 351838300 /nfs/dbraw/zinc/83/83/00/351838300.db2.gz YILJQIHYVQMPAV-KPWCQOOUSA-N 2 2 281.400 0.116 10 0 CCAELP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193648139 351838647 /nfs/dbraw/zinc/83/86/47/351838647.db2.gz XKSQOBCOAKSKHV-MQYQWHSLSA-N 2 2 281.400 0.164 10 0 CCAELP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193648139 351838651 /nfs/dbraw/zinc/83/86/51/351838651.db2.gz XKSQOBCOAKSKHV-MQYQWHSLSA-N 2 2 281.400 0.164 10 0 CCAELP C[C@H](C(=O)NC[C@@H]1CCCO1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193648139 351838653 /nfs/dbraw/zinc/83/86/53/351838653.db2.gz XKSQOBCOAKSKHV-MQYQWHSLSA-N 2 2 281.400 0.164 10 0 CCAELP C[C@H](C(=O)NC[C@@H]1CCCO1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193648139 351838656 /nfs/dbraw/zinc/83/86/56/351838656.db2.gz XKSQOBCOAKSKHV-MQYQWHSLSA-N 2 2 281.400 0.164 10 0 CCAELP CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@H]2C[NH+](C)CCO2)C1 ZINC000246562836 352373829 /nfs/dbraw/zinc/37/38/29/352373829.db2.gz ZMPWOGFEQNMRAA-KBPBESRZSA-N 2 2 298.431 0.348 10 0 CCAELP CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@H]2C[NH+](C)CCO2)C1 ZINC000246562836 352373832 /nfs/dbraw/zinc/37/38/32/352373832.db2.gz ZMPWOGFEQNMRAA-KBPBESRZSA-N 2 2 298.431 0.348 10 0 CCAELP CCC[NH+]1CC[C@@H](CNC(=O)NC[C@H]2C[N@H+](C)CCO2)C1 ZINC000246562836 352373835 /nfs/dbraw/zinc/37/38/35/352373835.db2.gz ZMPWOGFEQNMRAA-KBPBESRZSA-N 2 2 298.431 0.348 10 0 CCAELP CCC[NH+]1CC[C@@H](CNC(=O)NC[C@H]2C[N@@H+](C)CCO2)C1 ZINC000246562836 352373838 /nfs/dbraw/zinc/37/38/38/352373838.db2.gz ZMPWOGFEQNMRAA-KBPBESRZSA-N 2 2 298.431 0.348 10 0 CCAELP C[C@@H](CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)[NH+]1CCOCC1 ZINC000247471602 352415870 /nfs/dbraw/zinc/41/58/70/352415870.db2.gz HDEMWNBXQHDBAH-KBPBESRZSA-N 2 2 296.415 0.197 10 0 CCAELP C[C@@H](CNC(=O)N1CC[N@H+]2CCC[C@H]2C1)[NH+]1CCOCC1 ZINC000247471602 352415872 /nfs/dbraw/zinc/41/58/72/352415872.db2.gz HDEMWNBXQHDBAH-KBPBESRZSA-N 2 2 296.415 0.197 10 0 CCAELP C[N@@H+]1CCO[C@@H](C(=O)N(C[C@H]2CCC[NH2+]2)C2CC2)C1 ZINC000249074631 352476629 /nfs/dbraw/zinc/47/66/29/352476629.db2.gz AROOAZNMAAIWBF-DGCLKSJQSA-N 2 2 267.373 0.060 10 0 CCAELP C[N@H+]1CCO[C@@H](C(=O)N(C[C@H]2CCC[NH2+]2)C2CC2)C1 ZINC000249074631 352476633 /nfs/dbraw/zinc/47/66/33/352476633.db2.gz AROOAZNMAAIWBF-DGCLKSJQSA-N 2 2 267.373 0.060 10 0 CCAELP Cc1nc(N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)cc[nH+]1 ZINC000266442448 352702456 /nfs/dbraw/zinc/70/24/56/352702456.db2.gz WHWXQIBAVNYXOX-MNOVXSKESA-N 2 2 250.346 0.676 10 0 CCAELP Cc1nc(N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)cc[nH+]1 ZINC000266442448 352702459 /nfs/dbraw/zinc/70/24/59/352702459.db2.gz WHWXQIBAVNYXOX-MNOVXSKESA-N 2 2 250.346 0.676 10 0 CCAELP O=C1NCCN1CC[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000328685511 202010247 /nfs/dbraw/zinc/01/02/47/202010247.db2.gz XMLQGTNKBOHKLW-ZDUSSCGKSA-N 2 2 276.340 0.764 10 0 CCAELP O=C1NCCN1CC[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000328685511 202010250 /nfs/dbraw/zinc/01/02/50/202010250.db2.gz XMLQGTNKBOHKLW-ZDUSSCGKSA-N 2 2 276.340 0.764 10 0 CCAELP CN(C[C@H]1CCn2cc[nH+]c2C1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000328636947 354243646 /nfs/dbraw/zinc/24/36/46/354243646.db2.gz VUPLKAOHZAMJAV-QWHCGFSZSA-N 2 2 292.383 0.235 10 0 CCAELP CN(C[C@H]1CCn2cc[nH+]c2C1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000328636947 354243649 /nfs/dbraw/zinc/24/36/49/354243649.db2.gz VUPLKAOHZAMJAV-QWHCGFSZSA-N 2 2 292.383 0.235 10 0 CCAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cn(C)nn1 ZINC000328599588 354233621 /nfs/dbraw/zinc/23/36/21/354233621.db2.gz CFNNXNRSHJCTFQ-ZDUSSCGKSA-N 2 2 260.345 0.985 10 0 CCAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cn(C)nn1 ZINC000328599588 354233624 /nfs/dbraw/zinc/23/36/24/354233624.db2.gz CFNNXNRSHJCTFQ-ZDUSSCGKSA-N 2 2 260.345 0.985 10 0 CCAELP Cc1nc2[nH]ccc2c(NC[C@@H]2C[NH2+]CCCO2)[nH+]1 ZINC000333664275 354772308 /nfs/dbraw/zinc/77/23/08/354772308.db2.gz MBYQHBAEAFGBRQ-JTQLQIEISA-N 2 2 261.329 0.479 10 0 CCAELP Nc1[nH+]cnc(N2CC[C@H]3[NH2+]CC[C@H]3C2)c1Cl ZINC000333916138 354815321 /nfs/dbraw/zinc/81/53/21/354815321.db2.gz NBHUXGJXQIKXFL-JGVFFNPUSA-N 2 2 253.737 0.900 10 0 CCAELP Nc1nc[nH+]c(N2CC[C@H]3[NH2+]CC[C@H]3C2)c1Cl ZINC000333916138 354815323 /nfs/dbraw/zinc/81/53/23/354815323.db2.gz NBHUXGJXQIKXFL-JGVFFNPUSA-N 2 2 253.737 0.900 10 0 CCAELP CN(c1cc(N2CCC[C@H]2CO)nc[nH+]1)C1CC([NH3+])C1 ZINC000333925477 354816080 /nfs/dbraw/zinc/81/60/80/354816080.db2.gz UPUVGZOZUQVGIY-CXQJBGSLSA-N 2 2 277.372 0.364 10 0 CCAELP CN(c1cc(N2CCC[C@H]2CO)[nH+]cn1)C1CC([NH3+])C1 ZINC000333925477 354816082 /nfs/dbraw/zinc/81/60/82/354816082.db2.gz UPUVGZOZUQVGIY-CXQJBGSLSA-N 2 2 277.372 0.364 10 0 CCAELP COC[C@H]([NH3+])C(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000396377711 357762274 /nfs/dbraw/zinc/76/22/74/357762274.db2.gz PBCHHKOASZMNQW-ZFWWWQNUSA-N 2 2 291.395 0.693 10 0 CCAELP COC[C@H]([NH3+])C(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000396377711 357762277 /nfs/dbraw/zinc/76/22/77/357762277.db2.gz PBCHHKOASZMNQW-ZFWWWQNUSA-N 2 2 291.395 0.693 10 0 CCAELP CCCCn1nnnc1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631843091 370707983 /nfs/dbraw/zinc/70/79/83/370707983.db2.gz JFVRUPXSNOCOIW-WDEREUQCSA-N 2 2 252.366 0.500 10 0 CCAELP CCCCn1nnnc1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631843091 370707985 /nfs/dbraw/zinc/70/79/85/370707985.db2.gz JFVRUPXSNOCOIW-WDEREUQCSA-N 2 2 252.366 0.500 10 0 CCAELP CO[C@H]1C[N@H+](CCn2cc(C)cn2)[C@@](C)(C[NH3+])C1 ZINC000630365484 370066742 /nfs/dbraw/zinc/06/67/42/370066742.db2.gz IKMXAZNBDXICCB-CHWSQXEVSA-N 2 2 252.362 0.630 10 0 CCAELP CO[C@H]1C[N@@H+](CCn2cc(C)cn2)[C@@](C)(C[NH3+])C1 ZINC000630365484 370066746 /nfs/dbraw/zinc/06/67/46/370066746.db2.gz IKMXAZNBDXICCB-CHWSQXEVSA-N 2 2 252.362 0.630 10 0 CCAELP CO[C@@H]1C[N@H+](CCCc2nc(C)no2)[C@@](C)(C[NH3+])C1 ZINC000630370105 370072208 /nfs/dbraw/zinc/07/22/08/370072208.db2.gz YPHASCVFDRHKIF-WCQYABFASA-N 2 2 268.361 0.749 10 0 CCAELP CO[C@@H]1C[N@@H+](CCCc2nc(C)no2)[C@@](C)(C[NH3+])C1 ZINC000630370105 370072215 /nfs/dbraw/zinc/07/22/15/370072215.db2.gz YPHASCVFDRHKIF-WCQYABFASA-N 2 2 268.361 0.749 10 0 CCAELP C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000392921916 285206458 /nfs/dbraw/zinc/20/64/58/285206458.db2.gz JVWDZHHWRGTUNG-MWLCHTKSSA-N 2 2 265.361 0.243 10 0 CCAELP OCC[NH2+]CC[NH2+]Cc1cccc(Oc2ncccn2)c1 ZINC000022937312 388798769 /nfs/dbraw/zinc/79/87/69/388798769.db2.gz NQHDRCAFJYDCNF-UHFFFAOYSA-N 2 2 288.351 0.940 10 0 CCAELP C[N@@H+]1CCO[C@@H](C(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)C1 ZINC000186527214 388839640 /nfs/dbraw/zinc/83/96/40/388839640.db2.gz AROOAZNMAAIWBF-WCQYABFASA-N 2 2 267.373 0.060 10 0 CCAELP C[N@H+]1CCO[C@@H](C(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)C1 ZINC000186527214 388839644 /nfs/dbraw/zinc/83/96/44/388839644.db2.gz AROOAZNMAAIWBF-WCQYABFASA-N 2 2 267.373 0.060 10 0 CCAELP C[C@H](O)C[N@@H+]1CCN(c2cc[nH+]cc2C(N)=O)C[C@H]1C ZINC000302029885 389062527 /nfs/dbraw/zinc/06/25/27/389062527.db2.gz MQWVGVHKYGKPKP-MNOVXSKESA-N 2 2 278.356 0.072 10 0 CCAELP C[C@H](O)C[N@H+]1CCN(c2cc[nH+]cc2C(N)=O)C[C@H]1C ZINC000302029885 389062529 /nfs/dbraw/zinc/06/25/29/389062529.db2.gz MQWVGVHKYGKPKP-MNOVXSKESA-N 2 2 278.356 0.072 10 0 CCAELP CC[C@@H](O)C[NH+]1CCN(CCn2cc[nH+]c2)CC1 ZINC000161938448 389412148 /nfs/dbraw/zinc/41/21/48/389412148.db2.gz DWFWXDUTEYXUFJ-CYBMUJFWSA-N 2 2 252.362 0.272 10 0 CCAELP O=C(NCCc1cn2ccccc2[nH+]1)N1CC[NH2+]CC1 ZINC000416946957 389783597 /nfs/dbraw/zinc/78/35/97/389783597.db2.gz OLCCSUCFPSHDSS-UHFFFAOYSA-N 2 2 273.340 0.492 10 0 CCAELP Cc1nc(N2CC[NH2+]C(C)(C)C2)nc(N(C)C)[nH+]1 ZINC000420265313 389975173 /nfs/dbraw/zinc/97/51/73/389975173.db2.gz BODOBTKMWOESIJ-UHFFFAOYSA-N 2 2 250.350 0.434 10 0 CCAELP CC[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[N@H+](CCO)C2)CCO1 ZINC000384427471 397495620 /nfs/dbraw/zinc/49/56/20/397495620.db2.gz DMUYLNGXYWGFLG-BFHYXJOUSA-N 2 2 256.390 0.990 10 0 CCAELP CC[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[N@@H+](CCO)C2)CCO1 ZINC000384427471 397495623 /nfs/dbraw/zinc/49/56/23/397495623.db2.gz DMUYLNGXYWGFLG-BFHYXJOUSA-N 2 2 256.390 0.990 10 0 CCAELP Cc1ccc(N2CCC[C@H]([NH2+][C@H]3CC[NH2+]C3)C2)nn1 ZINC000333249902 292133982 /nfs/dbraw/zinc/13/39/82/292133982.db2.gz GNELXOKFOGVHPX-STQMWFEESA-N 2 2 261.373 0.705 10 0 CCAELP C[C@H]([NH3+])c1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000020187812 171052460 /nfs/dbraw/zinc/05/24/60/171052460.db2.gz HRFGZUKBUNKHBG-NSHDSACASA-N 2 2 283.397 0.642 10 0 CCAELP C[C@H](c1ccco1)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038030915 174023565 /nfs/dbraw/zinc/02/35/65/174023565.db2.gz MEKFGAHPWCVPML-LLVKDONJSA-N 2 2 251.330 0.704 10 0 CCAELP C[C@H](c1ccco1)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038030915 174023567 /nfs/dbraw/zinc/02/35/67/174023567.db2.gz MEKFGAHPWCVPML-LLVKDONJSA-N 2 2 251.330 0.704 10 0 CCAELP Cc1n[nH]cc1CNC(=O)[C@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000038043368 174050206 /nfs/dbraw/zinc/05/02/06/174050206.db2.gz IWLKJLDKPZYPMO-CQSZACIVSA-N 2 2 291.399 0.551 10 0 CCAELP Cc1n[nH]cc1CNC(=O)[C@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000038043368 174050207 /nfs/dbraw/zinc/05/02/07/174050207.db2.gz IWLKJLDKPZYPMO-CQSZACIVSA-N 2 2 291.399 0.551 10 0 CCAELP CC(C)Oc1nc[nH+]c(NN2CC[NH+](C)CC2)c1N ZINC000040756974 174396159 /nfs/dbraw/zinc/39/61/59/174396159.db2.gz IGBLPBGRJHHXOJ-UHFFFAOYSA-N 2 2 266.349 0.420 10 0 CCAELP C[N@@H+]1CCO[C@@H](CNC(=O)c2cccc3c2C[NH2+]C3)C1 ZINC000662425915 414717206 /nfs/dbraw/zinc/71/72/06/414717206.db2.gz KVXLHZDPRXHHOE-LBPRGKRZSA-N 2 2 275.352 0.350 10 0 CCAELP C[N@H+]1CCO[C@@H](CNC(=O)c2cccc3c2C[NH2+]C3)C1 ZINC000662425915 414717207 /nfs/dbraw/zinc/71/72/07/414717207.db2.gz KVXLHZDPRXHHOE-LBPRGKRZSA-N 2 2 275.352 0.350 10 0 CCAELP CCC[C@@H](C)NC(=O)[C@H](C)[N@H+](CCC[NH3+])CCOC ZINC000071224879 176089123 /nfs/dbraw/zinc/08/91/23/176089123.db2.gz AKAIIDSLHWLSPK-OLZOCXBDSA-N 2 2 273.421 0.977 10 0 CCAELP CCC[C@@H](C)NC(=O)[C@H](C)[N@@H+](CCC[NH3+])CCOC ZINC000071224879 176089125 /nfs/dbraw/zinc/08/91/25/176089125.db2.gz AKAIIDSLHWLSPK-OLZOCXBDSA-N 2 2 273.421 0.977 10 0 CCAELP Cn1cc[nH+]c1CNC(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000071276152 176106622 /nfs/dbraw/zinc/10/66/22/176106622.db2.gz IJBMBHIHIPCBCK-NSHDSACASA-N 2 2 250.346 0.959 10 0 CCAELP C[NH2+]CC[N@H+](C)CCc1ccc2c(c1)NC(=O)CO2 ZINC000076362638 177002844 /nfs/dbraw/zinc/00/28/44/177002844.db2.gz XCZBWDHKHQCMQN-UHFFFAOYSA-N 2 2 263.341 0.711 10 0 CCAELP C[NH2+]CC[N@@H+](C)CCc1ccc2c(c1)NC(=O)CO2 ZINC000076362638 177002845 /nfs/dbraw/zinc/00/28/45/177002845.db2.gz XCZBWDHKHQCMQN-UHFFFAOYSA-N 2 2 263.341 0.711 10 0 CCAELP CN(Cc1[nH+]ccn1C)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089457677 544514929 /nfs/dbraw/zinc/51/49/29/544514929.db2.gz KRLFSCZUXHJKRC-WDEREUQCSA-N 2 2 250.346 0.754 10 0 CCAELP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000251116121 544925617 /nfs/dbraw/zinc/92/56/17/544925617.db2.gz PZUKFHATROOLNG-FRRDWIJNSA-N 2 2 269.389 0.198 10 0 CCAELP Cn1ncc2c1nc(N[C@@H]1CCC[C@@H]([NH3+])C1)[nH+]c2N ZINC000333544087 545040161 /nfs/dbraw/zinc/04/01/61/545040161.db2.gz OHDQINSCFOLRQI-HTQZYQBOSA-N 2 2 261.333 0.049 10 0 CCAELP c1ccc(C[NH+]2CCN(CC[NH2+][C@H]3CC[NH2+]C3)CC2)cc1 ZINC000390617340 262228983 /nfs/dbraw/zinc/22/89/83/262228983.db2.gz YLVOPHKFIZWKSL-KRWDZBQOSA-N 3 2 288.439 0.756 10 0 CCAELP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172764085 279277178 /nfs/dbraw/zinc/27/71/78/279277178.db2.gz WYRRLMSKBIPCAC-GJZGRUSLSA-N 2 2 295.427 0.794 10 0 CCAELP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172764085 279277179 /nfs/dbraw/zinc/27/71/79/279277179.db2.gz WYRRLMSKBIPCAC-GJZGRUSLSA-N 2 2 295.427 0.794 10 0 CCAELP CCc1cc(CC)nc(N2CC[N@H+](C)C[C@H]2C[NH3+])n1 ZINC000382290091 336085390 /nfs/dbraw/zinc/08/53/90/336085390.db2.gz MDKDQZHSTKCLRV-CYBMUJFWSA-N 2 2 263.389 0.681 10 0 CCAELP CCc1cc(CC)nc(N2CC[N@@H+](C)C[C@H]2C[NH3+])n1 ZINC000382290091 336085392 /nfs/dbraw/zinc/08/53/92/336085392.db2.gz MDKDQZHSTKCLRV-CYBMUJFWSA-N 2 2 263.389 0.681 10 0 CCAELP CC(C)[NH2+][C@@H](CC[NH+]1C[C@H](C)O[C@@H](C)C1)C(N)=O ZINC000062440863 519734041 /nfs/dbraw/zinc/73/40/41/519734041.db2.gz YQFOSQBGAZZFRI-SRVKXCTJSA-N 2 2 257.378 0.338 10 0 CCAELP CCC[NH+]1CCN(CC[C@@H]([NH2+]CC)C(=O)OC)CC1 ZINC000062439646 519858801 /nfs/dbraw/zinc/85/88/01/519858801.db2.gz MSNARXFISCDXFL-CYBMUJFWSA-N 2 2 271.405 0.555 10 0 CCAELP C[NH+](C)CCN1CC[NH+](C[C@@H]([NH3+])C(C)(C)C)CC1 ZINC000061643922 521764622 /nfs/dbraw/zinc/76/46/22/521764622.db2.gz IITFVGMDYNXXRJ-CYBMUJFWSA-N 3 2 256.438 0.539 10 0 CCAELP C[N@H+](CCN1CCC[NH2+]CC1)C1CC[NH+](C)CC1 ZINC000061274942 522831701 /nfs/dbraw/zinc/83/17/01/522831701.db2.gz NKCSZXBMJDNAPS-UHFFFAOYSA-N 3 2 254.422 0.308 10 0 CCAELP C[N@@H+](CCN1CCC[NH2+]CC1)C1CC[NH+](C)CC1 ZINC000061274942 522831706 /nfs/dbraw/zinc/83/17/06/522831706.db2.gz NKCSZXBMJDNAPS-UHFFFAOYSA-N 3 2 254.422 0.308 10 0 CCAELP C[N@@H+]1CCCC[C@@H]1CC[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC000052205732 523792800 /nfs/dbraw/zinc/79/28/00/523792800.db2.gz QOOZHYBRMXEFFZ-QWHCGFSZSA-N 2 2 274.430 0.885 10 0 CCAELP C[N@H+]1CCCC[C@@H]1CC[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC000052205732 523792802 /nfs/dbraw/zinc/79/28/02/523792802.db2.gz QOOZHYBRMXEFFZ-QWHCGFSZSA-N 2 2 274.430 0.885 10 0 CCAELP C[N@@H+]1CCCC[C@H]1CC[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC000052205734 523798989 /nfs/dbraw/zinc/79/89/89/523798989.db2.gz QOOZHYBRMXEFFZ-STQMWFEESA-N 2 2 274.430 0.885 10 0 CCAELP C[N@H+]1CCCC[C@H]1CC[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC000052205734 523798996 /nfs/dbraw/zinc/79/89/96/523798996.db2.gz QOOZHYBRMXEFFZ-STQMWFEESA-N 2 2 274.430 0.885 10 0 CCAELP NNc1cccc(C(=O)NCC[NH+]2CCCCC2)[nH+]1 ZINC000051113955 527282352 /nfs/dbraw/zinc/28/23/52/527282352.db2.gz IDQJIJLKDLCIIZ-UHFFFAOYSA-N 2 2 263.345 0.583 10 0 CCAELP Cc1nc(C)c(C[NH2+]C2CC[NH+](CCO)CC2)o1 ZINC000399282476 581208916 /nfs/dbraw/zinc/20/89/16/581208916.db2.gz YBAYBARNAIYPOI-UHFFFAOYSA-N 2 2 253.346 0.838 10 0 CCAELP C[C@H]1C[N@H+](C)C[C@@H](C(=O)NCC(C)(C)n2cc[nH+]c2)O1 ZINC000898910358 633690792 /nfs/dbraw/zinc/69/07/92/633690792.db2.gz OCLGFQNKDBVBCZ-RYUDHWBXSA-N 2 2 280.372 0.454 10 0 CCAELP C[C@H]1C[N@@H+](C)C[C@@H](C(=O)NCC(C)(C)n2cc[nH+]c2)O1 ZINC000898910358 633690802 /nfs/dbraw/zinc/69/08/02/633690802.db2.gz OCLGFQNKDBVBCZ-RYUDHWBXSA-N 2 2 280.372 0.454 10 0 CCAELP C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000094754694 649748133 /nfs/dbraw/zinc/74/81/33/649748133.db2.gz CHQBOELUYUWUGH-UPJWGTAASA-N 2 2 269.389 0.341 10 0 CCAELP C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000094754694 649748135 /nfs/dbraw/zinc/74/81/35/649748135.db2.gz CHQBOELUYUWUGH-UPJWGTAASA-N 2 2 269.389 0.341 10 0 CCAELP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)Cc1cn2ccccc2[nH+]1 ZINC000335504015 212184547 /nfs/dbraw/zinc/18/45/47/212184547.db2.gz FUSXBUQUYRCDLT-PWSUYJOCSA-N 2 2 258.325 0.825 10 0 CCAELP CCc1cc(N2CCC[C@@H]([NH2+][C@H]3CC[NH2+]C3)C2)ncn1 ZINC000333221976 136385690 /nfs/dbraw/zinc/38/56/90/136385690.db2.gz ADOBROJXPYOTLI-UONOGXRCSA-N 2 2 275.400 0.959 10 0 CCAELP C[C@@H]1CCCN1c1cc(N2CC[NH+](C)CC2)nc(N)[nH+]1 ZINC000114199294 349824242 /nfs/dbraw/zinc/82/42/42/349824242.db2.gz MRYMAFDRVOMINU-LLVKDONJSA-N 2 2 276.388 0.799 10 0 CCAELP CCC[C@@](C)([NH3+])C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000262693088 137050709 /nfs/dbraw/zinc/05/07/09/137050709.db2.gz BKTHXFGDZNWONF-GXTWGEPZSA-N 2 2 269.389 0.483 10 0 CCAELP CCC[C@@](C)([NH3+])C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000262693088 137050710 /nfs/dbraw/zinc/05/07/10/137050710.db2.gz BKTHXFGDZNWONF-GXTWGEPZSA-N 2 2 269.389 0.483 10 0 CCAELP Cc1nn2c(C[NH2+]C[C@@H]3C[NH2+]C[C@H]3O)c(C)nc2s1 ZINC000263133356 137058716 /nfs/dbraw/zinc/05/87/16/137058716.db2.gz BVJITDXBEPOBGS-MWLCHTKSSA-N 2 2 281.385 0.078 10 0 CCAELP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cc(F)c(F)cc1F ZINC000263167110 137059434 /nfs/dbraw/zinc/05/94/34/137059434.db2.gz FHAYAFCGHDKPQS-UFBFGSQYSA-N 2 2 260.259 0.774 10 0 CCAELP CC[C@H](C(=O)NC[C@@H](C)[NH+]1CCOCC1)[NH+](C)C ZINC000124751913 350106499 /nfs/dbraw/zinc/10/64/99/350106499.db2.gz JLMMGOBFQPNCJV-VXGBXAGGSA-N 2 2 257.378 0.164 10 0 CCAELP C[C@H](CNC(=O)N1CCC[C@H]([NH+](C)C)C1)[NH+]1CCOCC1 ZINC000105124307 186042835 /nfs/dbraw/zinc/04/28/35/186042835.db2.gz NEQXRXQNGCBVNW-KGLIPLIRSA-N 2 2 298.431 0.443 10 0 CCAELP CN(C)C(=O)C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863063 186080640 /nfs/dbraw/zinc/08/06/40/186080640.db2.gz UEIQXBAJCRHUTK-UHFFFAOYSA-N 2 2 293.415 0.368 10 0 CCAELP CN(C)C(=O)C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863063 186080642 /nfs/dbraw/zinc/08/06/42/186080642.db2.gz UEIQXBAJCRHUTK-UHFFFAOYSA-N 2 2 293.415 0.368 10 0 CCAELP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170829750 350865970 /nfs/dbraw/zinc/86/59/70/350865970.db2.gz QWZBXQJYTMTPAI-QWHCGFSZSA-N 2 2 284.404 0.053 10 0 CCAELP C[NH+](C)C[C@H]1CN(C(=O)c2ccc3[nH+]ccn3c2)CCO1 ZINC000172306613 350975749 /nfs/dbraw/zinc/97/57/49/350975749.db2.gz AJQGGSHCXKXTFD-ZDUSSCGKSA-N 2 2 288.351 0.737 10 0 CCAELP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1C ZINC000174750270 351101810 /nfs/dbraw/zinc/10/18/10/351101810.db2.gz ZMALIEAJUMBBPG-HZSPNIEDSA-N 2 2 298.431 0.441 10 0 CCAELP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H]2C[NH+](C)CCO2)CC[N@H+]1C ZINC000174750270 351101816 /nfs/dbraw/zinc/10/18/16/351101816.db2.gz ZMALIEAJUMBBPG-HZSPNIEDSA-N 2 2 298.431 0.441 10 0 CCAELP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H]2C[N@H+](C)CCO2)CC[NH+]1C ZINC000174750270 351101821 /nfs/dbraw/zinc/10/18/21/351101821.db2.gz ZMALIEAJUMBBPG-HZSPNIEDSA-N 2 2 298.431 0.441 10 0 CCAELP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1C ZINC000174750270 351101825 /nfs/dbraw/zinc/10/18/25/351101825.db2.gz ZMALIEAJUMBBPG-HZSPNIEDSA-N 2 2 298.431 0.441 10 0 CCAELP COC[C@H](C)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000177122681 351194830 /nfs/dbraw/zinc/19/48/30/351194830.db2.gz NSFPWICSEIQJRS-LBPRGKRZSA-N 2 2 271.405 0.411 10 0 CCAELP CCOCC[N@@H+]1CCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)C[C@H]1C ZINC000188762316 351625919 /nfs/dbraw/zinc/62/59/19/351625919.db2.gz RZLBOMXTNYADOJ-FRRDWIJNSA-N 2 2 287.379 0.256 10 0 CCAELP CCOCC[N@H+]1CCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)C[C@H]1C ZINC000188762316 351625921 /nfs/dbraw/zinc/62/59/21/351625921.db2.gz RZLBOMXTNYADOJ-FRRDWIJNSA-N 2 2 287.379 0.256 10 0 CCAELP C[C@@H](C(=O)NC(C)(C)C)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193651726 351838116 /nfs/dbraw/zinc/83/81/16/351838116.db2.gz SXSRPSFBMYVDPQ-SDDRHHMPSA-N 2 2 253.390 0.783 10 0 CCAELP C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193651726 351838121 /nfs/dbraw/zinc/83/81/21/351838121.db2.gz SXSRPSFBMYVDPQ-SDDRHHMPSA-N 2 2 253.390 0.783 10 0 CCAELP C[C@@H](C(=O)NC(C)(C)C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193651726 351838123 /nfs/dbraw/zinc/83/81/23/351838123.db2.gz SXSRPSFBMYVDPQ-SDDRHHMPSA-N 2 2 253.390 0.783 10 0 CCAELP C[C@@H](C(=O)NC(C)(C)C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193651726 351838128 /nfs/dbraw/zinc/83/81/28/351838128.db2.gz SXSRPSFBMYVDPQ-SDDRHHMPSA-N 2 2 253.390 0.783 10 0 CCAELP C[C@@H](C(=O)NC1CCCC1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193656402 351839851 /nfs/dbraw/zinc/83/98/51/351839851.db2.gz SHKIRFBORFLBEM-RWMBFGLXSA-N 2 2 265.401 0.927 10 0 CCAELP C[C@@H](C(=O)NC1CCCC1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193656402 351839855 /nfs/dbraw/zinc/83/98/55/351839855.db2.gz SHKIRFBORFLBEM-RWMBFGLXSA-N 2 2 265.401 0.927 10 0 CCAELP C[C@@H](C(=O)NC1CCCC1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193656402 351839859 /nfs/dbraw/zinc/83/98/59/351839859.db2.gz SHKIRFBORFLBEM-RWMBFGLXSA-N 2 2 265.401 0.927 10 0 CCAELP C[C@@H](C(=O)NC1CCCC1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193656402 351839862 /nfs/dbraw/zinc/83/98/62/351839862.db2.gz SHKIRFBORFLBEM-RWMBFGLXSA-N 2 2 265.401 0.927 10 0 CCAELP C[C@@H]1C[N@H+](CCn2cc[nH+]c2)C[C@H]1N1CCOCC1 ZINC000245632428 352331933 /nfs/dbraw/zinc/33/19/33/352331933.db2.gz QKKLUARIUKACSK-ZIAGYGMSSA-N 2 2 264.373 0.536 10 0 CCAELP C[C@@H]1C[N@@H+](CCn2cc[nH+]c2)C[C@H]1N1CCOCC1 ZINC000245632428 352331934 /nfs/dbraw/zinc/33/19/34/352331934.db2.gz QKKLUARIUKACSK-ZIAGYGMSSA-N 2 2 264.373 0.536 10 0 CCAELP C[C@@H]1C[N@H+](CC[C@H]2CCC[NH+]2C)C[C@H](C(N)=O)O1 ZINC000248132070 352432302 /nfs/dbraw/zinc/43/23/02/352432302.db2.gz WQTZYIOGUCXMFN-IJLUTSLNSA-N 2 2 255.362 0.045 10 0 CCAELP C[C@@H]1C[N@@H+](CC[C@H]2CCC[NH+]2C)C[C@H](C(N)=O)O1 ZINC000248132070 352432305 /nfs/dbraw/zinc/43/23/05/352432305.db2.gz WQTZYIOGUCXMFN-IJLUTSLNSA-N 2 2 255.362 0.045 10 0 CCAELP C[C@@H]1C[NH+](CC[C@H]2CCC[N@@H+]2C)C[C@H](C(N)=O)O1 ZINC000248132070 352432307 /nfs/dbraw/zinc/43/23/07/352432307.db2.gz WQTZYIOGUCXMFN-IJLUTSLNSA-N 2 2 255.362 0.045 10 0 CCAELP C[C@@H]1C[NH+](CC[C@H]2CCC[N@H+]2C)C[C@H](C(N)=O)O1 ZINC000248132070 352432309 /nfs/dbraw/zinc/43/23/09/352432309.db2.gz WQTZYIOGUCXMFN-IJLUTSLNSA-N 2 2 255.362 0.045 10 0 CCAELP CN(CC[NH+]1CCOCC1)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333843921 354803898 /nfs/dbraw/zinc/80/38/98/354803898.db2.gz OUUQBZPXWDDQLE-CYBMUJFWSA-N 2 2 284.404 0.102 10 0 CCAELP CC(C)c1cnc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)s1 ZINC000263193515 535377075 /nfs/dbraw/zinc/37/70/75/535377075.db2.gz IDRZEKREXABZKD-NXEZZACHSA-N 2 2 255.387 0.936 10 0 CCAELP O[C@@]1(C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)CCOC1 ZINC000329196569 202228348 /nfs/dbraw/zinc/22/83/48/202228348.db2.gz VWKDXKBPGITAQS-MRXNPFEDSA-N 2 2 291.395 0.787 10 0 CCAELP C[N@@H+]1CC[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)[C@H]2C1 ZINC000329525025 202372043 /nfs/dbraw/zinc/37/20/43/202372043.db2.gz SKSSWWIWBYBFGA-YPMHNXCESA-N 2 2 262.357 0.895 10 0 CCAELP C[N@H+]1CC[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)[C@H]2C1 ZINC000329525025 202372046 /nfs/dbraw/zinc/37/20/46/202372046.db2.gz SKSSWWIWBYBFGA-YPMHNXCESA-N 2 2 262.357 0.895 10 0 CCAELP C[N@@H+]1CC[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)[C@H]2C1 ZINC000329525025 202372050 /nfs/dbraw/zinc/37/20/50/202372050.db2.gz SKSSWWIWBYBFGA-YPMHNXCESA-N 2 2 262.357 0.895 10 0 CCAELP C[N@H+]1CC[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)[C@H]2C1 ZINC000329525025 202372054 /nfs/dbraw/zinc/37/20/54/202372054.db2.gz SKSSWWIWBYBFGA-YPMHNXCESA-N 2 2 262.357 0.895 10 0 CCAELP Cc1nn(C)c(C)c1NC(=O)C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631839859 370706250 /nfs/dbraw/zinc/70/62/50/370706250.db2.gz LTSXIXRTRMKZKQ-SKDRFNHKSA-N 2 2 279.388 0.502 10 0 CCAELP Cc1nn(C)c(C)c1NC(=O)C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631839859 370706251 /nfs/dbraw/zinc/70/62/51/370706251.db2.gz LTSXIXRTRMKZKQ-SKDRFNHKSA-N 2 2 279.388 0.502 10 0 CCAELP C[C@H]1C[N@H+](CC(=O)NCC(F)(F)F)C[C@@H]1C[NH3+] ZINC000631844218 370709552 /nfs/dbraw/zinc/70/95/52/370709552.db2.gz VXWPQXQFJDQIQE-YUMQZZPRSA-N 2 2 253.268 0.192 10 0 CCAELP C[C@H]1C[N@@H+](CC(=O)NCC(F)(F)F)C[C@@H]1C[NH3+] ZINC000631844218 370709556 /nfs/dbraw/zinc/70/95/56/370709556.db2.gz VXWPQXQFJDQIQE-YUMQZZPRSA-N 2 2 253.268 0.192 10 0 CCAELP CC(C)(C)OC(=O)NCC[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000616654953 365411020 /nfs/dbraw/zinc/41/10/20/365411020.db2.gz NIHMSMBDJMYGDV-NSHDSACASA-N 2 2 273.377 0.561 10 0 CCAELP CC(C)(C)OC(=O)NCC[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000616654953 365411024 /nfs/dbraw/zinc/41/10/24/365411024.db2.gz NIHMSMBDJMYGDV-NSHDSACASA-N 2 2 273.377 0.561 10 0 CCAELP CC(C)n1cc[nH+]c1CN(C)CC[N@H+](C)CCO ZINC000623090634 367447579 /nfs/dbraw/zinc/44/75/79/367447579.db2.gz XBNDTJMCYWVOOF-UHFFFAOYSA-N 2 2 254.378 0.820 10 0 CCAELP CC(C)n1cc[nH+]c1CN(C)CC[N@@H+](C)CCO ZINC000623090634 367447582 /nfs/dbraw/zinc/44/75/82/367447582.db2.gz XBNDTJMCYWVOOF-UHFFFAOYSA-N 2 2 254.378 0.820 10 0 CCAELP CO[C@H]1C[N@H+](CCOC2CCOCC2)[C@](C)(C[NH3+])C1 ZINC000630366375 370067780 /nfs/dbraw/zinc/06/77/80/370067780.db2.gz KGCQKEFRZKNWJS-KGLIPLIRSA-N 2 2 272.389 0.620 10 0 CCAELP CO[C@H]1C[N@@H+](CCOC2CCOCC2)[C@](C)(C[NH3+])C1 ZINC000630366375 370067783 /nfs/dbraw/zinc/06/77/83/370067783.db2.gz KGCQKEFRZKNWJS-KGLIPLIRSA-N 2 2 272.389 0.620 10 0 CCAELP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000333299872 205198171 /nfs/dbraw/zinc/19/81/71/205198171.db2.gz PWLXSZNCWJLWFL-FPMFFAJLSA-N 2 2 281.400 0.435 10 0 CCAELP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000333299872 205198176 /nfs/dbraw/zinc/19/81/76/205198176.db2.gz PWLXSZNCWJLWFL-FPMFFAJLSA-N 2 2 281.400 0.435 10 0 CCAELP C[C@H]1C[NH2+]CCN1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000333359888 205252795 /nfs/dbraw/zinc/25/27/95/205252795.db2.gz KXANJQPJVDRQMG-QWHCGFSZSA-N 2 2 289.383 0.664 10 0 CCAELP O=C([C@@H]1CC[NH2+]C1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000062115129 284536187 /nfs/dbraw/zinc/53/61/87/284536187.db2.gz IFVVTAZNWRMZML-CQSZACIVSA-N 2 2 274.368 0.335 10 0 CCAELP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3nnnn3Cc3ccccc3)C[C@@H]12 ZINC000393942828 285213031 /nfs/dbraw/zinc/21/30/31/285213031.db2.gz MCKZNTOEVDSSSG-RBSFLKMASA-N 2 2 298.394 0.891 10 0 CCAELP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3nnnn3Cc3ccccc3)C[C@@H]12 ZINC000393942828 285213032 /nfs/dbraw/zinc/21/30/32/285213032.db2.gz MCKZNTOEVDSSSG-RBSFLKMASA-N 2 2 298.394 0.891 10 0 CCAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)CC1 ZINC000193629123 285298734 /nfs/dbraw/zinc/29/87/34/285298734.db2.gz ZRMRHQYWJWHKNH-KFWWJZLASA-N 3 2 294.443 0.032 10 0 CCAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)CC1 ZINC000193629123 285298739 /nfs/dbraw/zinc/29/87/39/285298739.db2.gz ZRMRHQYWJWHKNH-KFWWJZLASA-N 3 2 294.443 0.032 10 0 CCAELP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)CC1 ZINC000193629123 285298744 /nfs/dbraw/zinc/29/87/44/285298744.db2.gz ZRMRHQYWJWHKNH-KFWWJZLASA-N 3 2 294.443 0.032 10 0 CCAELP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)CC1 ZINC000193629123 285298747 /nfs/dbraw/zinc/29/87/47/285298747.db2.gz ZRMRHQYWJWHKNH-KFWWJZLASA-N 3 2 294.443 0.032 10 0 CCAELP O=C(N1CC[NH2+]CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000019399317 388793060 /nfs/dbraw/zinc/79/30/60/388793060.db2.gz DOTXKGVVXAFLKN-UHFFFAOYSA-N 2 2 275.356 0.229 10 0 CCAELP CC[NH+]1CCN(S(=O)(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000011849283 388775048 /nfs/dbraw/zinc/77/50/48/388775048.db2.gz SCYUGDBTCGHJRP-UHFFFAOYSA-N 2 2 283.397 0.472 10 0 CCAELP C[C@H]1CN(C(=O)[C@@H]2CCCn3cc[nH+]c32)CC[N@@H+]1CCO ZINC000188694990 388937423 /nfs/dbraw/zinc/93/74/23/388937423.db2.gz PWLLKFWYWDRHLB-QWHCGFSZSA-N 2 2 292.383 0.286 10 0 CCAELP C[C@H]1CN(C(=O)[C@@H]2CCCn3cc[nH+]c32)CC[N@H+]1CCO ZINC000188694990 388937427 /nfs/dbraw/zinc/93/74/27/388937427.db2.gz PWLLKFWYWDRHLB-QWHCGFSZSA-N 2 2 292.383 0.286 10 0 CCAELP Cc1nc(N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc[nH+]1 ZINC000333897881 389448697 /nfs/dbraw/zinc/44/86/97/389448697.db2.gz IFTBAXCFLFPXFQ-GFCCVEGCSA-N 2 2 275.356 0.186 10 0 CCAELP C[C@@H](O)C[N@@H+]1CCN(Cc2c[nH+]cn2C)C[C@H]1C ZINC000177053934 389570193 /nfs/dbraw/zinc/57/01/93/389570193.db2.gz YIRDBWBCHZQIFJ-VXGBXAGGSA-N 2 2 252.362 0.307 10 0 CCAELP C[C@@H](O)C[N@H+]1CCN(Cc2c[nH+]cn2C)C[C@H]1C ZINC000177053934 389570194 /nfs/dbraw/zinc/57/01/94/389570194.db2.gz YIRDBWBCHZQIFJ-VXGBXAGGSA-N 2 2 252.362 0.307 10 0 CCAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1nc(N)nc(N)n1 ZINC000178754078 389621214 /nfs/dbraw/zinc/62/12/14/389621214.db2.gz WAHSGOWSTVXKMG-JTQLQIEISA-N 2 2 288.359 0.206 10 0 CCAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1nc(N)nc(N)n1 ZINC000178754078 389621217 /nfs/dbraw/zinc/62/12/17/389621217.db2.gz WAHSGOWSTVXKMG-JTQLQIEISA-N 2 2 288.359 0.206 10 0 CCAELP CC(C)[C@@H](C(=O)N1CCn2cc[nH+]c2C1)[C@H](C)[NH3+] ZINC000335603446 389576892 /nfs/dbraw/zinc/57/68/92/389576892.db2.gz JCUNGOFKCBCZGK-CMPLNLGQSA-N 2 2 250.346 0.845 10 0 CCAELP CC(C)(C)n1cc(C[NH+]2CCN(CC[NH3+])CC2)cn1 ZINC000647996876 390245166 /nfs/dbraw/zinc/24/51/66/390245166.db2.gz SQPKZVKCAKQNGF-UHFFFAOYSA-N 2 2 265.405 0.714 10 0 CCAELP Cc1nnsc1C[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000384223556 397495534 /nfs/dbraw/zinc/49/55/34/397495534.db2.gz FNLZKXWAXNFPNK-LLVKDONJSA-N 2 2 270.402 0.783 10 0 CCAELP C[NH+]1CCN(C(=O)c2ccc([C@H]3CCC[NH2+]C3)nc2)CC1 ZINC000616575370 397598634 /nfs/dbraw/zinc/59/86/34/397598634.db2.gz JUVDKYYVCLHCJM-ZDUSSCGKSA-N 2 2 288.395 0.936 10 0 CCAELP CCOCC[N@@H+]1CCN(C(=O)[C@]2(F)CC[NH2+]C2)C[C@H]1C ZINC000168052705 286088180 /nfs/dbraw/zinc/08/81/80/286088180.db2.gz FVIVUPSWADPURS-OCCSQVGLSA-N 2 2 287.379 0.257 10 0 CCAELP CCOCC[N@H+]1CCN(C(=O)[C@]2(F)CC[NH2+]C2)C[C@H]1C ZINC000168052705 286088181 /nfs/dbraw/zinc/08/81/81/286088181.db2.gz FVIVUPSWADPURS-OCCSQVGLSA-N 2 2 287.379 0.257 10 0 CCAELP CC(C)[NH2+]CCC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062976865 411687331 /nfs/dbraw/zinc/68/73/31/411687331.db2.gz DQUKUFSBNGVYBB-ZDUSSCGKSA-N 2 2 269.389 0.308 10 0 CCAELP [NH3+]CC1(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)CCCC1 ZINC000062976528 411687775 /nfs/dbraw/zinc/68/77/75/411687775.db2.gz GJKQEWISALEMPA-CYBMUJFWSA-N 2 2 281.400 0.439 10 0 CCAELP CN([C@H]1CCSC1)[C@]1(C[NH3+])C[NH+]2CCC1CC2 ZINC000037174572 173009489 /nfs/dbraw/zinc/00/94/89/173009489.db2.gz IIPRKZJFDTXPAJ-QWHCGFSZSA-N 2 2 255.431 0.847 10 0 CCAELP NC(=O)C[N@H+](C[C@@H]1CCCCO1)C1CC[NH2+]CC1 ZINC000037543116 173263856 /nfs/dbraw/zinc/26/38/56/173263856.db2.gz CDETVVOICHKLRL-LBPRGKRZSA-N 2 2 255.362 0.095 10 0 CCAELP NC(=O)C[N@@H+](C[C@@H]1CCCCO1)C1CC[NH2+]CC1 ZINC000037543116 173263857 /nfs/dbraw/zinc/26/38/57/173263857.db2.gz CDETVVOICHKLRL-LBPRGKRZSA-N 2 2 255.362 0.095 10 0 CCAELP CC(C)[NH+]1CCC([N@H+](C)CC(=O)N2CC[NH2+]CC2)CC1 ZINC000038031007 174023640 /nfs/dbraw/zinc/02/36/40/174023640.db2.gz ZDSGOFOUGWYNSZ-UHFFFAOYSA-N 3 2 282.432 0.223 10 0 CCAELP CC(C)[NH+]1CCC([N@@H+](C)CC(=O)N2CC[NH2+]CC2)CC1 ZINC000038031007 174023642 /nfs/dbraw/zinc/02/36/42/174023642.db2.gz ZDSGOFOUGWYNSZ-UHFFFAOYSA-N 3 2 282.432 0.223 10 0 CCAELP CCC[NH+]1CCN(S(=O)(=O)C[C@@H]2CCC[NH2+]C2)CC1 ZINC000044390133 175170615 /nfs/dbraw/zinc/17/06/15/175170615.db2.gz PEZVIUNHXGPBTM-CYBMUJFWSA-N 2 2 289.445 0.343 10 0 CCAELP CC[NH2+][C@@](C)(CC[N@H+](C)C[C@@H]1CC[NH+](C)C1)C(N)=O ZINC000071191024 176067316 /nfs/dbraw/zinc/06/73/16/176067316.db2.gz KXWWIVYHAQOSHQ-OCCSQVGLSA-N 3 2 270.421 0.114 10 0 CCAELP CC[NH2+][C@@](C)(CC[N@@H+](C)C[C@@H]1CC[NH+](C)C1)C(N)=O ZINC000071191024 176067317 /nfs/dbraw/zinc/06/73/17/176067317.db2.gz KXWWIVYHAQOSHQ-OCCSQVGLSA-N 3 2 270.421 0.114 10 0 CCAELP CC[NH2+][C@@](C)(CC[NH+](C)C[C@@H]1CC[N@H+](C)C1)C(N)=O ZINC000071191024 176067319 /nfs/dbraw/zinc/06/73/19/176067319.db2.gz KXWWIVYHAQOSHQ-OCCSQVGLSA-N 3 2 270.421 0.114 10 0 CCAELP CC[NH2+][C@@](C)(CC[NH+](C)C[C@@H]1CC[N@@H+](C)C1)C(N)=O ZINC000071191024 176067320 /nfs/dbraw/zinc/06/73/20/176067320.db2.gz KXWWIVYHAQOSHQ-OCCSQVGLSA-N 3 2 270.421 0.114 10 0 CCAELP CCOC(=O)C1CC[NH+]([C@H]2COC[C@@H]2C[NH+](C)C)CC1 ZINC000725273736 545889066 /nfs/dbraw/zinc/88/90/66/545889066.db2.gz YPQOGCRYYJJSEX-KBPBESRZSA-N 2 2 284.400 0.838 10 0 CCAELP O=C(CC[NH2+]C1CC1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000062976824 544447914 /nfs/dbraw/zinc/44/79/14/544447914.db2.gz ZUFOSAIEXQWBLY-CYBMUJFWSA-N 2 2 267.373 0.062 10 0 CCAELP Cc1cc(NC(=O)C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)no1 ZINC000631843270 419489865 /nfs/dbraw/zinc/48/98/65/419489865.db2.gz LNZROYPNHWZZLH-WCBMZHEXSA-N 2 2 252.318 0.448 10 0 CCAELP Cc1cc(NC(=O)C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)no1 ZINC000631843270 419489883 /nfs/dbraw/zinc/48/98/83/419489883.db2.gz LNZROYPNHWZZLH-WCBMZHEXSA-N 2 2 252.318 0.448 10 0 CCAELP C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccc(C[NH3+])o2)C[C@H]1C ZINC000246240358 544909112 /nfs/dbraw/zinc/90/91/12/544909112.db2.gz ISRMJIAXYWEKDA-MNOVXSKESA-N 2 2 281.356 0.265 10 0 CCAELP C[C@H](O)C[N@H+]1CCN(C(=O)c2ccc(C[NH3+])o2)C[C@H]1C ZINC000246240358 544909116 /nfs/dbraw/zinc/90/91/16/544909116.db2.gz ISRMJIAXYWEKDA-MNOVXSKESA-N 2 2 281.356 0.265 10 0 CCAELP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1csc(-c2ccccn2)n1 ZINC000262081246 544938837 /nfs/dbraw/zinc/93/88/37/544938837.db2.gz FAZHEFYVKFNJPD-ZWNOBZJWSA-N 2 2 290.392 0.875 10 0 CCAELP C[C@@H](CNC(=O)N[C@H]1CC[N@@H+](C2CC2)C1)[NH+]1CCOCC1 ZINC000332829517 545034438 /nfs/dbraw/zinc/03/44/38/545034438.db2.gz AYRHQXNUKYLSQB-STQMWFEESA-N 2 2 296.415 0.243 10 0 CCAELP C[C@@H](CNC(=O)N[C@H]1CC[N@H+](C2CC2)C1)[NH+]1CCOCC1 ZINC000332829517 545034441 /nfs/dbraw/zinc/03/44/41/545034441.db2.gz AYRHQXNUKYLSQB-STQMWFEESA-N 2 2 296.415 0.243 10 0 CCAELP CN1CC[C@@H]([NH+]2CCC([NH+]3CCCC3)CC2)C1=O ZINC000116277493 277135149 /nfs/dbraw/zinc/13/51/49/277135149.db2.gz PLDPJAWMWSXRHV-CYBMUJFWSA-N 2 2 251.374 0.777 10 0 CCAELP O=C(CC[C@H]1CCC[NH2+]1)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000394380318 545088029 /nfs/dbraw/zinc/08/80/29/545088029.db2.gz NTJJBXHOYHNNIC-ZIAGYGMSSA-N 2 2 280.416 0.025 10 0 CCAELP O=C(CC[C@H]1CCC[NH2+]1)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000394380318 545088030 /nfs/dbraw/zinc/08/80/30/545088030.db2.gz NTJJBXHOYHNNIC-ZIAGYGMSSA-N 2 2 280.416 0.025 10 0 CCAELP CCC[NH2+]C[C@H]1CC[C@H](C[NH+]2CCS(=O)CC2)O1 ZINC000052516450 519939178 /nfs/dbraw/zinc/93/91/78/519939178.db2.gz VKNXKLCSWYMSPO-CHWSQXEVSA-N 2 2 274.430 0.598 10 0 CCAELP CCCN1C(=O)C[C@H]([NH2+][C@@H](C)CC[NH+](C)C)C1=O ZINC000049554922 521700037 /nfs/dbraw/zinc/70/00/37/521700037.db2.gz QGHKCSUDRZKSCG-QWRGUYRKSA-N 2 2 255.362 0.454 10 0 CCAELP c1cn(CCC[NH2+]CCCN2CCOCC2)c[nH+]1 ZINC000049327928 526531574 /nfs/dbraw/zinc/53/15/74/526531574.db2.gz IETDHHGZNUJOKH-UHFFFAOYSA-N 2 2 252.362 0.585 10 0 CCAELP CC(C)S(=O)(=O)CC[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000261542575 535094868 /nfs/dbraw/zinc/09/48/68/535094868.db2.gz PNFZSHWUPWYBHV-RYUDHWBXSA-N 2 2 262.419 0.869 10 0 CCAELP CC(C)S(=O)(=O)CC[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000261542575 535094873 /nfs/dbraw/zinc/09/48/73/535094873.db2.gz PNFZSHWUPWYBHV-RYUDHWBXSA-N 2 2 262.419 0.869 10 0 CCAELP COCC[N@@H+]1CCN(c2nc(N)cc(C)[nH+]2)C[C@@H]1C ZINC000892354020 616376871 /nfs/dbraw/zinc/37/68/71/616376871.db2.gz HYBIMICZRQPLDK-NSHDSACASA-N 2 2 265.361 0.524 10 0 CCAELP COCC[N@H+]1CCN(c2nc(N)cc(C)[nH+]2)C[C@@H]1C ZINC000892354020 616376875 /nfs/dbraw/zinc/37/68/75/616376875.db2.gz HYBIMICZRQPLDK-NSHDSACASA-N 2 2 265.361 0.524 10 0 CCAELP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCC(c3cccc(O)c3)CC2)C1 ZINC000067842862 637131029 /nfs/dbraw/zinc/13/10/29/637131029.db2.gz XQAKQFUYHMNQCF-HIFRSBDPSA-N 2 2 289.379 0.787 10 0 CCAELP CCN(CC)C(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1[nH]c[nH+]c1C ZINC000067966355 638233490 /nfs/dbraw/zinc/23/34/90/638233490.db2.gz ACABRIHZHKQYGC-YPMHNXCESA-N 2 2 279.388 0.488 10 0 CCAELP C[N@@H+]1CCO[C@@H](CNC(=O)CC[C@H]([NH3+])c2ccccc2)C1 ZINC000091669305 349472967 /nfs/dbraw/zinc/47/29/67/349472967.db2.gz SCNQCPPHKBVGOD-GJZGRUSLSA-N 2 2 291.395 0.913 10 0 CCAELP C[N@H+]1CCO[C@@H](CNC(=O)CC[C@H]([NH3+])c2ccccc2)C1 ZINC000091669305 349472969 /nfs/dbraw/zinc/47/29/69/349472969.db2.gz SCNQCPPHKBVGOD-GJZGRUSLSA-N 2 2 291.395 0.913 10 0 CCAELP C[C@H]1CN(C(=O)C2([NH3+])CCCC2)C[C@@H]1[NH+]1CCOCC1 ZINC000178860895 290680141 /nfs/dbraw/zinc/68/01/41/290680141.db2.gz OWMVTSAXTISROT-STQMWFEESA-N 2 2 281.400 0.437 10 0 CCAELP Cc1ccc(N2CCC[C@@H]([NH2+][C@@H]3CC[NH2+]C3)C2)nn1 ZINC000333249897 136385339 /nfs/dbraw/zinc/38/53/39/136385339.db2.gz GNELXOKFOGVHPX-CHWSQXEVSA-N 2 2 261.373 0.705 10 0 CCAELP C[C@@H]1CC[C@H](C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)O1 ZINC000119297447 349928623 /nfs/dbraw/zinc/92/86/23/349928623.db2.gz HFBRHJOGPCWEIO-TZMCWYRMSA-N 2 2 283.416 0.696 10 0 CCAELP C[C@H](C(=O)NCc1ccc(N(C)C)[nH+]c1)C1C[NH2+]C1 ZINC000262387557 137041690 /nfs/dbraw/zinc/04/16/90/137041690.db2.gz NWECTRJAYGZUCI-JTQLQIEISA-N 2 2 262.357 0.619 10 0 CCAELP COC(=O)c1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)oc1C ZINC000261827858 137021556 /nfs/dbraw/zinc/02/15/56/137021556.db2.gz ACJNJMIYLFLPFY-BXKDBHETSA-N 2 2 268.313 0.045 10 0 CCAELP Cn1c(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)nc2ccc(Cl)cc21 ZINC000263308162 137063864 /nfs/dbraw/zinc/06/38/64/137063864.db2.gz YEVLCIHUGAZSOD-NOZJJQNGSA-N 2 2 294.786 0.897 10 0 CCAELP C[C@H]1CN(c2ccc(CNC(=O)C3C[NH2+]C3)c[nH+]2)CCO1 ZINC000263342612 137064470 /nfs/dbraw/zinc/06/44/70/137064470.db2.gz YBERELQCEJXRFD-NSHDSACASA-N 2 2 290.367 0.142 10 0 CCAELP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC000263196448 137059926 /nfs/dbraw/zinc/05/99/26/137059926.db2.gz ILUWGVNSXSCFAZ-WCQYABFASA-N 2 2 282.771 0.945 10 0 CCAELP COC[C@H](O)C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000126666905 350151381 /nfs/dbraw/zinc/15/13/81/350151381.db2.gz JKKJEKNBULZNGE-OAHLLOKOSA-N 2 2 296.415 0.287 10 0 CCAELP COC[C@H](O)C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000126666905 350151385 /nfs/dbraw/zinc/15/13/85/350151385.db2.gz JKKJEKNBULZNGE-OAHLLOKOSA-N 2 2 296.415 0.287 10 0 CCAELP [NH3+]C1CC[NH+]([C@@H]2CCN(C(=O)C(F)(F)F)C2)CC1 ZINC000131895682 350291116 /nfs/dbraw/zinc/29/11/16/350291116.db2.gz OHRDPTXMLMOHHA-SECBINFHSA-N 2 2 265.279 0.573 10 0 CCAELP C[C@@H](CNC(=O)[C@@H]1COCC[NH2+]1)[NH+]1CCC(C)CC1 ZINC000166332314 350797641 /nfs/dbraw/zinc/79/76/41/350797641.db2.gz WNTPOXINZRODHW-STQMWFEESA-N 2 2 269.389 0.211 10 0 CCAELP Cn1ncc2c1nc[nH+]c2NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000171636861 350923046 /nfs/dbraw/zinc/92/30/46/350923046.db2.gz LNJLJMCQIUVSTG-NSHDSACASA-N 2 2 288.355 0.638 10 0 CCAELP Cn1ncc2c1nc[nH+]c2NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000171636861 350923049 /nfs/dbraw/zinc/92/30/49/350923049.db2.gz LNJLJMCQIUVSTG-NSHDSACASA-N 2 2 288.355 0.638 10 0 CCAELP CC(C)C[NH+]1CCN(C(=O)NC[C@H]2C[N@H+](C)CCO2)CC1 ZINC000171705169 350930224 /nfs/dbraw/zinc/93/02/24/350930224.db2.gz VAQPPSVOHDXDQB-AWEZNQCLSA-N 2 2 298.431 0.300 10 0 CCAELP CC(C)C[NH+]1CCN(C(=O)NC[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000171705169 350930225 /nfs/dbraw/zinc/93/02/25/350930225.db2.gz VAQPPSVOHDXDQB-AWEZNQCLSA-N 2 2 298.431 0.300 10 0 CCAELP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)C[NH+](C)C)C2 ZINC000171856962 350938462 /nfs/dbraw/zinc/93/84/62/350938462.db2.gz QIXGZPRDDVBAQZ-UHFFFAOYSA-N 2 2 264.373 0.990 10 0 CCAELP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000177486440 351205679 /nfs/dbraw/zinc/20/56/79/351205679.db2.gz NASKXFWROHBFCH-ZIAGYGMSSA-N 2 2 298.431 0.443 10 0 CCAELP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000177486440 351205680 /nfs/dbraw/zinc/20/56/80/351205680.db2.gz NASKXFWROHBFCH-ZIAGYGMSSA-N 2 2 298.431 0.443 10 0 CCAELP CC[NH+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000177486440 351205683 /nfs/dbraw/zinc/20/56/83/351205683.db2.gz NASKXFWROHBFCH-ZIAGYGMSSA-N 2 2 298.431 0.443 10 0 CCAELP CC[NH+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000177486440 351205685 /nfs/dbraw/zinc/20/56/85/351205685.db2.gz NASKXFWROHBFCH-ZIAGYGMSSA-N 2 2 298.431 0.443 10 0 CCAELP CCCCCNC(=O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193611339 351835941 /nfs/dbraw/zinc/83/59/41/351835941.db2.gz ONJGGAGALDWJOO-BETUJISGSA-N 2 2 253.390 0.786 10 0 CCAELP CCCCCNC(=O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193611339 351835942 /nfs/dbraw/zinc/83/59/42/351835942.db2.gz ONJGGAGALDWJOO-BETUJISGSA-N 2 2 253.390 0.786 10 0 CCAELP CCCCCNC(=O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193611339 351835943 /nfs/dbraw/zinc/83/59/43/351835943.db2.gz ONJGGAGALDWJOO-BETUJISGSA-N 2 2 253.390 0.786 10 0 CCAELP CCCCCNC(=O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193611339 351835944 /nfs/dbraw/zinc/83/59/44/351835944.db2.gz ONJGGAGALDWJOO-BETUJISGSA-N 2 2 253.390 0.786 10 0 CCAELP Cn1cc(N2CC[C@H]([N@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)C2=O)cn1 ZINC000193632340 351836982 /nfs/dbraw/zinc/83/69/82/351836982.db2.gz BMUZBZSNIUSAOS-SCRDCRAPSA-N 2 2 289.383 0.019 10 0 CCAELP Cn1cc(N2CC[C@H]([N@@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)C2=O)cn1 ZINC000193632340 351836987 /nfs/dbraw/zinc/83/69/87/351836987.db2.gz BMUZBZSNIUSAOS-SCRDCRAPSA-N 2 2 289.383 0.019 10 0 CCAELP Cn1cc(N2CC[C@H]([NH+]3C[C@H]4C[N@@H+](C)C[C@H]4C3)C2=O)cn1 ZINC000193632340 351836992 /nfs/dbraw/zinc/83/69/92/351836992.db2.gz BMUZBZSNIUSAOS-SCRDCRAPSA-N 2 2 289.383 0.019 10 0 CCAELP Cn1cc(N2CC[C@H]([NH+]3C[C@H]4C[N@H+](C)C[C@H]4C3)C2=O)cn1 ZINC000193632340 351836995 /nfs/dbraw/zinc/83/69/95/351836995.db2.gz BMUZBZSNIUSAOS-SCRDCRAPSA-N 2 2 289.383 0.019 10 0 CCAELP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000237546049 352270846 /nfs/dbraw/zinc/27/08/46/352270846.db2.gz KJBDUVVUYHNZOE-MCIONIFRSA-N 2 2 297.443 0.848 10 0 CCAELP CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@H]2C[NH+](C)CCO2)C1 ZINC000246562842 352373523 /nfs/dbraw/zinc/37/35/23/352373523.db2.gz ZMPWOGFEQNMRAA-KGLIPLIRSA-N 2 2 298.431 0.348 10 0 CCAELP CCC[N@H+]1CC[C@H](CNC(=O)NC[C@H]2C[NH+](C)CCO2)C1 ZINC000246562842 352373525 /nfs/dbraw/zinc/37/35/25/352373525.db2.gz ZMPWOGFEQNMRAA-KGLIPLIRSA-N 2 2 298.431 0.348 10 0 CCAELP CCC[NH+]1CC[C@H](CNC(=O)NC[C@H]2C[N@H+](C)CCO2)C1 ZINC000246562842 352373527 /nfs/dbraw/zinc/37/35/27/352373527.db2.gz ZMPWOGFEQNMRAA-KGLIPLIRSA-N 2 2 298.431 0.348 10 0 CCAELP CCC[NH+]1CC[C@H](CNC(=O)NC[C@H]2C[N@@H+](C)CCO2)C1 ZINC000246562842 352373528 /nfs/dbraw/zinc/37/35/28/352373528.db2.gz ZMPWOGFEQNMRAA-KGLIPLIRSA-N 2 2 298.431 0.348 10 0 CCAELP C[N@@H+]1CCN(c2nccc(C(C)(C)C)n2)[C@H](C[NH3+])C1 ZINC000312065809 354205812 /nfs/dbraw/zinc/20/58/12/354205812.db2.gz FHAJDWFNBPHCII-LLVKDONJSA-N 2 2 263.389 0.853 10 0 CCAELP C[N@H+]1CCN(c2nccc(C(C)(C)C)n2)[C@H](C[NH3+])C1 ZINC000312065809 354205816 /nfs/dbraw/zinc/20/58/16/354205816.db2.gz FHAJDWFNBPHCII-LLVKDONJSA-N 2 2 263.389 0.853 10 0 CCAELP Cc1cc(NC[C@@H]2C[NH2+]CCCO2)nc(C2CC2)[nH+]1 ZINC000333709584 354780241 /nfs/dbraw/zinc/78/02/41/354780241.db2.gz SAHJCJFEARUZJV-LBPRGKRZSA-N 2 2 262.357 0.875 10 0 CCAELP Cc1cc(NC[C@H]2C[NH2+]CCCO2)nc(C2CC2)[nH+]1 ZINC000333709583 354780636 /nfs/dbraw/zinc/78/06/36/354780636.db2.gz SAHJCJFEARUZJV-GFCCVEGCSA-N 2 2 262.357 0.875 10 0 CCAELP CC(C)[C@]1(CO)CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000368002081 357305342 /nfs/dbraw/zinc/30/53/42/357305342.db2.gz ZXHSUDARVPHYKC-OAHLLOKOSA-N 2 2 283.416 0.101 10 0 CCAELP CC(C)[C@]1(CO)CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000368002081 357305344 /nfs/dbraw/zinc/30/53/44/357305344.db2.gz ZXHSUDARVPHYKC-OAHLLOKOSA-N 2 2 283.416 0.101 10 0 CCAELP CCCNC(=O)CN(C)C(=O)C[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261788864 283364745 /nfs/dbraw/zinc/36/47/45/283364745.db2.gz XQAUTARWHPQIFW-LBPRGKRZSA-N 2 2 298.431 0.030 10 0 CCAELP CCCNC(=O)CN(C)C(=O)C[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261788864 283364746 /nfs/dbraw/zinc/36/47/46/283364746.db2.gz XQAUTARWHPQIFW-LBPRGKRZSA-N 2 2 298.431 0.030 10 0 CCAELP [NH3+]CC[N@@H+]1CCCOC[C@@H]1c1ccc(CCO)cc1 ZINC000616597353 365379685 /nfs/dbraw/zinc/37/96/85/365379685.db2.gz PNLDBNKTRHSMIO-OAHLLOKOSA-N 2 2 264.369 0.944 10 0 CCAELP [NH3+]CC[N@H+]1CCCOC[C@@H]1c1ccc(CCO)cc1 ZINC000616597353 365379694 /nfs/dbraw/zinc/37/96/94/365379694.db2.gz PNLDBNKTRHSMIO-OAHLLOKOSA-N 2 2 264.369 0.944 10 0 CCAELP O[C@H]1COCC[C@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000624236954 367800727 /nfs/dbraw/zinc/80/07/27/367800727.db2.gz NGCROFWBJZOKSQ-KGLIPLIRSA-N 2 2 277.368 0.790 10 0 CCAELP Cc1c(C[NH+]2CCC([NH2+]CCO)CC2)cnn1C ZINC000635001487 372338397 /nfs/dbraw/zinc/33/83/97/372338397.db2.gz UEHUZZKVOIOYEN-UHFFFAOYSA-N 2 2 252.362 0.275 10 0 CCAELP Cc1cn2cc(NC(=O)N(C)[C@H]3C[NH2+]C[C@@H]3O)ccc2[nH+]1 ZINC000333088440 205018746 /nfs/dbraw/zinc/01/87/46/205018746.db2.gz CAVYXQBUWVQRKY-RYUDHWBXSA-N 2 2 289.339 0.439 10 0 CCAELP CC(C)(CNC(=O)N[C@H]1CCCC[NH2+]C1)[NH+]1CCOCC1 ZINC000333140434 205063290 /nfs/dbraw/zinc/06/32/90/205063290.db2.gz CXQNCFWKJSZYLX-ZDUSSCGKSA-N 2 2 298.431 0.539 10 0 CCAELP C[C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C[C@@H]1[NH3+] ZINC000333302623 205199999 /nfs/dbraw/zinc/19/99/99/205199999.db2.gz QHUDAKGZMQBMPF-KWCYVHTRSA-N 2 2 281.400 0.293 10 0 CCAELP C[C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)C[C@@H]1[NH3+] ZINC000333302623 205200001 /nfs/dbraw/zinc/20/00/01/205200001.db2.gz QHUDAKGZMQBMPF-KWCYVHTRSA-N 2 2 281.400 0.293 10 0 CCAELP COC[C@@]1(C(=O)N2CCn3cc[nH+]c3C2)CCCC[NH2+]1 ZINC000638096999 374659518 /nfs/dbraw/zinc/65/95/18/374659518.db2.gz PSOBBPDNCZCCDG-CQSZACIVSA-N 2 2 278.356 0.384 10 0 CCAELP OCCN1CCC[C@H]([NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657351011 412969136 /nfs/dbraw/zinc/96/91/36/412969136.db2.gz GZDCFBRBQWWLOD-LBPRGKRZSA-N 2 2 264.373 0.376 10 0 CCAELP Cc1[nH]c(CN[C@H]2CCC[N@H+](CCO)C2)[nH+]c1C ZINC000657350447 412972251 /nfs/dbraw/zinc/97/22/51/412972251.db2.gz DIQKQARXTKWXTQ-LBPRGKRZSA-N 2 2 252.362 0.573 10 0 CCAELP Cc1[nH]c(CN[C@H]2CCC[N@@H+](CCO)C2)[nH+]c1C ZINC000657350447 412972254 /nfs/dbraw/zinc/97/22/54/412972254.db2.gz DIQKQARXTKWXTQ-LBPRGKRZSA-N 2 2 252.362 0.573 10 0 CCAELP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000335323455 208188725 /nfs/dbraw/zinc/18/87/25/208188725.db2.gz XDYUXYOSCREVFN-QWRGUYRKSA-N 2 2 275.343 0.784 10 0 CCAELP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000335323455 208188730 /nfs/dbraw/zinc/18/87/30/208188730.db2.gz XDYUXYOSCREVFN-QWRGUYRKSA-N 2 2 275.343 0.784 10 0 CCAELP C[C@@H](CNC(=O)NC1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000071913139 388959122 /nfs/dbraw/zinc/95/91/22/388959122.db2.gz XNWFYUQWAKFCMK-LBPRGKRZSA-N 2 2 284.404 0.101 10 0 CCAELP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000248961373 389251010 /nfs/dbraw/zinc/25/10/10/389251010.db2.gz HVQJOFQRNMJRGH-MNOVXSKESA-N 2 2 289.383 0.364 10 0 CCAELP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000248961373 389251011 /nfs/dbraw/zinc/25/10/11/389251011.db2.gz HVQJOFQRNMJRGH-MNOVXSKESA-N 2 2 289.383 0.364 10 0 CCAELP CCC[C@@H](C(=O)NC[C@@H]1C[N@H+](C)CCO1)[NH+](C)C ZINC000162514305 389419804 /nfs/dbraw/zinc/41/98/04/389419804.db2.gz UKWNWVWKUUTVBA-NEPJUHHUSA-N 2 2 257.378 0.164 10 0 CCAELP CCC[C@@H](C(=O)NC[C@@H]1C[N@@H+](C)CCO1)[NH+](C)C ZINC000162514305 389419810 /nfs/dbraw/zinc/41/98/10/389419810.db2.gz UKWNWVWKUUTVBA-NEPJUHHUSA-N 2 2 257.378 0.164 10 0 CCAELP c1nc(N2CCSCC2)cc(NC[C@H]2C[NH2+]CCO2)[nH+]1 ZINC000333670419 389439685 /nfs/dbraw/zinc/43/96/85/389439685.db2.gz MZEOCGCZEZSSTF-LLVKDONJSA-N 2 2 295.412 0.430 10 0 CCAELP c1nc(NC[C@H]2C[NH2+]CCO2)cc(N2CCSCC2)[nH+]1 ZINC000333670419 389439689 /nfs/dbraw/zinc/43/96/89/389439689.db2.gz MZEOCGCZEZSSTF-LLVKDONJSA-N 2 2 295.412 0.430 10 0 CCAELP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000333860733 389446868 /nfs/dbraw/zinc/44/68/68/389446868.db2.gz RZIRCSHRGKKWHF-ZOBORPQBSA-N 2 2 296.415 0.099 10 0 CCAELP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000333860733 389446870 /nfs/dbraw/zinc/44/68/70/389446870.db2.gz RZIRCSHRGKKWHF-ZOBORPQBSA-N 2 2 296.415 0.099 10 0 CCAELP COCC[N@@H+]1CCN(Cc2c[nH+]cn2C)C[C@H]1C ZINC000177054452 389570835 /nfs/dbraw/zinc/57/08/35/389570835.db2.gz XBWAUKOWVUDWFN-GFCCVEGCSA-N 2 2 252.362 0.573 10 0 CCAELP COCC[N@H+]1CCN(Cc2c[nH+]cn2C)C[C@H]1C ZINC000177054452 389570839 /nfs/dbraw/zinc/57/08/39/389570839.db2.gz XBWAUKOWVUDWFN-GFCCVEGCSA-N 2 2 252.362 0.573 10 0 CCAELP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1CCCO ZINC000388888171 389770921 /nfs/dbraw/zinc/77/09/21/389770921.db2.gz SQKLFXVTKFPQNO-ZIAGYGMSSA-N 2 2 274.405 0.162 10 0 CCAELP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1CCCO ZINC000388888171 389770923 /nfs/dbraw/zinc/77/09/23/389770923.db2.gz SQKLFXVTKFPQNO-ZIAGYGMSSA-N 2 2 274.405 0.162 10 0 CCAELP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1CCCO ZINC000388888171 389770926 /nfs/dbraw/zinc/77/09/26/389770926.db2.gz SQKLFXVTKFPQNO-ZIAGYGMSSA-N 2 2 274.405 0.162 10 0 CCAELP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H]1CCCO ZINC000388888171 389770928 /nfs/dbraw/zinc/77/09/28/389770928.db2.gz SQKLFXVTKFPQNO-ZIAGYGMSSA-N 2 2 274.405 0.162 10 0 CCAELP CC(C)n1cc[nH+]c1CN1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000649420786 397610427 /nfs/dbraw/zinc/61/04/27/397610427.db2.gz XKQHWVOATDKNST-NWDGAFQWSA-N 2 2 250.346 0.637 10 0 CCAELP O=C([C@@H]1COCC[NH2+]1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000088372409 304371032 /nfs/dbraw/zinc/37/10/32/304371032.db2.gz YTFFDMDJBNIHHU-STQMWFEESA-N 2 2 267.373 0.062 10 0 CCAELP C[N@@H+](Cc1nccc(N)n1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000328644066 411759309 /nfs/dbraw/zinc/75/93/09/411759309.db2.gz RPQXHFZBJPPBRC-LLVKDONJSA-N 2 2 272.356 0.950 10 0 CCAELP C[N@H+](Cc1nccc(N)n1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000328644066 411759310 /nfs/dbraw/zinc/75/93/10/411759310.db2.gz RPQXHFZBJPPBRC-LLVKDONJSA-N 2 2 272.356 0.950 10 0 CCAELP Cc1[nH+]ccn1CCCN1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000652341653 412031801 /nfs/dbraw/zinc/03/18/01/412031801.db2.gz BSRKIWNWPZLLAL-KGLIPLIRSA-N 2 2 264.373 0.644 10 0 CCAELP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H]2OCCN[C@@H]2C1 ZINC000652341653 412031802 /nfs/dbraw/zinc/03/18/02/412031802.db2.gz BSRKIWNWPZLLAL-KGLIPLIRSA-N 2 2 264.373 0.644 10 0 CCAELP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H]2OCCN[C@@H]2C1 ZINC000652341653 412031805 /nfs/dbraw/zinc/03/18/05/412031805.db2.gz BSRKIWNWPZLLAL-KGLIPLIRSA-N 2 2 264.373 0.644 10 0 CCAELP CC[N@H+](CC(=O)n1oc(C)cc1=O)C1CC[NH2+]CC1 ZINC000037538136 173257975 /nfs/dbraw/zinc/25/79/75/173257975.db2.gz IWNTUKBRJMRJHM-UHFFFAOYSA-N 2 2 267.329 0.464 10 0 CCAELP CC[N@@H+](CC(=O)n1oc(C)cc1=O)C1CC[NH2+]CC1 ZINC000037538136 173257977 /nfs/dbraw/zinc/25/79/77/173257977.db2.gz IWNTUKBRJMRJHM-UHFFFAOYSA-N 2 2 267.329 0.464 10 0 CCAELP CCCCNc1nc[nH+]c(NN2CC[NH+](C)CC2)c1N ZINC000040706499 174379803 /nfs/dbraw/zinc/37/98/03/174379803.db2.gz YRFCKANDGHMNOD-UHFFFAOYSA-N 2 2 279.392 0.845 10 0 CCAELP C[NH2+]C[C@H]1CC[N@H+](CC(=O)N[C@@H](C)c2ccco2)C1 ZINC000071147515 176043311 /nfs/dbraw/zinc/04/33/11/176043311.db2.gz DQFBEIZBPHYZTK-NWDGAFQWSA-N 2 2 265.357 0.998 10 0 CCAELP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)N[C@@H](C)c2ccco2)C1 ZINC000071147515 176043312 /nfs/dbraw/zinc/04/33/12/176043312.db2.gz DQFBEIZBPHYZTK-NWDGAFQWSA-N 2 2 265.357 0.998 10 0 CCAELP CCC[N@@H+]1CC[C@@H]([NH3+])C12C[C@H]1CC[C@@H](C2)S1(=O)=O ZINC000725266029 545886247 /nfs/dbraw/zinc/88/62/47/545886247.db2.gz OAWGJINEDRVKCX-DAAZQVBGSA-N 2 2 272.414 0.908 10 0 CCAELP CCC[N@H+]1CC[C@@H]([NH3+])C12C[C@H]1CC[C@@H](C2)S1(=O)=O ZINC000725266029 545886251 /nfs/dbraw/zinc/88/62/51/545886251.db2.gz OAWGJINEDRVKCX-DAAZQVBGSA-N 2 2 272.414 0.908 10 0 CCAELP C[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])C[C@@H]1[NH+]1CCOCC1 ZINC000178860245 544748781 /nfs/dbraw/zinc/74/87/81/544748781.db2.gz BLLQJKJRKUJYBI-MQYQWHSLSA-N 2 2 281.400 0.293 10 0 CCAELP COc1cc[nH+]c(CN2C[C@@H](C)[C@@H]([NH3+])C2)c1OC ZINC000234999607 544871995 /nfs/dbraw/zinc/87/19/95/544871995.db2.gz NCBJFZHFIHMSKB-ZJUUUORDSA-N 2 2 251.330 0.878 10 0 CCAELP CC[C@H]1COCCN1C(=O)[C@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000038043260 281203202 /nfs/dbraw/zinc/20/32/02/281203202.db2.gz LJWALDOCRVXKIS-DZGCQCFKSA-N 2 2 295.427 0.840 10 0 CCAELP CC[C@H]1COCCN1C(=O)[C@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000038043260 281203205 /nfs/dbraw/zinc/20/32/05/281203205.db2.gz LJWALDOCRVXKIS-DZGCQCFKSA-N 2 2 295.427 0.840 10 0 CCAELP CC1(C)C[N@H+](CCNC(=O)NC[C@H]2CC[NH2+]C2)CCO1 ZINC000333847133 281238970 /nfs/dbraw/zinc/23/89/70/281238970.db2.gz WMAOEIPESCZHEJ-LBPRGKRZSA-N 2 2 284.404 0.006 10 0 CCAELP CC1(C)C[N@@H+](CCNC(=O)NC[C@H]2CC[NH2+]C2)CCO1 ZINC000333847133 281238972 /nfs/dbraw/zinc/23/89/72/281238972.db2.gz WMAOEIPESCZHEJ-LBPRGKRZSA-N 2 2 284.404 0.006 10 0 CCAELP CC1(C)C[N@@H+](CCC[NH+]2CCCC2)C[C@@H](CO)O1 ZINC000163867616 520464682 /nfs/dbraw/zinc/46/46/82/520464682.db2.gz ZHFIBGMNTZBQBO-ZDUSSCGKSA-N 2 2 256.390 0.944 10 0 CCAELP CC(C)(C)N1CC[NH+](C[C@H]2CC[C@@H](C[NH3+])O2)CC1 ZINC000052571652 518711622 /nfs/dbraw/zinc/71/16/22/518711622.db2.gz CLBOVGJAZSRQGN-QWHCGFSZSA-N 2 2 255.406 0.909 10 0 CCAELP CC1(C)C[N@H+](CCC[NH+]2CCCC2)C[C@@H](CO)O1 ZINC000163867616 520464678 /nfs/dbraw/zinc/46/46/78/520464678.db2.gz ZHFIBGMNTZBQBO-ZDUSSCGKSA-N 2 2 256.390 0.944 10 0 CCAELP C[NH+](C)C[C@H]1CCCN1C(=O)c1cccc(NN)[nH+]1 ZINC000061656128 521866311 /nfs/dbraw/zinc/86/63/11/521866311.db2.gz AJULZCNZFUOTBB-SNVBAGLBSA-N 2 2 263.345 0.533 10 0 CCAELP C[C@H](C[NH+]1CCCC1)[NH2+]C[C@H](O)Cn1cccn1 ZINC000049163985 524316304 /nfs/dbraw/zinc/31/63/04/524316304.db2.gz FHBDVEBCTALDCQ-OLZOCXBDSA-N 2 2 252.362 0.318 10 0 CCAELP C[C@H](C[NH+]1CCCC1)[NH2+]C[C@@H](O)Cn1cccn1 ZINC000049163992 524316673 /nfs/dbraw/zinc/31/66/73/524316673.db2.gz FHBDVEBCTALDCQ-CHWSQXEVSA-N 2 2 252.362 0.318 10 0 CCAELP NC(=O)[C@@H]([NH3+])CC[NH+]1CCN(c2ccccc2)CC1 ZINC000062437042 526954546 /nfs/dbraw/zinc/95/45/46/526954546.db2.gz MHPUGPLNABVYAU-ZDUSSCGKSA-N 2 2 262.357 0.011 10 0 CCAELP COC[C@@H]([NH3+])C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000262328085 536657480 /nfs/dbraw/zinc/65/74/80/536657480.db2.gz RGHWVJTWTOBESQ-VXGBXAGGSA-N 2 2 280.372 0.175 10 0 CCAELP COC(=O)[C@H]1CCC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000312107202 625371498 /nfs/dbraw/zinc/37/14/98/625371498.db2.gz KRQAFCYAGVHYSF-STQMWFEESA-N 2 2 270.373 0.328 10 0 CCAELP COC(=O)[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000312107202 625371500 /nfs/dbraw/zinc/37/15/00/625371500.db2.gz KRQAFCYAGVHYSF-STQMWFEESA-N 2 2 270.373 0.328 10 0 CCAELP CO[C@@H]1CC(=O)N(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)C1 ZINC000189163601 649370858 /nfs/dbraw/zinc/37/08/58/649370858.db2.gz VZQCVKDRISINFO-ZIAGYGMSSA-N 2 2 292.383 0.861 10 0 CCAELP CO[C@@H]1CC(=O)N(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)C1 ZINC000189163601 649370870 /nfs/dbraw/zinc/37/08/70/649370870.db2.gz VZQCVKDRISINFO-ZIAGYGMSSA-N 2 2 292.383 0.861 10 0 CCAELP [NH3+][C@H]1CC[C@H](C(=O)NCCCCn2cc[nH+]c2)C1 ZINC000091547679 349467605 /nfs/dbraw/zinc/46/76/05/349467605.db2.gz LIKCEPZPGKXSOD-RYUDHWBXSA-N 2 2 250.346 0.907 10 0 CCAELP C[NH+]1CCN(C(=O)c2c[nH]nc2[C@@H]2CCC[NH2+]C2)CC1 ZINC000261657314 137014524 /nfs/dbraw/zinc/01/45/24/137014524.db2.gz WTFFCOMKKARGIQ-LLVKDONJSA-N 2 2 277.372 0.264 10 0 CCAELP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cc(F)c(F)cc1F ZINC000263167107 137059492 /nfs/dbraw/zinc/05/94/92/137059492.db2.gz FHAYAFCGHDKPQS-QPUJVOFHSA-N 2 2 260.259 0.774 10 0 CCAELP COC(=O)c1cc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)oc1C ZINC000261827861 137021477 /nfs/dbraw/zinc/02/14/77/137021477.db2.gz ACJNJMIYLFLPFY-JOYOIKCWSA-N 2 2 268.313 0.045 10 0 CCAELP COc1cc(C)nc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)c1 ZINC000262182968 137029911 /nfs/dbraw/zinc/02/99/11/137029911.db2.gz XCVBTIZPFKUKFD-ZWNOBZJWSA-N 2 2 251.330 0.069 10 0 CCAELP COc1cc(C)[nH+]c(CNC[C@@H]2C[NH2+]C[C@H]2O)c1 ZINC000262182968 137029912 /nfs/dbraw/zinc/02/99/12/137029912.db2.gz XCVBTIZPFKUKFD-ZWNOBZJWSA-N 2 2 251.330 0.069 10 0 CCAELP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cnc(-c2ccccc2)[nH]1 ZINC000263208374 137060341 /nfs/dbraw/zinc/06/03/41/137060341.db2.gz KAFHGYCIZXYLJW-JSGCOSHPSA-N 2 2 272.352 0.747 10 0 CCAELP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cnc([C@H]2CCCO2)s1 ZINC000263241460 137061117 /nfs/dbraw/zinc/06/11/17/137061117.db2.gz OREWIKMPCRYPNO-YUSALJHKSA-N 2 2 283.397 0.665 10 0 CCAELP O=C(CC[C@H]1CCC[NH2+]C1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000062976755 348674623 /nfs/dbraw/zinc/67/46/23/348674623.db2.gz RDDBJNDLURYPOO-HUUCEWRRSA-N 2 2 295.427 0.699 10 0 CCAELP O=C(Nc1cccc(-n2cc[nH+]c2)c1)[C@@H]1COCC[NH2+]1 ZINC000088358341 349361646 /nfs/dbraw/zinc/36/16/46/349361646.db2.gz KLVFNJHWJQIOON-ZDUSSCGKSA-N 2 2 272.308 0.799 10 0 CCAELP CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000104798015 186023994 /nfs/dbraw/zinc/02/39/94/186023994.db2.gz IHCBYDRFKIRPRB-QWHCGFSZSA-N 2 2 286.420 0.347 10 0 CCAELP CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000104798015 186023996 /nfs/dbraw/zinc/02/39/96/186023996.db2.gz IHCBYDRFKIRPRB-QWHCGFSZSA-N 2 2 286.420 0.347 10 0 CCAELP CC[C@H](C)[NH+](C)CCNC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000104798015 186023998 /nfs/dbraw/zinc/02/39/98/186023998.db2.gz IHCBYDRFKIRPRB-QWHCGFSZSA-N 2 2 286.420 0.347 10 0 CCAELP CC[C@H](C)[NH+](C)CCNC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000104798015 186023999 /nfs/dbraw/zinc/02/39/99/186023999.db2.gz IHCBYDRFKIRPRB-QWHCGFSZSA-N 2 2 286.420 0.347 10 0 CCAELP O=C(NCCC[NH+]1CCOCC1)N1CC[NH+](C2CC2)CC1 ZINC000105070254 186039682 /nfs/dbraw/zinc/03/96/82/186039682.db2.gz UGEHQUQNXOORSL-UHFFFAOYSA-N 2 2 296.415 0.198 10 0 CCAELP COC(=O)c1ccc(N2CC[N@H+](C)C[C@@H]2C[NH3+])nc1C ZINC000147696477 350470224 /nfs/dbraw/zinc/47/02/24/350470224.db2.gz HKOJBLMYOZDFME-NSHDSACASA-N 2 2 278.356 0.256 10 0 CCAELP COC(=O)c1ccc(N2CC[N@@H+](C)C[C@@H]2C[NH3+])nc1C ZINC000147696477 350470227 /nfs/dbraw/zinc/47/02/27/350470227.db2.gz HKOJBLMYOZDFME-NSHDSACASA-N 2 2 278.356 0.256 10 0 CCAELP C[NH+]1CCN([C@H]2CCCC[N@H+](CC(=O)NC3CC3)C2)CC1 ZINC000174887470 351109104 /nfs/dbraw/zinc/10/91/04/351109104.db2.gz MXYQMWQYBHSWJR-HNNXBMFYSA-N 2 2 294.443 0.367 10 0 CCAELP C[NH+]1CCN([C@H]2CCCC[N@@H+](CC(=O)NC3CC3)C2)CC1 ZINC000174887470 351109112 /nfs/dbraw/zinc/10/91/12/351109112.db2.gz MXYQMWQYBHSWJR-HNNXBMFYSA-N 2 2 294.443 0.367 10 0 CCAELP C[C@H](C(=O)NC[C@H]1C[N@@H+](C)CCO1)[NH+]1CCCCCC1 ZINC000175795064 351143475 /nfs/dbraw/zinc/14/34/75/351143475.db2.gz CLPPWQVVWBWLLA-KGLIPLIRSA-N 2 2 283.416 0.698 10 0 CCAELP CCn1cc[nH+]c1CNC(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333734277 354784643 /nfs/dbraw/zinc/78/46/43/354784643.db2.gz IEIJYEDXLBOBAX-LLVKDONJSA-N 2 2 265.361 0.844 10 0 CCAELP [NH3+]CC[N@@H+]1CCOC[C@@H](c2ccc(CCO)cc2)C1 ZINC000616659165 365412743 /nfs/dbraw/zinc/41/27/43/365412743.db2.gz CSSNQOFLCRSERL-HNNXBMFYSA-N 2 2 264.369 0.596 10 0 CCAELP [NH3+]CC[N@H+]1CCOC[C@@H](c2ccc(CCO)cc2)C1 ZINC000616659165 365412747 /nfs/dbraw/zinc/41/27/47/365412747.db2.gz CSSNQOFLCRSERL-HNNXBMFYSA-N 2 2 264.369 0.596 10 0 CCAELP C[C@H](O)C[N@H+]1CCN(CCCn2cc[nH+]c2)C[C@@H]1C ZINC000245842990 389219561 /nfs/dbraw/zinc/21/95/61/389219561.db2.gz CZALNTSNMBGUIA-KBPBESRZSA-N 2 2 266.389 0.660 10 0 CCAELP C[N@@H+]1CCO[C@H]2CCN(c3cc(NC4CC4)[nH+]cn3)C[C@H]21 ZINC000334022898 389452476 /nfs/dbraw/zinc/45/24/76/389452476.db2.gz DVCYMPPKJWQJQX-OLZOCXBDSA-N 2 2 289.383 0.960 10 0 CCAELP C[N@H+]1CCO[C@H]2CCN(c3cc(NC4CC4)[nH+]cn3)C[C@H]21 ZINC000334022898 389452479 /nfs/dbraw/zinc/45/24/79/389452479.db2.gz DVCYMPPKJWQJQX-OLZOCXBDSA-N 2 2 289.383 0.960 10 0 CCAELP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000173969101 389513021 /nfs/dbraw/zinc/51/30/21/389513021.db2.gz AJWMZQDZBVWRNO-KGLIPLIRSA-N 2 2 283.416 0.506 10 0 CCAELP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000173969101 389513025 /nfs/dbraw/zinc/51/30/25/389513025.db2.gz AJWMZQDZBVWRNO-KGLIPLIRSA-N 2 2 283.416 0.506 10 0 CCAELP CC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)N2CCOCC2)C1 ZINC000385802091 397500208 /nfs/dbraw/zinc/50/02/08/397500208.db2.gz LZAIEMNNCSZGOU-ZDUSSCGKSA-N 2 2 255.406 0.781 10 0 CCAELP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)N2CCOCC2)C1 ZINC000385802091 397500211 /nfs/dbraw/zinc/50/02/11/397500211.db2.gz LZAIEMNNCSZGOU-ZDUSSCGKSA-N 2 2 255.406 0.781 10 0 CCAELP [NH3+]CCC[NH+]1CCN(C(=O)c2ccccc2F)CC1 ZINC000020181748 171045607 /nfs/dbraw/zinc/04/56/07/171045607.db2.gz OWOCQCWLVQZCOH-UHFFFAOYSA-N 2 2 265.332 0.932 10 0 CCAELP Cc1ccc(C[NH3+])cc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000020189386 171055352 /nfs/dbraw/zinc/05/53/52/171055352.db2.gz XWHZPAISMGYKKW-UHFFFAOYSA-N 2 2 283.397 0.390 10 0 CCAELP O=C(NCC1CC1)[C@@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000038042858 174047485 /nfs/dbraw/zinc/04/74/85/174047485.db2.gz SMPZORHSLXJRIL-ZDUSSCGKSA-N 2 2 251.374 0.729 10 0 CCAELP O=C(NCC1CC1)[C@@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000038042858 174047487 /nfs/dbraw/zinc/04/74/87/174047487.db2.gz SMPZORHSLXJRIL-ZDUSSCGKSA-N 2 2 251.374 0.729 10 0 CCAELP CCOC(=O)[C@@](C)(N)CC[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191011 176067896 /nfs/dbraw/zinc/06/78/96/176067896.db2.gz IRWSXBMMBPYZJL-OCCSQVGLSA-N 2 2 271.405 0.541 10 0 CCAELP CCOC(=O)[C@@](C)(N)CC[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191011 176067898 /nfs/dbraw/zinc/06/78/98/176067898.db2.gz IRWSXBMMBPYZJL-OCCSQVGLSA-N 2 2 271.405 0.541 10 0 CCAELP CCOC(=O)[C@@](C)(N)CC[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191011 176067900 /nfs/dbraw/zinc/06/79/00/176067900.db2.gz IRWSXBMMBPYZJL-OCCSQVGLSA-N 2 2 271.405 0.541 10 0 CCAELP CCOC(=O)[C@@](C)(N)CC[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191011 176067902 /nfs/dbraw/zinc/06/79/02/176067902.db2.gz IRWSXBMMBPYZJL-OCCSQVGLSA-N 2 2 271.405 0.541 10 0 CCAELP CCOC(=O)[C@@](C)([NH3+])CCN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191011 176067903 /nfs/dbraw/zinc/06/79/03/176067903.db2.gz IRWSXBMMBPYZJL-OCCSQVGLSA-N 2 2 271.405 0.541 10 0 CCAELP CCOC(=O)[C@@](C)([NH3+])CCN(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191011 176067905 /nfs/dbraw/zinc/06/79/05/176067905.db2.gz IRWSXBMMBPYZJL-OCCSQVGLSA-N 2 2 271.405 0.541 10 0 CCAELP COC(=O)[C@@H]1CCC[N@@H+]([C@H]2COC[C@H]2C[NH+](C)C)C1 ZINC000725273853 545889627 /nfs/dbraw/zinc/88/96/27/545889627.db2.gz NCLBYKCDGURWTI-UPJWGTAASA-N 2 2 270.373 0.448 10 0 CCAELP COC(=O)[C@@H]1CCC[N@H+]([C@H]2COC[C@H]2C[NH+](C)C)C1 ZINC000725273853 545889630 /nfs/dbraw/zinc/88/96/30/545889630.db2.gz NCLBYKCDGURWTI-UPJWGTAASA-N 2 2 270.373 0.448 10 0 CCAELP C[C@@H](CNC(=O)N(C)CCC[NH+](C)C)[NH+]1CCOCC1 ZINC000185365694 544775614 /nfs/dbraw/zinc/77/56/14/544775614.db2.gz LOFMLKITEROXSB-ZDUSSCGKSA-N 2 2 286.420 0.300 10 0 CCAELP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1csc(-c2ccccn2)n1 ZINC000262081244 544939563 /nfs/dbraw/zinc/93/95/63/544939563.db2.gz FAZHEFYVKFNJPD-MFKMUULPSA-N 2 2 290.392 0.875 10 0 CCAELP COc1cc2c(c(C[NH2+]C[C@@H]3C[NH2+]C[C@H]3O)c1)O[C@@H](C)C2 ZINC000262153472 544941957 /nfs/dbraw/zinc/94/19/57/544941957.db2.gz RNTLZIAXHLLIMG-PSOPSSQASA-N 2 2 292.379 0.689 10 0 CCAELP Cc1csc(=O)n1CC[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193618344 293019626 /nfs/dbraw/zinc/01/96/26/293019626.db2.gz CCJVBYWJWBUWCJ-TXEJJXNPSA-N 2 2 267.398 0.712 10 0 CCAELP Cc1csc(=O)n1CC[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193618344 293019629 /nfs/dbraw/zinc/01/96/29/293019629.db2.gz CCJVBYWJWBUWCJ-TXEJJXNPSA-N 2 2 267.398 0.712 10 0 CCAELP Cc1csc(=O)n1CC[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193618344 293019630 /nfs/dbraw/zinc/01/96/30/293019630.db2.gz CCJVBYWJWBUWCJ-TXEJJXNPSA-N 2 2 267.398 0.712 10 0 CCAELP Cc1csc(=O)n1CC[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193618344 293019632 /nfs/dbraw/zinc/01/96/32/293019632.db2.gz CCJVBYWJWBUWCJ-TXEJJXNPSA-N 2 2 267.398 0.712 10 0 CCAELP CC(C)C[C@@H](C[NH+](C)C)[NH2+]CCN1CCOCC1 ZINC000049556044 519775772 /nfs/dbraw/zinc/77/57/72/519775772.db2.gz MXCPEANMBXLENR-AWEZNQCLSA-N 2 2 257.422 0.885 10 0 CCAELP Cc1cc(N)c[nH+]c1N1CCN(CC[NH+](C)C)CC1 ZINC000061643108 525038110 /nfs/dbraw/zinc/03/81/10/525038110.db2.gz VXFVCIRINOYUKG-UHFFFAOYSA-N 2 2 263.389 0.656 10 0 CCAELP c1cn(CC[NH+]2CCOCC2)c(C[NH2+]C2CC2)n1 ZINC000051015002 526534129 /nfs/dbraw/zinc/53/41/29/526534129.db2.gz HHHFXOYUELLMEY-UHFFFAOYSA-N 2 2 250.346 0.467 10 0 CCAELP NC(=O)[C@H](CC[NH+]1Cc2ccccc2C1)[NH2+]C1CC1 ZINC000062531249 526991982 /nfs/dbraw/zinc/99/19/82/526991982.db2.gz XMJUNBQPEAGXPH-AWEZNQCLSA-N 2 2 259.353 0.998 10 0 CCAELP [NH3+]CCC[N@@H+]1CCCN(CCn2cccn2)CC1 ZINC000049313887 527180057 /nfs/dbraw/zinc/18/00/57/527180057.db2.gz LUNPUROZYJASBD-UHFFFAOYSA-N 2 2 251.378 0.240 10 0 CCAELP [NH3+]CCC[N@H+]1CCCN(CCn2cccn2)CC1 ZINC000049313887 527180060 /nfs/dbraw/zinc/18/00/60/527180060.db2.gz LUNPUROZYJASBD-UHFFFAOYSA-N 2 2 251.378 0.240 10 0 CCAELP [NH3+]C[C@H]1CCC[C@@H](C(=O)NCC[NH+]2CCOCC2)C1 ZINC000055145794 527235322 /nfs/dbraw/zinc/23/53/22/527235322.db2.gz RICWUZLFEHYQOM-QWHCGFSZSA-N 2 2 269.389 0.200 10 0 CCAELP O=S(=O)([C@@H]1CC[N@H+](CCn2cc[nH+]c2)C1)N1CCCC1 ZINC000163364256 527262896 /nfs/dbraw/zinc/26/28/96/527262896.db2.gz QVSQCRDWBQXNHX-CYBMUJFWSA-N 2 2 298.412 0.383 10 0 CCAELP O=S(=O)([C@@H]1CC[N@@H+](CCn2cc[nH+]c2)C1)N1CCCC1 ZINC000163364256 527262899 /nfs/dbraw/zinc/26/28/99/527262899.db2.gz QVSQCRDWBQXNHX-CYBMUJFWSA-N 2 2 298.412 0.383 10 0 CCAELP Cn1ncc(C[NH3+])c1C[N@H+](C)C1CC[NH+](C)CC1 ZINC000675056769 545320623 /nfs/dbraw/zinc/32/06/23/545320623.db2.gz WSVGWMYPZBVMQL-UHFFFAOYSA-N 3 2 251.378 0.405 10 0 CCAELP Cn1ncc(C[NH3+])c1C[N@@H+](C)C1CC[NH+](C)CC1 ZINC000675056769 545320624 /nfs/dbraw/zinc/32/06/24/545320624.db2.gz WSVGWMYPZBVMQL-UHFFFAOYSA-N 3 2 251.378 0.405 10 0 CCAELP Cn1cc(Br)c(CC2=C[C@H]([NH3+])C[NH2+]C2)n1 ZINC000675079039 545321381 /nfs/dbraw/zinc/32/13/81/545321381.db2.gz VEPXTCHAXSBVLF-QMMMGPOBSA-N 2 2 271.162 0.582 10 0 CCAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)n1ccnc1 ZINC000123504635 646113887 /nfs/dbraw/zinc/11/38/87/646113887.db2.gz YVYFKVQDNVNKHW-UHFFFAOYSA-N 2 2 279.388 0.809 10 0 CCAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)n1ccnc1 ZINC000123504635 646113893 /nfs/dbraw/zinc/11/38/93/646113893.db2.gz YVYFKVQDNVNKHW-UHFFFAOYSA-N 2 2 279.388 0.809 10 0 CCAELP C[C@@H]1OCC[C@@H]1NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000124839782 187156951 /nfs/dbraw/zinc/15/69/51/187156951.db2.gz ARYKKBXSMYKDAE-JSGCOSHPSA-N 2 2 298.431 0.489 10 0 CCAELP CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000105125178 349720487 /nfs/dbraw/zinc/72/04/87/349720487.db2.gz GWGCUTZLRYGTRV-STQMWFEESA-N 2 2 286.420 0.347 10 0 CCAELP CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000105125178 349720490 /nfs/dbraw/zinc/72/04/90/349720490.db2.gz GWGCUTZLRYGTRV-STQMWFEESA-N 2 2 286.420 0.347 10 0 CCAELP [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000261674664 137015149 /nfs/dbraw/zinc/01/51/49/137015149.db2.gz GGKWUTVSMZZJNX-RBSFLKMASA-N 2 2 295.427 0.685 10 0 CCAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)CC1 ZINC000261692745 137015969 /nfs/dbraw/zinc/01/59/69/137015969.db2.gz KSMJVNKPHCDMNQ-ZIAGYGMSSA-N 3 2 296.459 0.598 10 0 CCAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)CC1 ZINC000261692745 137015970 /nfs/dbraw/zinc/01/59/70/137015970.db2.gz KSMJVNKPHCDMNQ-ZIAGYGMSSA-N 3 2 296.459 0.598 10 0 CCAELP O=C(NCCn1cc[nH+]c1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000105064577 186039988 /nfs/dbraw/zinc/03/99/88/186039988.db2.gz MCKAQJHPIUZOLP-ZDUSSCGKSA-N 2 2 277.372 0.763 10 0 CCAELP O=C(NCCn1cc[nH+]c1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000105064577 186039989 /nfs/dbraw/zinc/03/99/89/186039989.db2.gz MCKAQJHPIUZOLP-ZDUSSCGKSA-N 2 2 277.372 0.763 10 0 CCAELP CC[NH+]1CCC(NC(=O)NC[C@H]2C[N@H+](C)CCO2)CC1 ZINC000105084282 186041111 /nfs/dbraw/zinc/04/11/11/186041111.db2.gz KKSLZVRRPBXNOG-ZDUSSCGKSA-N 2 2 284.404 0.101 10 0 CCAELP CC[NH+]1CCC(NC(=O)NC[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000105084282 186041112 /nfs/dbraw/zinc/04/11/12/186041112.db2.gz KKSLZVRRPBXNOG-ZDUSSCGKSA-N 2 2 284.404 0.101 10 0 CCAELP CCNC(=O)[C@@H]1C[C@H]([NH3+])CN1c1nc(C)[nH+]cc1CC ZINC000092037359 180309878 /nfs/dbraw/zinc/30/98/78/180309878.db2.gz PUFYHDKGFAOURV-RYUDHWBXSA-N 2 2 277.372 0.390 10 0 CCAELP CC[N@@H+]1CCC[C@H](Nc2nc[nH+]c(N)c2OC)C1 ZINC000134847700 350377760 /nfs/dbraw/zinc/37/77/60/350377760.db2.gz GFFXOQDPWXTCAR-VIFPVBQESA-N 2 2 251.334 0.964 10 0 CCAELP CC[N@H+]1CCC[C@H](Nc2nc[nH+]c(N)c2OC)C1 ZINC000134847700 350377762 /nfs/dbraw/zinc/37/77/62/350377762.db2.gz GFFXOQDPWXTCAR-VIFPVBQESA-N 2 2 251.334 0.964 10 0 CCAELP C[C@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH+]1CCOCC1 ZINC000136147469 350416403 /nfs/dbraw/zinc/41/64/03/350416403.db2.gz SYESBTNVAYHPQY-CQSZACIVSA-N 2 2 283.416 0.555 10 0 CCAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCC(=O)NC(N)=O)C1 ZINC000105904156 186087246 /nfs/dbraw/zinc/08/72/46/186087246.db2.gz KUGZMQKXYMLHCA-LLVKDONJSA-N 2 2 293.371 0.667 10 0 CCAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCC(=O)NC(N)=O)C1 ZINC000105904156 186087248 /nfs/dbraw/zinc/08/72/48/186087248.db2.gz KUGZMQKXYMLHCA-LLVKDONJSA-N 2 2 293.371 0.667 10 0 CCAELP C[C@H](CC(=O)NC[C@@H]1C[N@H+](C)CCO1)[C@@H]1CCC[NH2+]C1 ZINC000156242379 350628257 /nfs/dbraw/zinc/62/82/57/350628257.db2.gz WKVZSBRHUUBBNM-MGPQQGTHSA-N 2 2 283.416 0.459 10 0 CCAELP C[C@H](CC(=O)NC[C@@H]1C[N@@H+](C)CCO1)[C@@H]1CCC[NH2+]C1 ZINC000156242379 350628262 /nfs/dbraw/zinc/62/82/62/350628262.db2.gz WKVZSBRHUUBBNM-MGPQQGTHSA-N 2 2 283.416 0.459 10 0 CCAELP NS(=O)(=O)CCC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000170914535 350873095 /nfs/dbraw/zinc/87/30/95/350873095.db2.gz BPCRLSHDAAYTSE-GFCCVEGCSA-N 2 2 298.412 0.494 10 0 CCAELP NS(=O)(=O)CCC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000170914535 350873098 /nfs/dbraw/zinc/87/30/98/350873098.db2.gz BPCRLSHDAAYTSE-GFCCVEGCSA-N 2 2 298.412 0.494 10 0 CCAELP CC1(C)C[N@H+](CCNC(=O)[C@]2(C)CCCC[NH2+]2)CCO1 ZINC000180996702 351298185 /nfs/dbraw/zinc/29/81/85/351298185.db2.gz ALRKIZIPTKKYCV-HNNXBMFYSA-N 2 2 283.416 0.746 10 0 CCAELP CC1(C)C[N@@H+](CCNC(=O)[C@]2(C)CCCC[NH2+]2)CCO1 ZINC000180996702 351298188 /nfs/dbraw/zinc/29/81/88/351298188.db2.gz ALRKIZIPTKKYCV-HNNXBMFYSA-N 2 2 283.416 0.746 10 0 CCAELP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)OCC(C)C)C2)CC1 ZINC000181454204 351321427 /nfs/dbraw/zinc/32/14/27/351321427.db2.gz VRSWKSQMKRQUOI-OAHLLOKOSA-N 2 2 297.443 0.897 10 0 CCAELP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)OCC(C)C)C2)CC1 ZINC000181454204 351321431 /nfs/dbraw/zinc/32/14/31/351321431.db2.gz VRSWKSQMKRQUOI-OAHLLOKOSA-N 2 2 297.443 0.897 10 0 CCAELP CN(CC[N@H+](C)C1CC1)C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000185351724 351443979 /nfs/dbraw/zinc/44/39/79/351443979.db2.gz XDYLUJLEIOKWNQ-ZDUSSCGKSA-N 2 2 284.404 0.053 10 0 CCAELP CN(CC[N@@H+](C)C1CC1)C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000185351724 351443985 /nfs/dbraw/zinc/44/39/85/351443985.db2.gz XDYLUJLEIOKWNQ-ZDUSSCGKSA-N 2 2 284.404 0.053 10 0 CCAELP CN(CC[NH+](C)C1CC1)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000185351724 351443989 /nfs/dbraw/zinc/44/39/89/351443989.db2.gz XDYLUJLEIOKWNQ-ZDUSSCGKSA-N 2 2 284.404 0.053 10 0 CCAELP CN(CC[NH+](C)C1CC1)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000185351724 351443995 /nfs/dbraw/zinc/44/39/95/351443995.db2.gz XDYLUJLEIOKWNQ-ZDUSSCGKSA-N 2 2 284.404 0.053 10 0 CCAELP C[C@@H]1C[N@H+](CCN2CC[NH+]3CCC[C@@H]3C2)CCO1 ZINC000192979441 351806525 /nfs/dbraw/zinc/80/65/25/351806525.db2.gz LXCSKUNCHUSAKG-ZIAGYGMSSA-N 2 2 253.390 0.487 10 0 CCAELP C[C@@H]1C[N@@H+](CCN2CC[NH+]3CCC[C@@H]3C2)CCO1 ZINC000192979441 351806526 /nfs/dbraw/zinc/80/65/26/351806526.db2.gz LXCSKUNCHUSAKG-ZIAGYGMSSA-N 2 2 253.390 0.487 10 0 CCAELP C[C@@H]1C[NH+](CCN2CC[N@@H+]3CCC[C@@H]3C2)CCO1 ZINC000192979441 351806528 /nfs/dbraw/zinc/80/65/28/351806528.db2.gz LXCSKUNCHUSAKG-ZIAGYGMSSA-N 2 2 253.390 0.487 10 0 CCAELP C[C@@H]1C[NH+](CCN2CC[N@H+]3CCC[C@@H]3C2)CCO1 ZINC000192979441 351806529 /nfs/dbraw/zinc/80/65/29/351806529.db2.gz LXCSKUNCHUSAKG-ZIAGYGMSSA-N 2 2 253.390 0.487 10 0 CCAELP CC[NH2+]Cc1cccc(NC(=O)[C@H]2COCC[NH2+]2)c1 ZINC000122989927 187064605 /nfs/dbraw/zinc/06/46/05/187064605.db2.gz ZRFZQUXWKVWNES-CYBMUJFWSA-N 2 2 263.341 0.723 10 0 CCAELP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515605 351915796 /nfs/dbraw/zinc/91/57/96/351915796.db2.gz AATYQHITAXZGJK-WDEREUQCSA-N 2 2 291.355 0.399 10 0 CCAELP C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515605 351915799 /nfs/dbraw/zinc/91/57/99/351915799.db2.gz AATYQHITAXZGJK-WDEREUQCSA-N 2 2 291.355 0.399 10 0 CCAELP CC[N@@H+]1CCc2nc(NC(=O)[C@@H]3COCC[NH2+]3)sc2C1 ZINC000236828663 352218772 /nfs/dbraw/zinc/21/87/72/352218772.db2.gz JDUATYRHXKUBEC-JTQLQIEISA-N 2 2 296.396 0.448 10 0 CCAELP CC[N@H+]1CCc2nc(NC(=O)[C@@H]3COCC[NH2+]3)sc2C1 ZINC000236828663 352218777 /nfs/dbraw/zinc/21/87/77/352218777.db2.gz JDUATYRHXKUBEC-JTQLQIEISA-N 2 2 296.396 0.448 10 0 CCAELP CC[C@H]1CN([C@H](C)C[NH+]2CCOCC2)CC[N@@H+]1CCOC ZINC000246196416 352353755 /nfs/dbraw/zinc/35/37/55/352353755.db2.gz XKZTXDSFPUGDHI-CVEARBPZSA-N 2 2 299.459 0.750 10 0 CCAELP CC[C@H]1CN([C@H](C)C[NH+]2CCOCC2)CC[N@H+]1CCOC ZINC000246196416 352353757 /nfs/dbraw/zinc/35/37/57/352353757.db2.gz XKZTXDSFPUGDHI-CVEARBPZSA-N 2 2 299.459 0.750 10 0 CCAELP C[C@H](O)C[N@@H+]1CCN(CCn2cc[nH+]c2)C[C@@H]1C ZINC000245624914 352331898 /nfs/dbraw/zinc/33/18/98/352331898.db2.gz ORFPGBUNHMRHPY-STQMWFEESA-N 2 2 252.362 0.270 10 0 CCAELP C[C@H](O)C[N@H+]1CCN(CCn2cc[nH+]c2)C[C@@H]1C ZINC000245624914 352331899 /nfs/dbraw/zinc/33/18/99/352331899.db2.gz ORFPGBUNHMRHPY-STQMWFEESA-N 2 2 252.362 0.270 10 0 CCAELP CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000246387543 352364571 /nfs/dbraw/zinc/36/45/71/352364571.db2.gz IHCBYDRFKIRPRB-STQMWFEESA-N 2 2 286.420 0.347 10 0 CCAELP CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000246387543 352364576 /nfs/dbraw/zinc/36/45/76/352364576.db2.gz IHCBYDRFKIRPRB-STQMWFEESA-N 2 2 286.420 0.347 10 0 CCAELP CC[C@H](C)[NH+](C)CCNC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000246387543 352364578 /nfs/dbraw/zinc/36/45/78/352364578.db2.gz IHCBYDRFKIRPRB-STQMWFEESA-N 2 2 286.420 0.347 10 0 CCAELP CC[C@H](C)[NH+](C)CCNC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000246387543 352364580 /nfs/dbraw/zinc/36/45/80/352364580.db2.gz IHCBYDRFKIRPRB-STQMWFEESA-N 2 2 286.420 0.347 10 0 CCAELP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@H]2C[NH+](C)CCO2)C1 ZINC000247012189 352393186 /nfs/dbraw/zinc/39/31/86/352393186.db2.gz HEDQNVGTTGYACA-HZSPNIEDSA-N 2 2 298.431 0.345 10 0 CCAELP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@H]2C[NH+](C)CCO2)C1 ZINC000247012189 352393188 /nfs/dbraw/zinc/39/31/88/352393188.db2.gz HEDQNVGTTGYACA-HZSPNIEDSA-N 2 2 298.431 0.345 10 0 CCAELP CC(C)[NH+]1C[C@@H](C)[C@H](NC(=O)NC[C@H]2C[N@H+](C)CCO2)C1 ZINC000247012189 352393192 /nfs/dbraw/zinc/39/31/92/352393192.db2.gz HEDQNVGTTGYACA-HZSPNIEDSA-N 2 2 298.431 0.345 10 0 CCAELP CC(C)[NH+]1C[C@@H](C)[C@H](NC(=O)NC[C@H]2C[N@@H+](C)CCO2)C1 ZINC000247012189 352393195 /nfs/dbraw/zinc/39/31/95/352393195.db2.gz HEDQNVGTTGYACA-HZSPNIEDSA-N 2 2 298.431 0.345 10 0 CCAELP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC[NH+]1CCOCC1 ZINC000247068953 352395959 /nfs/dbraw/zinc/39/59/59/352395959.db2.gz HLGXANJUUOFAFY-KGLIPLIRSA-N 2 2 296.415 0.197 10 0 CCAELP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCC[NH+]1CCOCC1 ZINC000247068953 352395961 /nfs/dbraw/zinc/39/59/61/352395961.db2.gz HLGXANJUUOFAFY-KGLIPLIRSA-N 2 2 296.415 0.197 10 0 CCAELP C[N@@H+]1CCO[C@@H](CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000250382014 352505175 /nfs/dbraw/zinc/50/51/75/352505175.db2.gz MKNMRVCEJPLYOJ-GSPSYOTPSA-N 2 2 281.400 0.354 10 0 CCAELP C[N@H+]1CCO[C@@H](CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000250382014 352505176 /nfs/dbraw/zinc/50/51/76/352505176.db2.gz MKNMRVCEJPLYOJ-GSPSYOTPSA-N 2 2 281.400 0.354 10 0 CCAELP CC(C)Oc1cncc(N2CC[N@H+](C)C[C@H]2C[NH3+])n1 ZINC000250590272 352506289 /nfs/dbraw/zinc/50/62/89/352506289.db2.gz RKVGPXOCNLYMTK-LLVKDONJSA-N 2 2 265.361 0.343 10 0 CCAELP CC(C)Oc1cncc(N2CC[N@@H+](C)C[C@H]2C[NH3+])n1 ZINC000250590272 352506293 /nfs/dbraw/zinc/50/62/93/352506293.db2.gz RKVGPXOCNLYMTK-LLVKDONJSA-N 2 2 265.361 0.343 10 0 CCAELP Cc1nc(N2CCC[C@@H]2C(=O)N2CC[NH+](C)CC2)cc[nH+]1 ZINC000408241652 357988369 /nfs/dbraw/zinc/98/83/69/357988369.db2.gz YSJUVHHCKRAPRU-CYBMUJFWSA-N 2 2 289.383 0.528 10 0 CCAELP Cc1cc(NC(=O)C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)on1 ZINC000631840484 370705769 /nfs/dbraw/zinc/70/57/69/370705769.db2.gz CLUXDKLLUAJZTB-WPRPVWTQSA-N 2 2 252.318 0.448 10 0 CCAELP Cc1cc(NC(=O)C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)on1 ZINC000631840484 370705774 /nfs/dbraw/zinc/70/57/74/370705774.db2.gz CLUXDKLLUAJZTB-WPRPVWTQSA-N 2 2 252.318 0.448 10 0 CCAELP CO[C@@H]1C[N@H+](CCN2CCCC2=O)[C@](C)(C[NH3+])C1 ZINC000630366699 370067631 /nfs/dbraw/zinc/06/76/31/370067631.db2.gz YOIDYOCDJIVNFX-AAEUAGOBSA-N 2 2 255.362 0.047 10 0 CCAELP CO[C@@H]1C[N@@H+](CCN2CCCC2=O)[C@](C)(C[NH3+])C1 ZINC000630366699 370067633 /nfs/dbraw/zinc/06/76/33/370067633.db2.gz YOIDYOCDJIVNFX-AAEUAGOBSA-N 2 2 255.362 0.047 10 0 CCAELP C[NH2+]CCOCCNc1[nH+]cnc2c1cnn2C ZINC000630527175 370147418 /nfs/dbraw/zinc/14/74/18/370147418.db2.gz JVGNEGGZVNFRHL-UHFFFAOYSA-N 2 2 250.306 0.011 10 0 CCAELP [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000333311580 205207638 /nfs/dbraw/zinc/20/76/38/205207638.db2.gz RXHVTOBHZABUGQ-ILXRZTDVSA-N 2 2 295.427 0.731 10 0 CCAELP [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000333311580 205207642 /nfs/dbraw/zinc/20/76/42/205207642.db2.gz RXHVTOBHZABUGQ-ILXRZTDVSA-N 2 2 295.427 0.731 10 0 CCAELP C[C@@H]1C[NH2+]CCN1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000333359887 205253813 /nfs/dbraw/zinc/25/38/13/205253813.db2.gz KXANJQPJVDRQMG-OLZOCXBDSA-N 2 2 289.383 0.664 10 0 CCAELP OC[C@H]1CCCN1c1cc(N[C@@H]2CCC[NH2+]C2)nc[nH+]1 ZINC000333499395 205377949 /nfs/dbraw/zinc/37/79/49/205377949.db2.gz HQKJAPBDRCJPGC-VXGBXAGGSA-N 2 2 277.372 0.602 10 0 CCAELP CC(C)CC[C@@H]([NH3+])C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000638075079 374630085 /nfs/dbraw/zinc/63/00/85/374630085.db2.gz QGJWOKIUAZKNDL-ZIAGYGMSSA-N 2 2 283.416 0.683 10 0 CCAELP CN(C(=O)c1n[nH]c2c1C[NH2+]CC2)[C@H]1CCC[N@H+](C)C1 ZINC000188919355 388945174 /nfs/dbraw/zinc/94/51/74/388945174.db2.gz SLRBDEYHXYTRNJ-JTQLQIEISA-N 2 2 277.372 0.222 10 0 CCAELP CCN(CCC[NH+](C)C)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000189366594 388956994 /nfs/dbraw/zinc/95/69/94/388956994.db2.gz FDFHKSHDBWANRM-CYBMUJFWSA-N 2 2 286.420 0.300 10 0 CCAELP CCN(CCC[NH+](C)C)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000189366594 388956996 /nfs/dbraw/zinc/95/69/96/388956996.db2.gz FDFHKSHDBWANRM-CYBMUJFWSA-N 2 2 286.420 0.300 10 0 CCAELP C[N@@H+]1CCN(c2ncc(Br)cn2)[C@H](C[NH3+])C1 ZINC000087613826 389010921 /nfs/dbraw/zinc/01/09/21/389010921.db2.gz RNTUZACBPQYSFK-SECBINFHSA-N 2 2 286.177 0.318 10 0 CCAELP C[N@H+]1CCN(c2ncc(Br)cn2)[C@H](C[NH3+])C1 ZINC000087613826 389010923 /nfs/dbraw/zinc/01/09/23/389010923.db2.gz RNTUZACBPQYSFK-SECBINFHSA-N 2 2 286.177 0.318 10 0 CCAELP C[C@@H](C[NH+]1CCCCC1)NC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000105129588 389085544 /nfs/dbraw/zinc/08/55/44/389085544.db2.gz OPALQYYDOWMSKR-KBPBESRZSA-N 2 2 298.431 0.491 10 0 CCAELP C[C@@H](C[NH+]1CCCCC1)NC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000105129588 389085547 /nfs/dbraw/zinc/08/55/47/389085547.db2.gz OPALQYYDOWMSKR-KBPBESRZSA-N 2 2 298.431 0.491 10 0 CCAELP C[C@H](C[NH3+])[NH2+]C1CN(C(=O)OCc2ccccc2)C1 ZINC000307721582 389091615 /nfs/dbraw/zinc/09/16/15/389091615.db2.gz WWWDMXNJGROTHL-LLVKDONJSA-N 2 2 263.341 0.944 10 0 CCAELP C[NH+]1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)CC1 ZINC000093193464 389035272 /nfs/dbraw/zinc/03/52/72/389035272.db2.gz GCSXUQYHMTUQFL-CQSZACIVSA-N 2 2 291.399 0.711 10 0 CCAELP C[NH+]1CCN(C(=O)C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)CC1 ZINC000093193464 389035279 /nfs/dbraw/zinc/03/52/79/389035279.db2.gz GCSXUQYHMTUQFL-CQSZACIVSA-N 2 2 291.399 0.711 10 0 CCAELP CCC[C@@H](C(=O)N[C@@H](C)C[NH+]1CCOCC1)[NH+](C)C ZINC000136033143 389263453 /nfs/dbraw/zinc/26/34/53/389263453.db2.gz KZSRBYCNXCSVSG-STQMWFEESA-N 2 2 271.405 0.554 10 0 CCAELP Cn1cccc1C[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000161766808 389409508 /nfs/dbraw/zinc/40/95/08/389409508.db2.gz QZOXXZHUKGPXEN-AWEZNQCLSA-N 2 2 251.374 0.962 10 0 CCAELP C[C@@H](C(=O)NC[C@@H]1C[N@@H+](C)CCO1)[NH+]1CCCCCC1 ZINC000175795017 389547268 /nfs/dbraw/zinc/54/72/68/389547268.db2.gz CLPPWQVVWBWLLA-UONOGXRCSA-N 2 2 283.416 0.698 10 0 CCAELP c1cn(CCC[N@@H+]2CC[C@H](N3CCOCC3)C2)c[nH+]1 ZINC000182799251 389716756 /nfs/dbraw/zinc/71/67/56/389716756.db2.gz IZJDEYMHIQJZGP-AWEZNQCLSA-N 2 2 264.373 0.680 10 0 CCAELP c1cn(CCC[N@H+]2CC[C@H](N3CCOCC3)C2)c[nH+]1 ZINC000182799251 389716760 /nfs/dbraw/zinc/71/67/60/389716760.db2.gz IZJDEYMHIQJZGP-AWEZNQCLSA-N 2 2 264.373 0.680 10 0 CCAELP CN(C[C@H]1CC[N@H+](C)C1)C(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000375431959 389676237 /nfs/dbraw/zinc/67/62/37/389676237.db2.gz VGDJAFQNNXTQQZ-VHSXEESVSA-N 2 2 261.316 0.394 10 0 CCAELP CN(C[C@H]1CC[N@@H+](C)C1)C(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000375431959 389676242 /nfs/dbraw/zinc/67/62/42/389676242.db2.gz VGDJAFQNNXTQQZ-VHSXEESVSA-N 2 2 261.316 0.394 10 0 CCAELP COCC[N@H+](C)C[C@H](O)C[NH+]1CCO[C@H]2CCCC[C@H]21 ZINC000380561019 389764096 /nfs/dbraw/zinc/76/40/96/389764096.db2.gz RKNBAULIMGYMHK-ZNMIVQPWSA-N 2 2 286.416 0.569 10 0 CCAELP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCO[C@H]2CCCC[C@H]21 ZINC000380561019 389764099 /nfs/dbraw/zinc/76/40/99/389764099.db2.gz RKNBAULIMGYMHK-ZNMIVQPWSA-N 2 2 286.416 0.569 10 0 CCAELP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000380561019 389764101 /nfs/dbraw/zinc/76/41/01/389764101.db2.gz RKNBAULIMGYMHK-ZNMIVQPWSA-N 2 2 286.416 0.569 10 0 CCAELP COCC[NH+](C)C[C@H](O)C[N@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000380561019 389764103 /nfs/dbraw/zinc/76/41/03/389764103.db2.gz RKNBAULIMGYMHK-ZNMIVQPWSA-N 2 2 286.416 0.569 10 0 CCAELP c1cnn(C[C@@H]2C[N@H+](CCCn3cc[nH+]c3)CCO2)c1 ZINC000183175948 389726558 /nfs/dbraw/zinc/72/65/58/389726558.db2.gz SGDGUYFBVFHQAC-AWEZNQCLSA-N 2 2 275.356 0.871 10 0 CCAELP c1cnn(C[C@@H]2C[N@@H+](CCCn3cc[nH+]c3)CCO2)c1 ZINC000183175948 389726562 /nfs/dbraw/zinc/72/65/62/389726562.db2.gz SGDGUYFBVFHQAC-AWEZNQCLSA-N 2 2 275.356 0.871 10 0 CCAELP c1cnn(C[C@H]2C[N@H+](CCCn3cc[nH+]c3)CCO2)c1 ZINC000183175967 389726656 /nfs/dbraw/zinc/72/66/56/389726656.db2.gz SGDGUYFBVFHQAC-CQSZACIVSA-N 2 2 275.356 0.871 10 0 CCAELP c1cnn(C[C@H]2C[N@@H+](CCCn3cc[nH+]c3)CCO2)c1 ZINC000183175967 389726660 /nfs/dbraw/zinc/72/66/60/389726660.db2.gz SGDGUYFBVFHQAC-CQSZACIVSA-N 2 2 275.356 0.871 10 0 CCAELP C[C@H](C[NH2+]C[C@@H](O)C(C)(C)C)C[NH+]1CCOCC1 ZINC000644571869 390256286 /nfs/dbraw/zinc/25/62/86/390256286.db2.gz CGURAFXOCZBZBR-CHWSQXEVSA-N 2 2 258.406 0.951 10 0 CCAELP COC[C@]1(C(=O)N[C@@H](C)Cn2cc[nH+]c2)CCC[NH2+]1 ZINC000649299605 390560234 /nfs/dbraw/zinc/56/02/34/390560234.db2.gz BJFNSEFFOAYHEQ-AAEUAGOBSA-N 2 2 266.345 0.156 10 0 CCAELP C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000577954422 390855315 /nfs/dbraw/zinc/85/53/15/390855315.db2.gz GBRRUBAFFCYSBY-VHSXEESVSA-N 2 2 261.316 0.442 10 0 CCAELP C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000577954422 390855317 /nfs/dbraw/zinc/85/53/17/390855317.db2.gz GBRRUBAFFCYSBY-VHSXEESVSA-N 2 2 261.316 0.442 10 0 CCAELP C[NH+]1CCN(S(=O)(=O)c2ccc(F)c(C[NH3+])c2)CC1 ZINC000020189107 171054303 /nfs/dbraw/zinc/05/43/03/171054303.db2.gz BFIYCMWCEPXYCH-UHFFFAOYSA-N 2 2 287.360 0.221 10 0 CCAELP CN(C)c1nc[nH+]c(NCCC[NH+]2CCOCC2)c1N ZINC000040723454 174385909 /nfs/dbraw/zinc/38/59/09/174385909.db2.gz WVBDHCXIEBXWEW-UHFFFAOYSA-N 2 2 280.376 0.259 10 0 CCAELP CN(C)c1[nH+]cnc(NCCC[NH+]2CCOCC2)c1N ZINC000040723454 174385910 /nfs/dbraw/zinc/38/59/10/174385910.db2.gz WVBDHCXIEBXWEW-UHFFFAOYSA-N 2 2 280.376 0.259 10 0 CCAELP [NH3+]C1(C(=O)N2CCn3cc[nH+]c3C2)CC2(CCC2)C1 ZINC000662709303 414744665 /nfs/dbraw/zinc/74/46/65/414744665.db2.gz ANNZSMPVGAWSFY-UHFFFAOYSA-N 2 2 260.341 0.887 10 0 CCAELP CCOC(=O)C1CC[NH+]([C@H]2COC[C@H]2C[NH+](C)C)CC1 ZINC000725273737 545888999 /nfs/dbraw/zinc/88/89/99/545888999.db2.gz YPQOGCRYYJJSEX-KGLIPLIRSA-N 2 2 284.400 0.838 10 0 CCAELP CCOC(=O)C1CC[NH+]([C@@H]2COC[C@H]2C[NH+](C)C)CC1 ZINC000725273739 545889023 /nfs/dbraw/zinc/88/90/23/545889023.db2.gz YPQOGCRYYJJSEX-ZIAGYGMSSA-N 2 2 284.400 0.838 10 0 CCAELP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089451696 544512780 /nfs/dbraw/zinc/51/27/80/544512780.db2.gz PZUKFHATROOLNG-UPJWGTAASA-N 2 2 269.389 0.198 10 0 CCAELP C[C@@H]1C[C@@H]1NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000179310671 544751859 /nfs/dbraw/zinc/75/18/59/544751859.db2.gz ZGBYVEHFFVOYBC-YPMHNXCESA-N 2 2 268.405 0.720 10 0 CCAELP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000333826151 545043435 /nfs/dbraw/zinc/04/34/35/545043435.db2.gz LQFBCCCVYWWCJO-XDQVBPFNSA-N 2 2 296.415 0.241 10 0 CCAELP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000333826151 545043436 /nfs/dbraw/zinc/04/34/36/545043436.db2.gz LQFBCCCVYWWCJO-XDQVBPFNSA-N 2 2 296.415 0.241 10 0 CCAELP C[C@H]1CN(C(=O)NCc2ccn3cc[nH+]c3c2)C[C@H]1[NH3+] ZINC000333676287 545041799 /nfs/dbraw/zinc/04/17/99/545041799.db2.gz YZUNZQGAZKUBGA-CMPLNLGQSA-N 2 2 273.340 0.823 10 0 CCAELP CC[C@@H](C(=O)N1CC[C@H]([NH+]2CCOCC2)C1)[NH+](C)C ZINC000162027493 276515001 /nfs/dbraw/zinc/51/50/01/276515001.db2.gz VMGXKQKYUFEMGI-STQMWFEESA-N 2 2 269.389 0.260 10 0 CCAELP C[N@@H+]1CCO[C@H]2CN(c3nc[nH+]c(N)c3Cl)C[C@H]21 ZINC000408394373 277132313 /nfs/dbraw/zinc/13/23/13/277132313.db2.gz PRJMSNQIBAGTHY-SFYZADRCSA-N 2 2 269.736 0.231 10 0 CCAELP C[N@H+]1CCO[C@H]2CN(c3nc[nH+]c(N)c3Cl)C[C@H]21 ZINC000408394373 277132316 /nfs/dbraw/zinc/13/23/16/277132316.db2.gz PRJMSNQIBAGTHY-SFYZADRCSA-N 2 2 269.736 0.231 10 0 CCAELP COCC[N@@H+]1CCN(CC[NH+]2CCO[C@H](C)C2)C[C@@H]1C ZINC000191484142 277225230 /nfs/dbraw/zinc/22/52/30/277225230.db2.gz WXDXUBYCDHTSAP-LSDHHAIUSA-N 2 2 285.432 0.360 10 0 CCAELP COCC[N@H+]1CCN(CC[NH+]2CCO[C@H](C)C2)C[C@@H]1C ZINC000191484142 277225232 /nfs/dbraw/zinc/22/52/32/277225232.db2.gz WXDXUBYCDHTSAP-LSDHHAIUSA-N 2 2 285.432 0.360 10 0 CCAELP COCC[NH+]1CCN(CC[N@@H+]2CCO[C@H](C)C2)C[C@@H]1C ZINC000191484142 277225233 /nfs/dbraw/zinc/22/52/33/277225233.db2.gz WXDXUBYCDHTSAP-LSDHHAIUSA-N 2 2 285.432 0.360 10 0 CCAELP COCC[NH+]1CCN(CC[N@H+]2CCO[C@H](C)C2)C[C@@H]1C ZINC000191484142 277225235 /nfs/dbraw/zinc/22/52/35/277225235.db2.gz WXDXUBYCDHTSAP-LSDHHAIUSA-N 2 2 285.432 0.360 10 0 CCAELP C[C@@H]1C[C@H](NC[C@@H]2C[NH+](C)CCO2)C[N@@H+]1C1CC1 ZINC000119265800 278026518 /nfs/dbraw/zinc/02/65/18/278026518.db2.gz ZQDNAOKLOPUQGR-MBNYWOFBSA-N 2 2 253.390 0.532 10 0 CCAELP C[C@@H]1C[C@H](NC[C@@H]2C[NH+](C)CCO2)C[N@H+]1C1CC1 ZINC000119265800 278026520 /nfs/dbraw/zinc/02/65/20/278026520.db2.gz ZQDNAOKLOPUQGR-MBNYWOFBSA-N 2 2 253.390 0.532 10 0 CCAELP C[C@@H]1C[C@H](NC[C@@H]2C[N@H+](C)CCO2)C[NH+]1C1CC1 ZINC000119265800 278026521 /nfs/dbraw/zinc/02/65/21/278026521.db2.gz ZQDNAOKLOPUQGR-MBNYWOFBSA-N 2 2 253.390 0.532 10 0 CCAELP C[C@@H]1C[C@H](NC[C@@H]2C[N@@H+](C)CCO2)C[NH+]1C1CC1 ZINC000119265800 278026523 /nfs/dbraw/zinc/02/65/23/278026523.db2.gz ZQDNAOKLOPUQGR-MBNYWOFBSA-N 2 2 253.390 0.532 10 0 CCAELP C[C@]1(F)C[NH2+]CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000336221965 280163260 /nfs/dbraw/zinc/16/32/60/280163260.db2.gz OVDPOIDTDAHYBA-SCZZXKLOSA-N 2 2 265.279 0.144 10 0 CCAELP CC[C@]1(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)CCC[NH2+]1 ZINC000122116998 281300999 /nfs/dbraw/zinc/30/09/99/281300999.db2.gz CNZJDNRXTTXLDE-DZGCQCFKSA-N 2 2 281.400 0.452 10 0 CCAELP [NH3+]C1(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)CCCC1 ZINC000062976820 295201830 /nfs/dbraw/zinc/20/18/30/295201830.db2.gz LJAPZOVIBDEQIW-GFCCVEGCSA-N 2 2 267.373 0.191 10 0 CCAELP COCC[N@H+](C)C[C@H](O)C[NH+]1CCS[C@@H](C)C1 ZINC000383566609 336114267 /nfs/dbraw/zinc/11/42/67/336114267.db2.gz JFYIGLXDCUGEJK-RYUDHWBXSA-N 2 2 262.419 0.363 10 0 CCAELP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCS[C@@H](C)C1 ZINC000383566609 336114268 /nfs/dbraw/zinc/11/42/68/336114268.db2.gz JFYIGLXDCUGEJK-RYUDHWBXSA-N 2 2 262.419 0.363 10 0 CCAELP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCS[C@@H](C)C1 ZINC000383566609 336114270 /nfs/dbraw/zinc/11/42/70/336114270.db2.gz JFYIGLXDCUGEJK-RYUDHWBXSA-N 2 2 262.419 0.363 10 0 CCAELP COCC[NH+](C)C[C@H](O)C[N@H+]1CCS[C@@H](C)C1 ZINC000383566609 336114271 /nfs/dbraw/zinc/11/42/71/336114271.db2.gz JFYIGLXDCUGEJK-RYUDHWBXSA-N 2 2 262.419 0.363 10 0 CCAELP CN[C@H](CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)OC ZINC000062443288 522459371 /nfs/dbraw/zinc/45/93/71/522459371.db2.gz ZWHGUAWAJWVELT-GFCCVEGCSA-N 2 2 257.378 0.164 10 0 CCAELP CN[C@H](CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)OC ZINC000062443288 522459378 /nfs/dbraw/zinc/45/93/78/522459378.db2.gz ZWHGUAWAJWVELT-GFCCVEGCSA-N 2 2 257.378 0.164 10 0 CCAELP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccnn1C ZINC000192721519 533901184 /nfs/dbraw/zinc/90/11/84/533901184.db2.gz HQTUHHIPZRRBOP-STQMWFEESA-N 2 2 266.389 0.918 10 0 CCAELP CC(C)COC[C@H](O)C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]12 ZINC000049567509 519758783 /nfs/dbraw/zinc/75/87/83/519758783.db2.gz MNJJRBVUNWMJJV-HZSPNIEDSA-N 2 2 256.390 0.846 10 0 CCAELP CC(C)COC[C@H](O)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]12 ZINC000049567509 519758785 /nfs/dbraw/zinc/75/87/85/519758785.db2.gz MNJJRBVUNWMJJV-HZSPNIEDSA-N 2 2 256.390 0.846 10 0 CCAELP CCOC(=O)[C@@H]([NH3+])CCN(CC[NH+](C)C)CC(C)C ZINC000062456463 521069549 /nfs/dbraw/zinc/06/95/49/521069549.db2.gz QBADDPLIWCXMBJ-ZDUSSCGKSA-N 2 2 273.421 0.787 10 0 CCAELP [NH3+]CCC[N@@H+](CC(=O)NCC(F)(F)F)C1CC1 ZINC000049309666 527179041 /nfs/dbraw/zinc/17/90/41/527179041.db2.gz OPNFSCJQZBGQCA-UHFFFAOYSA-N 2 2 253.268 0.478 10 0 CCAELP [NH3+]CCC[N@H+](CC(=O)NCC(F)(F)F)C1CC1 ZINC000049309666 527179035 /nfs/dbraw/zinc/17/90/35/527179035.db2.gz OPNFSCJQZBGQCA-UHFFFAOYSA-N 2 2 253.268 0.478 10 0 CCAELP Cc1cnc(C[NH2+]C2CC[NH+](CCO)CC2)s1 ZINC000399128984 581208010 /nfs/dbraw/zinc/20/80/10/581208010.db2.gz MCOMAMKNKXLIIO-UHFFFAOYSA-N 2 2 255.387 0.998 10 0 CCAELP Cc1cc(N2CC[C@H]([NH+]3CCOCC3)C2)nc(N)[nH+]1 ZINC000089710396 624823280 /nfs/dbraw/zinc/82/32/80/624823280.db2.gz ZOYLNITYOIZHDW-NSHDSACASA-N 2 2 263.345 0.278 10 0 CCAELP C[N@@H+]1CCO[C@@H](CNC(=O)CC[NH2+]C(C)(C)C)C1 ZINC000091669202 649708616 /nfs/dbraw/zinc/70/86/16/649708616.db2.gz KJGUNVRUAXYGFO-NSHDSACASA-N 2 2 257.378 0.211 10 0 CCAELP C[N@H+]1CCO[C@@H](CNC(=O)CC[NH2+]C(C)(C)C)C1 ZINC000091669202 649708617 /nfs/dbraw/zinc/70/86/17/649708617.db2.gz KJGUNVRUAXYGFO-NSHDSACASA-N 2 2 257.378 0.211 10 0 CCAELP C[N@@H+]1CCO[C@H](CNC(=O)c2ccccc2CC[NH3+])C1 ZINC000091669244 349472780 /nfs/dbraw/zinc/47/27/80/349472780.db2.gz ZCMPJVUFNBBRIB-CYBMUJFWSA-N 2 2 277.368 0.248 10 0 CCAELP C[N@H+]1CCO[C@H](CNC(=O)c2ccccc2CC[NH3+])C1 ZINC000091669244 349472782 /nfs/dbraw/zinc/47/27/82/349472782.db2.gz ZCMPJVUFNBBRIB-CYBMUJFWSA-N 2 2 277.368 0.248 10 0 CCAELP C[C@H](CNC(=O)CC1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000164913329 136842621 /nfs/dbraw/zinc/84/26/21/136842621.db2.gz RZUBYTBLOJYORU-GFCCVEGCSA-N 2 2 269.389 0.213 10 0 CCAELP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)CC1 ZINC000250362840 137001240 /nfs/dbraw/zinc/00/12/40/137001240.db2.gz DKTHRJHOSJVNSZ-GOEBONIOSA-N 2 2 295.427 0.387 10 0 CCAELP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@]3(O)CCCC[C@H]3C2)CC1 ZINC000250362840 137001241 /nfs/dbraw/zinc/00/12/41/137001241.db2.gz DKTHRJHOSJVNSZ-GOEBONIOSA-N 2 2 295.427 0.387 10 0 CCAELP CC1(C)C[N@H+](CC(=O)NC2CCOCC2)CC[C@H]1[NH3+] ZINC000261576918 137009627 /nfs/dbraw/zinc/00/96/27/137009627.db2.gz CLDYCTWBNXVAFB-GFCCVEGCSA-N 2 2 269.389 0.341 10 0 CCAELP CC1(C)C[N@@H+](CC(=O)NC2CCOCC2)CC[C@H]1[NH3+] ZINC000261576918 137009628 /nfs/dbraw/zinc/00/96/28/137009628.db2.gz CLDYCTWBNXVAFB-GFCCVEGCSA-N 2 2 269.389 0.341 10 0 CCAELP C[C@@]1(C[NH+]2CCN(Cc3ccon3)CC2)CC[NH2+]C1 ZINC000261742033 137017565 /nfs/dbraw/zinc/01/75/65/137017565.db2.gz INAOCWOPPQSRLO-CQSZACIVSA-N 2 2 264.373 0.792 10 0 CCAELP C[C@@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])[C@H](C)[NH+]1CCOCC1 ZINC000261761047 137018760 /nfs/dbraw/zinc/01/87/60/137018760.db2.gz NMAIMQKWFRPGCP-XJFOESAGSA-N 2 2 283.416 0.587 10 0 CCAELP C[C@H](C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)[NH+]1CCOCC1 ZINC000261828893 137021600 /nfs/dbraw/zinc/02/16/00/137021600.db2.gz OQLUWMZJLVFDGH-MCIONIFRSA-N 2 2 281.400 0.165 10 0 CCAELP CC[C@H](C[NH3+])N1CC[NH+](CCOCC(F)(F)F)CC1 ZINC000104056998 185887654 /nfs/dbraw/zinc/88/76/54/185887654.db2.gz ACRITNWOVLLOLD-LLVKDONJSA-N 2 2 283.338 0.920 10 0 CCAELP NC(=O)C[NH+]1CCC(Nc2[nH]c3ccccc3[nH+]2)CC1 ZINC000038007303 348222827 /nfs/dbraw/zinc/22/28/27/348222827.db2.gz KPUQAJCMHSXLTO-UHFFFAOYSA-N 2 2 273.340 0.925 10 0 CCAELP O=C(CNc1[nH]c2ccccc2[nH+]1)N1CC[NH2+]CC1 ZINC000037757018 348200843 /nfs/dbraw/zinc/20/08/43/348200843.db2.gz HHMUZTLJTHSBHJ-UHFFFAOYSA-N 2 2 259.313 0.407 10 0 CCAELP Cc1c(F)cccc1NC(=O)C[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000065408250 348714507 /nfs/dbraw/zinc/71/45/07/348714507.db2.gz HAGAKLBQESSKEZ-NSHDSACASA-N 2 2 281.331 0.651 10 0 CCAELP C[C@H](C(=O)Nc1c[nH+]c2n1CCCC2)N1CC[NH+](C)CC1 ZINC000067673178 348781602 /nfs/dbraw/zinc/78/16/02/348781602.db2.gz VJFDAUYCZZBGBG-GFCCVEGCSA-N 2 2 291.399 0.794 10 0 CCAELP CC(C)[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1=O ZINC000071032980 348902646 /nfs/dbraw/zinc/90/26/46/348902646.db2.gz ZEQKZSQBBNWOSS-CYBMUJFWSA-N 2 2 269.389 0.308 10 0 CCAELP C[N@@H+]1CCN(c2nccc(C(F)(F)F)n2)[C@H](C[NH3+])C1 ZINC000122813826 350070312 /nfs/dbraw/zinc/07/03/12/350070312.db2.gz SWRXZRVNGBZCRY-MRVPVSSYSA-N 2 2 275.278 0.575 10 0 CCAELP C[N@H+]1CCN(c2nccc(C(F)(F)F)n2)[C@H](C[NH3+])C1 ZINC000122813826 350070317 /nfs/dbraw/zinc/07/03/17/350070317.db2.gz SWRXZRVNGBZCRY-MRVPVSSYSA-N 2 2 275.278 0.575 10 0 CCAELP CC(C)(C)OC(=O)N1C[C@H]2C[NH+](CC[NH3+])C[C@@H]2C1 ZINC000144219824 350462788 /nfs/dbraw/zinc/46/27/88/350462788.db2.gz UHXAAMHNYFEJBS-GHMZBOCLSA-N 2 2 255.362 0.744 10 0 CCAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)NC(=O)NC)C1 ZINC000105896320 186085176 /nfs/dbraw/zinc/08/51/76/186085176.db2.gz VGSFINJCJIMFTQ-LLVKDONJSA-N 2 2 293.371 0.538 10 0 CCAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)NC(=O)NC)C1 ZINC000105896320 186085177 /nfs/dbraw/zinc/08/51/77/186085177.db2.gz VGSFINJCJIMFTQ-LLVKDONJSA-N 2 2 293.371 0.538 10 0 CCAELP CS(=O)(=O)NCC[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000107300336 186168463 /nfs/dbraw/zinc/16/84/63/186168463.db2.gz ZIYOIGNSGPAVMQ-LBPRGKRZSA-N 2 2 298.412 0.365 10 0 CCAELP CS(=O)(=O)NCC[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000107300336 186168465 /nfs/dbraw/zinc/16/84/65/186168465.db2.gz ZIYOIGNSGPAVMQ-LBPRGKRZSA-N 2 2 298.412 0.365 10 0 CCAELP CCCNC(=O)C[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174895911 351109138 /nfs/dbraw/zinc/10/91/38/351109138.db2.gz GMRZSZAASCPZHI-HNNXBMFYSA-N 2 2 296.459 0.615 10 0 CCAELP CCCNC(=O)C[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174895911 351109145 /nfs/dbraw/zinc/10/91/45/351109145.db2.gz GMRZSZAASCPZHI-HNNXBMFYSA-N 2 2 296.459 0.615 10 0 CCAELP CCCCOCCNC(=O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193608130 351835081 /nfs/dbraw/zinc/83/50/81/351835081.db2.gz WLOHPSDUEAJZIQ-OKILXGFUSA-N 2 2 283.416 0.413 10 0 CCAELP CCCCOCCNC(=O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193608130 351835082 /nfs/dbraw/zinc/83/50/82/351835082.db2.gz WLOHPSDUEAJZIQ-OKILXGFUSA-N 2 2 283.416 0.413 10 0 CCAELP CCCCOCCNC(=O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193608130 351835085 /nfs/dbraw/zinc/83/50/85/351835085.db2.gz WLOHPSDUEAJZIQ-OKILXGFUSA-N 2 2 283.416 0.413 10 0 CCAELP CCCCOCCNC(=O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193608130 351835087 /nfs/dbraw/zinc/83/50/87/351835087.db2.gz WLOHPSDUEAJZIQ-OKILXGFUSA-N 2 2 283.416 0.413 10 0 CCAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1nnn(C)n1 ZINC000194447064 351871261 /nfs/dbraw/zinc/87/12/61/351871261.db2.gz FSZQVGDGPBLZSN-LLVKDONJSA-N 2 2 261.333 0.380 10 0 CCAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1nnn(C)n1 ZINC000194447064 351871264 /nfs/dbraw/zinc/87/12/64/351871264.db2.gz FSZQVGDGPBLZSN-LLVKDONJSA-N 2 2 261.333 0.380 10 0 CCAELP CC[C@H]1CN(CCn2cc[nH+]c2)CC[N@@H+]1C[C@H](C)O ZINC000245578108 352329554 /nfs/dbraw/zinc/32/95/54/352329554.db2.gz BNMAIDVOWBFLQG-KBPBESRZSA-N 2 2 266.389 0.660 10 0 CCAELP CC[C@H]1CN(CCn2cc[nH+]c2)CC[N@H+]1C[C@H](C)O ZINC000245578108 352329555 /nfs/dbraw/zinc/32/95/55/352329555.db2.gz BNMAIDVOWBFLQG-KBPBESRZSA-N 2 2 266.389 0.660 10 0 CCAELP CC[C@@H]1CN(CCn2cc[nH+]c2)CC[N@@H+]1C[C@H](C)O ZINC000245578113 352329950 /nfs/dbraw/zinc/32/99/50/352329950.db2.gz BNMAIDVOWBFLQG-UONOGXRCSA-N 2 2 266.389 0.660 10 0 CCAELP CC[C@@H]1CN(CCn2cc[nH+]c2)CC[N@H+]1C[C@H](C)O ZINC000245578113 352329955 /nfs/dbraw/zinc/32/99/55/352329955.db2.gz BNMAIDVOWBFLQG-UONOGXRCSA-N 2 2 266.389 0.660 10 0 CCAELP CC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@H]2C[NH+](C)CCO2)C1 ZINC000246885433 352387118 /nfs/dbraw/zinc/38/71/18/352387118.db2.gz CZECSVFNDOSCCS-KGLIPLIRSA-N 2 2 298.431 0.300 10 0 CCAELP CC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@H]2C[NH+](C)CCO2)C1 ZINC000246885433 352387120 /nfs/dbraw/zinc/38/71/20/352387120.db2.gz CZECSVFNDOSCCS-KGLIPLIRSA-N 2 2 298.431 0.300 10 0 CCAELP CC[NH+](C)C[C@H]1CCN(C(=O)NC[C@H]2C[N@H+](C)CCO2)C1 ZINC000246885433 352387122 /nfs/dbraw/zinc/38/71/22/352387122.db2.gz CZECSVFNDOSCCS-KGLIPLIRSA-N 2 2 298.431 0.300 10 0 CCAELP CC[NH+](C)C[C@H]1CCN(C(=O)NC[C@H]2C[N@@H+](C)CCO2)C1 ZINC000246885433 352387125 /nfs/dbraw/zinc/38/71/25/352387125.db2.gz CZECSVFNDOSCCS-KGLIPLIRSA-N 2 2 298.431 0.300 10 0 CCAELP CC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000247478337 352417042 /nfs/dbraw/zinc/41/70/42/352417042.db2.gz IWKJQSLGNBYNPQ-KBPBESRZSA-N 2 2 298.431 0.491 10 0 CCAELP CC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000247478337 352417045 /nfs/dbraw/zinc/41/70/45/352417045.db2.gz IWKJQSLGNBYNPQ-KBPBESRZSA-N 2 2 298.431 0.491 10 0 CCAELP CC[NH+]1CCCC[C@H]1CNC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000247478337 352417050 /nfs/dbraw/zinc/41/70/50/352417050.db2.gz IWKJQSLGNBYNPQ-KBPBESRZSA-N 2 2 298.431 0.491 10 0 CCAELP CC[NH+]1CCCC[C@H]1CNC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000247478337 352417052 /nfs/dbraw/zinc/41/70/52/352417052.db2.gz IWKJQSLGNBYNPQ-KBPBESRZSA-N 2 2 298.431 0.491 10 0 CCAELP C[C@H]1C[N@H+](CCN2CC[NH+]3CCC[C@H]3C2)CCO1 ZINC000248650251 352452266 /nfs/dbraw/zinc/45/22/66/352452266.db2.gz LXCSKUNCHUSAKG-KBPBESRZSA-N 2 2 253.390 0.487 10 0 CCAELP C[C@H]1C[N@@H+](CCN2CC[NH+]3CCC[C@H]3C2)CCO1 ZINC000248650251 352452268 /nfs/dbraw/zinc/45/22/68/352452268.db2.gz LXCSKUNCHUSAKG-KBPBESRZSA-N 2 2 253.390 0.487 10 0 CCAELP C[C@H]1C[NH+](CCN2CC[N@@H+]3CCC[C@H]3C2)CCO1 ZINC000248650251 352452271 /nfs/dbraw/zinc/45/22/71/352452271.db2.gz LXCSKUNCHUSAKG-KBPBESRZSA-N 2 2 253.390 0.487 10 0 CCAELP C[C@H]1C[NH+](CCN2CC[N@H+]3CCC[C@H]3C2)CCO1 ZINC000248650251 352452273 /nfs/dbraw/zinc/45/22/73/352452273.db2.gz LXCSKUNCHUSAKG-KBPBESRZSA-N 2 2 253.390 0.487 10 0 CCAELP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333788399 354793993 /nfs/dbraw/zinc/79/39/93/354793993.db2.gz MBYGNODHIPCENN-CHWSQXEVSA-N 2 2 284.404 0.148 10 0 CCAELP CC[N@@H+]1CCC[C@@H]1CN(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000336826386 355201575 /nfs/dbraw/zinc/20/15/75/355201575.db2.gz NPIWHFHUGHFEQV-HUUCEWRRSA-N 2 2 285.432 0.096 10 0 CCAELP CC[N@H+]1CCC[C@@H]1CN(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000336826386 355201578 /nfs/dbraw/zinc/20/15/78/355201578.db2.gz NPIWHFHUGHFEQV-HUUCEWRRSA-N 2 2 285.432 0.096 10 0 CCAELP Cc1noc(C)c1C[NH2+]C1CC[NH+](CCO)CC1 ZINC000399219185 357781224 /nfs/dbraw/zinc/78/12/24/357781224.db2.gz BHXJXCCXZJOKTL-UHFFFAOYSA-N 2 2 253.346 0.838 10 0 CCAELP CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000571044248 358906099 /nfs/dbraw/zinc/90/60/99/358906099.db2.gz SBJQSCHWRVZYCE-WDEREUQCSA-N 2 2 275.343 0.830 10 0 CCAELP CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000571044248 358906103 /nfs/dbraw/zinc/90/61/03/358906103.db2.gz SBJQSCHWRVZYCE-WDEREUQCSA-N 2 2 275.343 0.830 10 0 CCAELP C[C@H](CNc1cc[nH+]cc1C(N)=O)[N@@H+]1CCOC[C@H]1C ZINC000302032753 201309771 /nfs/dbraw/zinc/30/97/71/201309771.db2.gz NWUQOMPXJSQXQH-GHMZBOCLSA-N 2 2 278.356 0.702 10 0 CCAELP C[C@H](CNc1cc[nH+]cc1C(N)=O)[N@H+]1CCOC[C@H]1C ZINC000302032753 201309774 /nfs/dbraw/zinc/30/97/74/201309774.db2.gz NWUQOMPXJSQXQH-GHMZBOCLSA-N 2 2 278.356 0.702 10 0 CCAELP Cc1nn(C)c(C)c1NC(=O)C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631839858 370706379 /nfs/dbraw/zinc/70/63/79/370706379.db2.gz LTSXIXRTRMKZKQ-JOYOIKCWSA-N 2 2 279.388 0.502 10 0 CCAELP Cc1nn(C)c(C)c1NC(=O)C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631839858 370706383 /nfs/dbraw/zinc/70/63/83/370706383.db2.gz LTSXIXRTRMKZKQ-JOYOIKCWSA-N 2 2 279.388 0.502 10 0 CCAELP C[C@H]1C[N@H+](CC(=O)NCc2cccs2)C[C@@H]1C[NH3+] ZINC000631842971 370707415 /nfs/dbraw/zinc/70/74/15/370707415.db2.gz IBVNWEWLIRXXNL-QWRGUYRKSA-N 2 2 267.398 0.891 10 0 CCAELP C[C@H]1C[N@@H+](CC(=O)NCc2cccs2)C[C@@H]1C[NH3+] ZINC000631842971 370707422 /nfs/dbraw/zinc/70/74/22/370707422.db2.gz IBVNWEWLIRXXNL-QWRGUYRKSA-N 2 2 267.398 0.891 10 0 CCAELP C[C@H]1[C@H]([NH3+])CCN1C(=O)Cc1cn2ccccc2[nH+]1 ZINC000335504011 212186139 /nfs/dbraw/zinc/18/61/39/212186139.db2.gz FUSXBUQUYRCDLT-CMPLNLGQSA-N 2 2 258.325 0.825 10 0 CCAELP CO[C@H]1CN(C(=O)CCn2cc[nH+]c2)[C@](C)(C[NH3+])C1 ZINC000630370487 370072033 /nfs/dbraw/zinc/07/20/33/370072033.db2.gz FBYMETFWEMSRLF-YPMHNXCESA-N 2 2 266.345 0.238 10 0 CCAELP c1cn([C@@H]2COC[C@@H]2[NH2+]C2CC[NH+](C3CC3)CC2)nn1 ZINC000333247258 205148999 /nfs/dbraw/zinc/14/89/99/205148999.db2.gz FYHYTUZZRLSFCD-UONOGXRCSA-N 2 2 277.372 0.434 10 0 CCAELP C[C@@H]1CN(S(=O)(=O)CCn2cc[nH+]c2)C[C@@H]1[NH+](C)C ZINC000641378395 377049463 /nfs/dbraw/zinc/04/94/63/377049463.db2.gz QYJDKJBNQKVSMK-NEPJUHHUSA-N 2 2 286.401 0.095 10 0 CCAELP Cc1[nH]c(CN[C@@H]2CCC[N@H+](CCO)C2)[nH+]c1C ZINC000657350444 412969927 /nfs/dbraw/zinc/96/99/27/412969927.db2.gz DIQKQARXTKWXTQ-GFCCVEGCSA-N 2 2 252.362 0.573 10 0 CCAELP Cc1[nH]c(CN[C@@H]2CCC[N@@H+](CCO)C2)[nH+]c1C ZINC000657350444 412969933 /nfs/dbraw/zinc/96/99/33/412969933.db2.gz DIQKQARXTKWXTQ-GFCCVEGCSA-N 2 2 252.362 0.573 10 0 CCAELP [NH3+][C@@H]1CC[C@H]2C[N@H+](CN3C(=O)c4ccccc4C3=O)C[C@@H]12 ZINC000307618908 389091762 /nfs/dbraw/zinc/09/17/62/389091762.db2.gz VHTRFDFWKJGUBY-ZLKJLUDKSA-N 2 2 285.347 0.909 10 0 CCAELP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CN3C(=O)c4ccccc4C3=O)C[C@@H]12 ZINC000307618908 389091765 /nfs/dbraw/zinc/09/17/65/389091765.db2.gz VHTRFDFWKJGUBY-ZLKJLUDKSA-N 2 2 285.347 0.909 10 0 CCAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CC(N)=O)C1 ZINC000195286481 389121844 /nfs/dbraw/zinc/12/18/44/389121844.db2.gz ZJRKSJFEUYSPPV-ZDUSSCGKSA-N 2 2 262.357 0.321 10 0 CCAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CC(N)=O)C1 ZINC000195286481 389121846 /nfs/dbraw/zinc/12/18/46/389121846.db2.gz ZJRKSJFEUYSPPV-ZDUSSCGKSA-N 2 2 262.357 0.321 10 0 CCAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC000195286481 389121850 /nfs/dbraw/zinc/12/18/50/389121850.db2.gz ZJRKSJFEUYSPPV-ZDUSSCGKSA-N 2 2 262.357 0.321 10 0 CCAELP Cn1ncc2c1nc[nH+]c2N1CCO[C@@H](C[NH+](C)C)C1 ZINC000171545873 389476512 /nfs/dbraw/zinc/47/65/12/389476512.db2.gz BYYOQMJQJOJCQI-JTQLQIEISA-N 2 2 276.344 0.130 10 0 CCAELP CC(C)[C@H](C(=O)NC[C@H]1C[N@H+](C)CCO1)[C@@H](C)[NH3+] ZINC000399453016 389791514 /nfs/dbraw/zinc/79/15/14/389791514.db2.gz RYVDJJPIIPVEQG-WOPDTQHZSA-N 2 2 257.378 0.053 10 0 CCAELP CC(C)[C@H](C(=O)NC[C@H]1C[N@@H+](C)CCO1)[C@@H](C)[NH3+] ZINC000399453016 389791518 /nfs/dbraw/zinc/79/15/18/389791518.db2.gz RYVDJJPIIPVEQG-WOPDTQHZSA-N 2 2 257.378 0.053 10 0 CCAELP O=C(NCCCn1cc[nH+]c1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000368650932 144237716 /nfs/dbraw/zinc/23/77/16/144237716.db2.gz RHQNFYLPCJAGKT-VIFPVBQESA-N 2 2 258.272 0.387 10 0 CCAELP CC[NH+]1CCN(S(=O)(=O)c2cccc(C[NH3+])c2)CC1 ZINC000022221109 171377821 /nfs/dbraw/zinc/37/78/21/171377821.db2.gz PCYQZZJFDUUYEU-UHFFFAOYSA-N 2 2 283.397 0.472 10 0 CCAELP Cc1cccc([C@@H]([C@H](C)[NH3+])[NH+](CCO)CCO)c1 ZINC000042966795 174930203 /nfs/dbraw/zinc/93/02/03/174930203.db2.gz CVGCWNFORUFXAP-GXTWGEPZSA-N 2 2 252.358 0.670 10 0 CCAELP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2F)C1 ZINC000071146049 176042118 /nfs/dbraw/zinc/04/21/18/176042118.db2.gz CGMIAKFSGYLSAL-JTQLQIEISA-N 2 2 265.332 0.966 10 0 CCAELP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2F)C1 ZINC000071146049 176042119 /nfs/dbraw/zinc/04/21/19/176042119.db2.gz CGMIAKFSGYLSAL-JTQLQIEISA-N 2 2 265.332 0.966 10 0 CCAELP C[N@H+]([C@@H]1C[C@H]([NH3+])C12CCOCC2)C1CC[NH+](C)CC1 ZINC000725264491 545885318 /nfs/dbraw/zinc/88/53/18/545885318.db2.gz QRHUIFRFNNWCOC-UONOGXRCSA-N 3 2 267.417 0.909 10 0 CCAELP C[N@@H+]([C@@H]1C[C@H]([NH3+])C12CCOCC2)C1CC[NH+](C)CC1 ZINC000725264491 545885322 /nfs/dbraw/zinc/88/53/22/545885322.db2.gz QRHUIFRFNNWCOC-UONOGXRCSA-N 3 2 267.417 0.909 10 0 CCAELP CC(C)(CNC(=O)[C@@H]1CCC[C@H]1C[NH3+])[NH+]1CCOCC1 ZINC000089459357 544514993 /nfs/dbraw/zinc/51/49/93/544514993.db2.gz SEWYUGAJVZZPAA-QWHCGFSZSA-N 2 2 283.416 0.588 10 0 CCAELP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC[NH+](C)C)C2 ZINC000163973711 544717573 /nfs/dbraw/zinc/71/75/73/544717573.db2.gz FRJWOLFQUBUSGA-SNVBAGLBSA-N 2 2 250.346 0.501 10 0 CCAELP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)NCC[NH+](C)C)CC2 ZINC000163973711 544717577 /nfs/dbraw/zinc/71/75/77/544717577.db2.gz FRJWOLFQUBUSGA-SNVBAGLBSA-N 2 2 250.346 0.501 10 0 CCAELP C[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])C[C@H]1[NH+]1CCOCC1 ZINC000178860264 544748039 /nfs/dbraw/zinc/74/80/39/544748039.db2.gz BLLQJKJRKUJYBI-YIYPIFLZSA-N 2 2 281.400 0.293 10 0 CCAELP O=C([C@@H]1CC[NH2+]CC1(F)F)N1CC[NH+](C2CC2)CC1 ZINC000335990309 280095373 /nfs/dbraw/zinc/09/53/73/280095373.db2.gz CZVGOFIPBXHENE-NSHDSACASA-N 2 2 273.327 0.538 10 0 CCAELP [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000261737212 295314987 /nfs/dbraw/zinc/31/49/87/295314987.db2.gz LMRKBKNEJIOZPR-MELADBBJSA-N 2 2 281.400 0.437 10 0 CCAELP C[C@H]1CN(C(=O)C2([NH3+])CCCC2)C[C@H]1[NH+]1CCOCC1 ZINC000178860913 300111296 /nfs/dbraw/zinc/11/12/96/300111296.db2.gz OWMVTSAXTISROT-QWHCGFSZSA-N 2 2 281.400 0.437 10 0 CCAELP C(C[NH+]1CCOCC1)N1CC[C@@H](C[NH2+]C2CC2)C1 ZINC000053012443 518388889 /nfs/dbraw/zinc/38/88/89/518388889.db2.gz XDENATBLIFJFFV-ZDUSSCGKSA-N 2 2 253.390 0.393 10 0 CCAELP CC(C)[NH2+][C@@H](CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(N)=O ZINC000062440861 519734050 /nfs/dbraw/zinc/73/40/50/519734050.db2.gz YQFOSQBGAZZFRI-TUAOUCFPSA-N 2 2 257.378 0.338 10 0 CCAELP CC(C)[NH2+][C@@H](CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(N)=O ZINC000062440861 519734051 /nfs/dbraw/zinc/73/40/51/519734051.db2.gz YQFOSQBGAZZFRI-TUAOUCFPSA-N 2 2 257.378 0.338 10 0 CCAELP C(C[N@@H+]1CCC[NH2+]CC1)N1CC[NH+](CC2CC2)CC1 ZINC000061275342 518389897 /nfs/dbraw/zinc/38/98/97/518389897.db2.gz FZMBVSYWXVUKCL-UHFFFAOYSA-N 3 2 266.433 0.309 10 0 CCAELP C(C[N@H+]1CCC[NH2+]CC1)N1CC[NH+](CC2CC2)CC1 ZINC000061275342 518389904 /nfs/dbraw/zinc/38/99/04/518389904.db2.gz FZMBVSYWXVUKCL-UHFFFAOYSA-N 3 2 266.433 0.309 10 0 CCAELP CC[NH2+]C[C@@H]1CC[C@H](CN2CCn3cc[nH+]c3C2)O1 ZINC000062325022 519955564 /nfs/dbraw/zinc/95/55/64/519955564.db2.gz OXZMVAFACXPDPY-QWHCGFSZSA-N 2 2 264.373 0.856 10 0 CCAELP CCC(CC)[C@H](C[NH3+])[NH+]1CCN(CC[NH+](C)C)CC1 ZINC000061643168 521616063 /nfs/dbraw/zinc/61/60/63/521616063.db2.gz VZWRAADWMSTAIS-HNNXBMFYSA-N 3 2 270.465 0.929 10 0 CCAELP C[NH+](C)CCN1CC[NH+](C[C@H]([NH3+])C(C)(C)C)CC1 ZINC000061643923 521765535 /nfs/dbraw/zinc/76/55/35/521765535.db2.gz IITFVGMDYNXXRJ-ZDUSSCGKSA-N 3 2 256.438 0.539 10 0 CCAELP C[NH2+]C(C)(C)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000061318302 521935084 /nfs/dbraw/zinc/93/50/84/521935084.db2.gz DZGNPTATGCONMY-UHFFFAOYSA-N 2 2 257.378 0.211 10 0 CCAELP COC1CC[NH+](CC[C@H]([NH2+]C2CC2)C(N)=O)CC1 ZINC000062447885 522703790 /nfs/dbraw/zinc/70/37/90/522703790.db2.gz LWIWPODDTZHCTD-LBPRGKRZSA-N 2 2 255.362 0.093 10 0 CCAELP CC[C@@H]1CN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)CC[N@@H+]1C ZINC000069051719 523462332 /nfs/dbraw/zinc/46/23/32/523462332.db2.gz FPOMHLFVZNRWIR-VXGBXAGGSA-N 2 2 275.418 0.094 10 0 CCAELP CC[C@@H]1CN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)CC[N@H+]1C ZINC000069051719 523462340 /nfs/dbraw/zinc/46/23/40/523462340.db2.gz FPOMHLFVZNRWIR-VXGBXAGGSA-N 2 2 275.418 0.094 10 0 CCAELP COCC[NH2+]C[C@@H]1CCCN1c1cc[nH+]c(C)n1 ZINC000054937601 523941443 /nfs/dbraw/zinc/94/14/43/523941443.db2.gz KYMBVLKKRCZIIX-LBPRGKRZSA-N 2 2 250.346 0.990 10 0 CCAELP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000055090809 524627594 /nfs/dbraw/zinc/62/75/94/524627594.db2.gz WQHONQCGMVYNOE-AVGNSLFASA-N 2 2 269.389 0.341 10 0 CCAELP CC[C@@H](O)C[NH+]1CCN(c2nc(N)cc(C)[nH+]2)CC1 ZINC000892582487 615541505 /nfs/dbraw/zinc/54/15/05/615541505.db2.gz IYUFXVLBYAIZSN-LLVKDONJSA-N 2 2 265.361 0.260 10 0 CCAELP C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2[NH2+]CCc3ccccc32)C1 ZINC000091669124 349471763 /nfs/dbraw/zinc/47/17/63/349471763.db2.gz LORLWAJQRARTOM-HIFRSBDPSA-N 2 2 289.379 0.320 10 0 CCAELP C[N@H+]1CCO[C@H](CNC(=O)[C@H]2[NH2+]CCc3ccccc32)C1 ZINC000091669124 349471767 /nfs/dbraw/zinc/47/17/67/349471767.db2.gz LORLWAJQRARTOM-HIFRSBDPSA-N 2 2 289.379 0.320 10 0 CCAELP C[N@@H+]1CCO[C@H](CNC(=O)NCCCC[NH+]2CCCC2)C1 ZINC000104789087 349717533 /nfs/dbraw/zinc/71/75/33/349717533.db2.gz NUOPERDQGYDJST-CQSZACIVSA-N 2 2 298.431 0.492 10 0 CCAELP C[N@H+]1CCO[C@H](CNC(=O)NCCCC[NH+]2CCCC2)C1 ZINC000104789087 349717538 /nfs/dbraw/zinc/71/75/38/349717538.db2.gz NUOPERDQGYDJST-CQSZACIVSA-N 2 2 298.431 0.492 10 0 CCAELP CC(=O)CC[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000106124102 349730057 /nfs/dbraw/zinc/73/00/57/349730057.db2.gz ZWKNYTUWMIDPGO-INIZCTEOSA-N 2 2 297.443 0.692 10 0 CCAELP CC(=O)CC[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000106124102 349730060 /nfs/dbraw/zinc/73/00/60/349730060.db2.gz ZWKNYTUWMIDPGO-INIZCTEOSA-N 2 2 297.443 0.692 10 0 CCAELP C[C@H](NC(=O)N1CC[C@@H]([NH+](C)C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000246423194 299118810 /nfs/dbraw/zinc/11/88/10/299118810.db2.gz MDOBVMIBUANKTR-MELADBBJSA-N 2 2 298.431 0.441 10 0 CCAELP C[C@@H](CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+])[NH+]1CCOCC1 ZINC000261635225 137013363 /nfs/dbraw/zinc/01/33/63/137013363.db2.gz CCHUOMRSPMBISD-YNEHKIRRSA-N 2 2 269.389 0.198 10 0 CCAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)CC1 ZINC000261692736 137015993 /nfs/dbraw/zinc/01/59/93/137015993.db2.gz KSMJVNKPHCDMNQ-KGLIPLIRSA-N 3 2 296.459 0.598 10 0 CCAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)CC1 ZINC000261692736 137015994 /nfs/dbraw/zinc/01/59/94/137015994.db2.gz KSMJVNKPHCDMNQ-KGLIPLIRSA-N 3 2 296.459 0.598 10 0 CCAELP C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261809525 137021290 /nfs/dbraw/zinc/02/12/90/137021290.db2.gz OQDXPMNUDHGEOH-ONGXEEELSA-N 2 2 282.388 0.422 10 0 CCAELP C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261809525 137021291 /nfs/dbraw/zinc/02/12/91/137021291.db2.gz OQDXPMNUDHGEOH-ONGXEEELSA-N 2 2 282.388 0.422 10 0 CCAELP COc1ccc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)c(OC)c1OC ZINC000263166068 137059451 /nfs/dbraw/zinc/05/94/51/137059451.db2.gz FEFMBVBWCLAZOM-NWDGAFQWSA-N 2 2 296.367 0.382 10 0 CCAELP CC[N@@H+]1CCO[C@H](c2nc([C@@H]3C[NH2+]CCN3C)no2)C1 ZINC000263280366 137062508 /nfs/dbraw/zinc/06/25/08/137062508.db2.gz UDWYTNJLXCCVCZ-QWRGUYRKSA-N 2 2 281.360 0.039 10 0 CCAELP CC[N@H+]1CCO[C@H](c2nc([C@@H]3C[NH2+]CCN3C)no2)C1 ZINC000263280366 137062509 /nfs/dbraw/zinc/06/25/09/137062509.db2.gz UDWYTNJLXCCVCZ-QWRGUYRKSA-N 2 2 281.360 0.039 10 0 CCAELP CCOC(=O)c1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)o1 ZINC000263306881 137063543 /nfs/dbraw/zinc/06/35/43/137063543.db2.gz XZZSTQSERYUNTN-KOLCDFICSA-N 2 2 268.313 0.126 10 0 CCAELP C[C@@H]1CN(c2ccc(CNC(=O)C3C[NH2+]C3)c[nH+]2)CCO1 ZINC000263342611 137064509 /nfs/dbraw/zinc/06/45/09/137064509.db2.gz YBERELQCEJXRFD-LLVKDONJSA-N 2 2 290.367 0.142 10 0 CCAELP CCC[N@H+](C)Cc1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263219388 137060424 /nfs/dbraw/zinc/06/04/24/137060424.db2.gz LOGHJUZYNWKXSU-SNVBAGLBSA-N 2 2 253.350 0.488 10 0 CCAELP CCC[N@@H+](C)Cc1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263219388 137060425 /nfs/dbraw/zinc/06/04/25/137060425.db2.gz LOGHJUZYNWKXSU-SNVBAGLBSA-N 2 2 253.350 0.488 10 0 CCAELP CC(C)C[C@H](C[NH+](C)C)[NH2+]C[C@H](O)CN1CCOCC1 ZINC000049555616 348456500 /nfs/dbraw/zinc/45/65/00/348456500.db2.gz QSMIRNMOXGGLAL-CABCVRRESA-N 2 2 287.448 0.245 10 0 CCAELP CN(C)c1[nH+]cc(C[NH2+][C@H]2CCCC[C@H]2O)n1C ZINC000070144091 348873291 /nfs/dbraw/zinc/87/32/91/348873291.db2.gz HQKKNFJEMSDTEU-NWDGAFQWSA-N 2 2 252.362 0.879 10 0 CCAELP CCC[C@H](C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)[NH+](C)C ZINC000120946977 350015277 /nfs/dbraw/zinc/01/52/77/350015277.db2.gz RADHDGWDHJRTIV-ZIAGYGMSSA-N 2 2 283.416 0.650 10 0 CCAELP C[C@@H](CNC(=O)NCC1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000105124396 186043127 /nfs/dbraw/zinc/04/31/27/186043127.db2.gz HIRZNILDLCKQLM-ZDUSSCGKSA-N 2 2 298.431 0.348 10 0 CCAELP CCC[C@H](C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1)[NH+](C)C ZINC000163749887 350772047 /nfs/dbraw/zinc/77/20/47/350772047.db2.gz ILQZLZGQVLISIJ-RRFJBIMHSA-N 2 2 297.443 0.896 10 0 CCAELP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171900970 350941267 /nfs/dbraw/zinc/94/12/67/350941267.db2.gz GDEQSKZIJFGREU-UONOGXRCSA-N 2 2 296.415 0.197 10 0 CCAELP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171900970 350941270 /nfs/dbraw/zinc/94/12/70/350941270.db2.gz GDEQSKZIJFGREU-UONOGXRCSA-N 2 2 296.415 0.197 10 0 CCAELP CC[NH+](CC)CC(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000173980414 351065701 /nfs/dbraw/zinc/06/57/01/351065701.db2.gz AVZSUTOIMDXADC-UONOGXRCSA-N 2 2 283.416 0.507 10 0 CCAELP CCc1nnc(C[N@H+](C)CCCN2CC[NH+](C)CC2)n1C ZINC000179250129 351262367 /nfs/dbraw/zinc/26/23/67/351262367.db2.gz GGVYEDUNYVLARQ-UHFFFAOYSA-N 2 2 294.447 0.447 10 0 CCAELP CCc1nnc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)n1C ZINC000179250129 351262370 /nfs/dbraw/zinc/26/23/70/351262370.db2.gz GGVYEDUNYVLARQ-UHFFFAOYSA-N 2 2 294.447 0.447 10 0 CCAELP Cc1cc(N2CC[NH+](CCn3cc[nH+]c3)CC2)n[nH]1 ZINC000187196591 351533953 /nfs/dbraw/zinc/53/39/53/351533953.db2.gz HQFLJYNLSANENY-UHFFFAOYSA-N 2 2 260.345 0.737 10 0 CCAELP CO[C@@H]1C[NH2+][C@@H](C(=O)NCc2cn3c(cccc3C)[nH+]2)C1 ZINC000187953279 351565368 /nfs/dbraw/zinc/56/53/68/351565368.db2.gz YETCJUKTJRAWOX-QWHCGFSZSA-N 2 2 288.351 0.636 10 0 CCAELP C[N@@H+]1CCN(c2nccc(C(F)(F)F)n2)[C@@H](C[NH3+])C1 ZINC000226622939 352031258 /nfs/dbraw/zinc/03/12/58/352031258.db2.gz SWRXZRVNGBZCRY-QMMMGPOBSA-N 2 2 275.278 0.575 10 0 CCAELP C[N@H+]1CCN(c2nccc(C(F)(F)F)n2)[C@@H](C[NH3+])C1 ZINC000226622939 352031261 /nfs/dbraw/zinc/03/12/61/352031261.db2.gz SWRXZRVNGBZCRY-QMMMGPOBSA-N 2 2 275.278 0.575 10 0 CCAELP C[C@@H]1C[N@H+](CCCn2cc[nH+]c2)C[C@H]1N1CCOCC1 ZINC000246014235 352345100 /nfs/dbraw/zinc/34/51/00/352345100.db2.gz ZBFJPVBZVVPUFT-HUUCEWRRSA-N 2 2 278.400 0.926 10 0 CCAELP C[C@@H]1C[N@@H+](CCCn2cc[nH+]c2)C[C@H]1N1CCOCC1 ZINC000246014235 352345102 /nfs/dbraw/zinc/34/51/02/352345102.db2.gz ZBFJPVBZVVPUFT-HUUCEWRRSA-N 2 2 278.400 0.926 10 0 CCAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H](C)c1nnnn1C ZINC000248944881 352467824 /nfs/dbraw/zinc/46/78/24/352467824.db2.gz DFOUWOMOHJABPD-PWSUYJOCSA-N 2 2 275.360 0.941 10 0 CCAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H](C)c1nnnn1C ZINC000248944881 352467827 /nfs/dbraw/zinc/46/78/27/352467827.db2.gz DFOUWOMOHJABPD-PWSUYJOCSA-N 2 2 275.360 0.941 10 0 CCAELP CN1CC[C@H]([NH+]2CCC([NH+]3CCCC3)CC2)C1=O ZINC000116277489 283116318 /nfs/dbraw/zinc/11/63/18/283116318.db2.gz PLDPJAWMWSXRHV-ZDUSSCGKSA-N 2 2 251.374 0.777 10 0 CCAELP C[N@H+]1C[C@@H]2C[NH+](C[C@](C)(O)C(F)(F)F)C[C@@H]2C1 ZINC000375998623 283212275 /nfs/dbraw/zinc/21/22/75/283212275.db2.gz HFGSFEYFCURDTN-AEJSXWLSSA-N 2 2 252.280 0.793 10 0 CCAELP C[N@@H+]1C[C@@H]2C[NH+](C[C@](C)(O)C(F)(F)F)C[C@@H]2C1 ZINC000375998623 283212279 /nfs/dbraw/zinc/21/22/79/283212279.db2.gz HFGSFEYFCURDTN-AEJSXWLSSA-N 2 2 252.280 0.793 10 0 CCAELP C[NH+]1C[C@@H]2C[N@@H+](C[C@](C)(O)C(F)(F)F)C[C@@H]2C1 ZINC000375998623 283212283 /nfs/dbraw/zinc/21/22/83/283212283.db2.gz HFGSFEYFCURDTN-AEJSXWLSSA-N 2 2 252.280 0.793 10 0 CCAELP C[NH+]1C[C@@H]2C[N@H+](C[C@](C)(O)C(F)(F)F)C[C@@H]2C1 ZINC000375998623 283212285 /nfs/dbraw/zinc/21/22/85/283212285.db2.gz HFGSFEYFCURDTN-AEJSXWLSSA-N 2 2 252.280 0.793 10 0 CCAELP CO[C@H]1C[C@@H](C(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)[N@H+](C)C1 ZINC000329067654 202175888 /nfs/dbraw/zinc/17/58/88/202175888.db2.gz XDKBLQSEYYXVPO-TUAOUCFPSA-N 2 2 278.356 0.792 10 0 CCAELP CO[C@H]1C[C@@H](C(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)[N@@H+](C)C1 ZINC000329067654 202175892 /nfs/dbraw/zinc/17/58/92/202175892.db2.gz XDKBLQSEYYXVPO-TUAOUCFPSA-N 2 2 278.356 0.792 10 0 CCAELP CCc1nnc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)n1C ZINC000573325080 358957736 /nfs/dbraw/zinc/95/77/36/358957736.db2.gz IJFXYRJLJBIADR-GHMZBOCLSA-N 2 2 251.378 0.937 10 0 CCAELP CCc1nnc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)n1C ZINC000573325080 358957737 /nfs/dbraw/zinc/95/77/37/358957737.db2.gz IJFXYRJLJBIADR-GHMZBOCLSA-N 2 2 251.378 0.937 10 0 CCAELP CC(C)n1nnnc1C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000563155310 291200319 /nfs/dbraw/zinc/20/03/19/291200319.db2.gz NMPQHCNMXXBKPY-UHFFFAOYSA-N 2 2 282.392 0.584 10 0 CCAELP O=C([C@H]1COCC[NH2+]1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000088371106 296138790 /nfs/dbraw/zinc/13/87/90/296138790.db2.gz PHZZWUXQSTYNKZ-QWHCGFSZSA-N 2 2 267.373 0.062 10 0 CCAELP CO[C@@H]1C[N@H+](CCO[C@@H]2CC2(F)F)[C@@](C)(C[NH3+])C1 ZINC000630362922 370064315 /nfs/dbraw/zinc/06/43/15/370064315.db2.gz ALDLYHBZZNFJAA-HBNTYKKESA-N 2 2 264.316 0.849 10 0 CCAELP CO[C@@H]1C[N@@H+](CCO[C@@H]2CC2(F)F)[C@@](C)(C[NH3+])C1 ZINC000630362922 370064316 /nfs/dbraw/zinc/06/43/16/370064316.db2.gz ALDLYHBZZNFJAA-HBNTYKKESA-N 2 2 264.316 0.849 10 0 CCAELP C[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1CCn2cc[nH+]c2C1 ZINC000637531188 374216508 /nfs/dbraw/zinc/21/65/08/374216508.db2.gz ZAAVOBFOOFDZCP-OLZOCXBDSA-N 2 2 291.399 0.839 10 0 CCAELP C[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1CCn2cc[nH+]c2C1 ZINC000637531188 374216509 /nfs/dbraw/zinc/21/65/09/374216509.db2.gz ZAAVOBFOOFDZCP-OLZOCXBDSA-N 2 2 291.399 0.839 10 0 CCAELP CC(C)CC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000638273920 374876185 /nfs/dbraw/zinc/87/61/85/374876185.db2.gz COGNPXJEOJQBEC-NEPJUHHUSA-N 2 2 257.378 0.197 10 0 CCAELP CC(C)CC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000638273920 374876188 /nfs/dbraw/zinc/87/61/88/374876188.db2.gz COGNPXJEOJQBEC-NEPJUHHUSA-N 2 2 257.378 0.197 10 0 CCAELP CC(C)([NH3+])CC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000084186750 389003562 /nfs/dbraw/zinc/00/35/62/389003562.db2.gz VJOWHFHNVGXXRS-NSHDSACASA-N 2 2 255.362 0.047 10 0 CCAELP CCn1ncnc1C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000193336861 389066634 /nfs/dbraw/zinc/06/66/34/389066634.db2.gz AOORFGQHNQFPGC-ZDUSSCGKSA-N 2 2 295.431 0.823 10 0 CCAELP CCn1ncnc1C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000193336861 389066638 /nfs/dbraw/zinc/06/66/38/389066638.db2.gz AOORFGQHNQFPGC-ZDUSSCGKSA-N 2 2 295.431 0.823 10 0 CCAELP c1nc(N2C[C@H]3C[NH2+]C[C@H]3C2)cc(NCC2CC2)[nH+]1 ZINC000333605553 389436208 /nfs/dbraw/zinc/43/62/08/389436208.db2.gz XDDLSFLQIGULBL-TXEJJXNPSA-N 2 2 259.357 0.954 10 0 CCAELP c1nc(NCC2CC2)cc(N2C[C@H]3C[NH2+]C[C@H]3C2)[nH+]1 ZINC000333605553 389436211 /nfs/dbraw/zinc/43/62/11/389436211.db2.gz XDDLSFLQIGULBL-TXEJJXNPSA-N 2 2 259.357 0.954 10 0 CCAELP C[N@@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3CCCC[NH2+]C3)C[C@@H]21 ZINC000333776963 389443240 /nfs/dbraw/zinc/44/32/40/389443240.db2.gz DBKROKSWXXLHSD-HZSPNIEDSA-N 2 2 296.415 0.243 10 0 CCAELP C[N@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3CCCC[NH2+]C3)C[C@@H]21 ZINC000333776963 389443241 /nfs/dbraw/zinc/44/32/41/389443241.db2.gz DBKROKSWXXLHSD-HZSPNIEDSA-N 2 2 296.415 0.243 10 0 CCAELP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1c1cnn(C)c1 ZINC000382414206 397490951 /nfs/dbraw/zinc/49/09/51/397490951.db2.gz HBCNONXEDJRBAH-KGLIPLIRSA-N 2 2 266.389 0.870 10 0 CCAELP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1c1cnn(C)c1 ZINC000382414206 397490954 /nfs/dbraw/zinc/49/09/54/397490954.db2.gz HBCNONXEDJRBAH-KGLIPLIRSA-N 2 2 266.389 0.870 10 0 CCAELP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000382414206 397490956 /nfs/dbraw/zinc/49/09/56/397490956.db2.gz HBCNONXEDJRBAH-KGLIPLIRSA-N 2 2 266.389 0.870 10 0 CCAELP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000382414206 397490958 /nfs/dbraw/zinc/49/09/58/397490958.db2.gz HBCNONXEDJRBAH-KGLIPLIRSA-N 2 2 266.389 0.870 10 0 CCAELP Cc1cc(NC(=O)[C@@H]2CCC[N@@H+]2C2CC[NH2+]CC2)n(C)n1 ZINC000038042936 174047862 /nfs/dbraw/zinc/04/78/62/174047862.db2.gz NKFGBFZSXSIUGD-ZDUSSCGKSA-N 2 2 291.399 0.883 10 0 CCAELP Cc1cc(NC(=O)[C@@H]2CCC[N@H+]2C2CC[NH2+]CC2)n(C)n1 ZINC000038042936 174047865 /nfs/dbraw/zinc/04/78/65/174047865.db2.gz NKFGBFZSXSIUGD-ZDUSSCGKSA-N 2 2 291.399 0.883 10 0 CCAELP CN(C(=O)CCn1cc[nH+]c1)[C@H](C[NH3+])C(F)(F)F ZINC000662980640 414932260 /nfs/dbraw/zinc/93/22/60/414932260.db2.gz JQSGWSCJUMINDQ-MRVPVSSYSA-N 2 2 264.251 0.621 10 0 CCAELP CC[C@@H](C)NC(=O)[C@@H](C)[N@H+](CCC[NH3+])CCOC ZINC000071224814 176089289 /nfs/dbraw/zinc/08/92/89/176089289.db2.gz OSNHMITVXOQEIU-VXGBXAGGSA-N 2 2 259.394 0.587 10 0 CCAELP CC[C@@H](C)NC(=O)[C@@H](C)[N@@H+](CCC[NH3+])CCOC ZINC000071224814 176089290 /nfs/dbraw/zinc/08/92/90/176089290.db2.gz OSNHMITVXOQEIU-VXGBXAGGSA-N 2 2 259.394 0.587 10 0 CCAELP COc1cc2c(cc1OC)C[N@H+](CCNC(N)=[NH2+])CC2 ZINC000071629327 176235878 /nfs/dbraw/zinc/23/58/78/176235878.db2.gz YHICHAIVWDPRGJ-UHFFFAOYSA-N 2 2 278.356 0.545 10 0 CCAELP COc1cc2c(cc1OC)C[N@@H+](CCNC(N)=[NH2+])CC2 ZINC000071629327 176235879 /nfs/dbraw/zinc/23/58/79/176235879.db2.gz YHICHAIVWDPRGJ-UHFFFAOYSA-N 2 2 278.356 0.545 10 0 CCAELP Cc1cc(-n2cc(S(C)(=O)=O)cn2)c(C[NH3+])c(C)[nH+]1 ZINC000725251561 545876199 /nfs/dbraw/zinc/87/61/99/545876199.db2.gz BPCIPTZCLAUVNU-UHFFFAOYSA-N 2 2 280.353 0.746 10 0 CCAELP COC(=O)[C@@H]1CCC[N@@H+]([C@H]2COC[C@@H]2C[NH+](C)C)C1 ZINC000725273850 545889398 /nfs/dbraw/zinc/88/93/98/545889398.db2.gz NCLBYKCDGURWTI-AGIUHOORSA-N 2 2 270.373 0.448 10 0 CCAELP COC(=O)[C@@H]1CCC[N@H+]([C@H]2COC[C@@H]2C[NH+](C)C)C1 ZINC000725273850 545889400 /nfs/dbraw/zinc/88/94/00/545889400.db2.gz NCLBYKCDGURWTI-AGIUHOORSA-N 2 2 270.373 0.448 10 0 CCAELP CC(C)[C@@H]([NH3+])CC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000136325572 544638004 /nfs/dbraw/zinc/63/80/04/544638004.db2.gz XBWFMVFVXXRXKQ-RYUDHWBXSA-N 2 2 257.378 0.197 10 0 CCAELP COCC[N@@H+]1CCN(C(=O)c2ccc(C[NH3+])o2)C[C@@H]1C ZINC000168024756 544728521 /nfs/dbraw/zinc/72/85/21/544728521.db2.gz NHCVJYFLZNJSMW-NSHDSACASA-N 2 2 281.356 0.531 10 0 CCAELP COCC[N@H+]1CCN(C(=O)c2ccc(C[NH3+])o2)C[C@@H]1C ZINC000168024756 544728523 /nfs/dbraw/zinc/72/85/23/544728523.db2.gz NHCVJYFLZNJSMW-NSHDSACASA-N 2 2 281.356 0.531 10 0 CCAELP CC1(C)COCC[N@@H+]1CCNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000181000989 278353120 /nfs/dbraw/zinc/35/31/20/278353120.db2.gz OTIIKEOEZSIXFN-OAHLLOKOSA-N 2 2 283.416 0.746 10 0 CCAELP CC1(C)COCC[N@H+]1CCNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000181000989 278353121 /nfs/dbraw/zinc/35/31/21/278353121.db2.gz OTIIKEOEZSIXFN-OAHLLOKOSA-N 2 2 283.416 0.746 10 0 CCAELP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193634189 289331786 /nfs/dbraw/zinc/33/17/86/289331786.db2.gz HOOZAUZJMSYANS-UTUOFQBUSA-N 2 2 296.415 0.493 10 0 CCAELP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193634189 289331790 /nfs/dbraw/zinc/33/17/90/289331790.db2.gz HOOZAUZJMSYANS-UTUOFQBUSA-N 2 2 296.415 0.493 10 0 CCAELP C[C@H](C(=O)NC(=O)NC(C)(C)C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193634189 289331793 /nfs/dbraw/zinc/33/17/93/289331793.db2.gz HOOZAUZJMSYANS-UTUOFQBUSA-N 2 2 296.415 0.493 10 0 CCAELP C[C@H](C(=O)NC(=O)NC(C)(C)C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193634189 289331798 /nfs/dbraw/zinc/33/17/98/289331798.db2.gz HOOZAUZJMSYANS-UTUOFQBUSA-N 2 2 296.415 0.493 10 0 CCAELP Cn1cc(NC(=O)[C@@H]2CCC[N@@H+]2C2CC[NH2+]CC2)cn1 ZINC000038043149 294264678 /nfs/dbraw/zinc/26/46/78/294264678.db2.gz IRCSWSKZSWUTHL-ZDUSSCGKSA-N 2 2 277.372 0.575 10 0 CCAELP Cn1cc(NC(=O)[C@@H]2CCC[N@H+]2C2CC[NH2+]CC2)cn1 ZINC000038043149 294264681 /nfs/dbraw/zinc/26/46/81/294264681.db2.gz IRCSWSKZSWUTHL-ZDUSSCGKSA-N 2 2 277.372 0.575 10 0 CCAELP CC[NH2+][C@H](CC[N@@H+]1CCO[C@H]2CCCC[C@@H]21)C(N)=O ZINC000062524812 520188837 /nfs/dbraw/zinc/18/88/37/520188837.db2.gz IMPQBOXXSFADJG-AGIUHOORSA-N 2 2 269.389 0.483 10 0 CCAELP CC[NH2+][C@H](CC[N@H+]1CCO[C@H]2CCCC[C@@H]21)C(N)=O ZINC000062524812 520188846 /nfs/dbraw/zinc/18/88/46/520188846.db2.gz IMPQBOXXSFADJG-AGIUHOORSA-N 2 2 269.389 0.483 10 0 CCAELP CCCNC(=O)[C@H](C)[NH2+]C[C@@H](O)C[NH+](CC)CC ZINC000049203341 519892284 /nfs/dbraw/zinc/89/22/84/519892284.db2.gz UVBMOFLNOLXJPU-NWDGAFQWSA-N 2 2 259.394 0.193 10 0 CCAELP CC[C@H](C)[C@H](C[NH3+])[NH+]1CCN(CC[NH+](C)C)CC1 ZINC000061643120 521941617 /nfs/dbraw/zinc/94/16/17/521941617.db2.gz GHVAXYOMYSZWGN-KBPBESRZSA-N 3 2 256.438 0.539 10 0 CCAELP C[NH2+][C@H](CC[N@H+](C)CCc1ccncc1)C(N)=O ZINC000062452501 522459568 /nfs/dbraw/zinc/45/95/68/522459568.db2.gz VZSIFLBGWABSEG-GFCCVEGCSA-N 2 2 250.346 0.019 10 0 CCAELP C[NH2+][C@H](CC[N@@H+](C)CCc1ccncc1)C(N)=O ZINC000062452501 522459573 /nfs/dbraw/zinc/45/95/73/522459573.db2.gz VZSIFLBGWABSEG-GFCCVEGCSA-N 2 2 250.346 0.019 10 0 CCAELP CC(C)(C)OC(=O)N[C@H]1C[NH2+]CC[C@@H]1C1C[NH2+]C[NH2+]C1 ZINC000669384840 545206282 /nfs/dbraw/zinc/20/62/82/545206282.db2.gz JFESKUDHTZKLEP-NEPJUHHUSA-N 3 2 284.404 0.256 10 0 CCAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)CC1 ZINC000261692741 535639715 /nfs/dbraw/zinc/63/97/15/535639715.db2.gz KSMJVNKPHCDMNQ-UONOGXRCSA-N 3 2 296.459 0.598 10 0 CCAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)CC1 ZINC000261692741 535639719 /nfs/dbraw/zinc/63/97/19/535639719.db2.gz KSMJVNKPHCDMNQ-UONOGXRCSA-N 3 2 296.459 0.598 10 0 CCAELP CC[N@@H+]1CCO[C@@H](C[NH2+]Cc2c(C)cnn2C)C1 ZINC000394886687 581168890 /nfs/dbraw/zinc/16/88/90/581168890.db2.gz RBKHCRZEUJGESL-LBPRGKRZSA-N 2 2 252.362 0.539 10 0 CCAELP CC[N@H+]1CCO[C@@H](C[NH2+]Cc2c(C)cnn2C)C1 ZINC000394886687 581168893 /nfs/dbraw/zinc/16/88/93/581168893.db2.gz RBKHCRZEUJGESL-LBPRGKRZSA-N 2 2 252.362 0.539 10 0 CCAELP C[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CC(N)=O)C2)ccn1 ZINC000886068643 615952991 /nfs/dbraw/zinc/95/29/91/615952991.db2.gz FXBOMJVBHWZRFZ-ZDUSSCGKSA-N 2 2 278.356 0.082 10 0 CCAELP C[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CC(N)=O)C2)ccn1 ZINC000886068643 615952992 /nfs/dbraw/zinc/95/29/92/615952992.db2.gz FXBOMJVBHWZRFZ-ZDUSSCGKSA-N 2 2 278.356 0.082 10 0 CCAELP CO[C@H]1CC(=O)N(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)C1 ZINC000249495551 649746952 /nfs/dbraw/zinc/74/69/52/649746952.db2.gz VZQCVKDRISINFO-KGLIPLIRSA-N 2 2 292.383 0.861 10 0 CCAELP CO[C@H]1CC(=O)N(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)C1 ZINC000249495551 649746954 /nfs/dbraw/zinc/74/69/54/649746954.db2.gz VZQCVKDRISINFO-KGLIPLIRSA-N 2 2 292.383 0.861 10 0 CCAELP [NH3+][C@H]1CC[C@H](C(=O)N2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000091543697 349466844 /nfs/dbraw/zinc/46/68/44/349466844.db2.gz XTYIKLPVRBNZQN-GJZGRUSLSA-N 2 2 288.395 0.853 10 0 CCAELP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2cc[nH]c2)CC1 ZINC000093821228 349555123 /nfs/dbraw/zinc/55/51/23/349555123.db2.gz SRJOFMCTHQZNNM-CQSZACIVSA-N 2 2 276.384 0.753 10 0 CCAELP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2cc[nH]c2)CC1 ZINC000093821228 349555126 /nfs/dbraw/zinc/55/51/26/349555126.db2.gz SRJOFMCTHQZNNM-CQSZACIVSA-N 2 2 276.384 0.753 10 0 CCAELP C[C@H](C[NH+]1CCCCC1)NC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000105129593 349720318 /nfs/dbraw/zinc/72/03/18/349720318.db2.gz OPALQYYDOWMSKR-KGLIPLIRSA-N 2 2 298.431 0.491 10 0 CCAELP C[C@H](C[NH+]1CCCCC1)NC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000105129593 349720321 /nfs/dbraw/zinc/72/03/21/349720321.db2.gz OPALQYYDOWMSKR-KGLIPLIRSA-N 2 2 298.431 0.491 10 0 CCAELP C[C@H](C[NH+]1CCCCC1)NC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000105129585 349720521 /nfs/dbraw/zinc/72/05/21/349720521.db2.gz OPALQYYDOWMSKR-ZIAGYGMSSA-N 2 2 298.431 0.491 10 0 CCAELP C[C@H](C[NH+]1CCCCC1)NC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000105129585 349720523 /nfs/dbraw/zinc/72/05/23/349720523.db2.gz OPALQYYDOWMSKR-ZIAGYGMSSA-N 2 2 298.431 0.491 10 0 CCAELP CO[C@H]1CC[N@H+](CCc2cnn(C)c2)[C@H](C[NH3+])C1 ZINC000261548466 536747262 /nfs/dbraw/zinc/74/72/62/536747262.db2.gz BNCNHWMODMJWFV-STQMWFEESA-N 2 2 252.362 0.401 10 0 CCAELP CO[C@H]1CC[N@@H+](CCc2cnn(C)c2)[C@H](C[NH3+])C1 ZINC000261548466 536747270 /nfs/dbraw/zinc/74/72/70/536747270.db2.gz BNCNHWMODMJWFV-STQMWFEESA-N 2 2 252.362 0.401 10 0 CCAELP COCC[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863324 349726504 /nfs/dbraw/zinc/72/65/04/349726504.db2.gz DWIUMRKFNFQRQW-UHFFFAOYSA-N 2 2 266.389 0.926 10 0 CCAELP COCC[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863324 349726506 /nfs/dbraw/zinc/72/65/06/349726506.db2.gz DWIUMRKFNFQRQW-UHFFFAOYSA-N 2 2 266.389 0.926 10 0 CCAELP CCC[C@H](C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1)[NH+](C)C ZINC000152780095 290671111 /nfs/dbraw/zinc/67/11/11/290671111.db2.gz OLGFCKYJZYLDHW-MGPQQGTHSA-N 2 2 285.432 0.942 10 0 CCAELP CC[NH+](CC)CC(=O)N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC000117285686 349882683 /nfs/dbraw/zinc/88/26/83/349882683.db2.gz HSVYLFNPMJDHMI-ZDUSSCGKSA-N 2 2 271.405 0.507 10 0 CCAELP CC[NH+](CC)CC(=O)N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC000117285686 349882684 /nfs/dbraw/zinc/88/26/84/349882684.db2.gz HSVYLFNPMJDHMI-ZDUSSCGKSA-N 2 2 271.405 0.507 10 0 CCAELP COCC[N@@H+]1CCN(C(=O)C[NH+](C)C(C)C)C[C@@H]1C ZINC000117292522 349883744 /nfs/dbraw/zinc/88/37/44/349883744.db2.gz SOZSONFCMIDRFQ-ZDUSSCGKSA-N 2 2 271.405 0.506 10 0 CCAELP COCC[N@H+]1CCN(C(=O)C[NH+](C)C(C)C)C[C@@H]1C ZINC000117292522 349883745 /nfs/dbraw/zinc/88/37/45/349883745.db2.gz SOZSONFCMIDRFQ-ZDUSSCGKSA-N 2 2 271.405 0.506 10 0 CCAELP COCC[NH+]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC000117292522 349883746 /nfs/dbraw/zinc/88/37/46/349883746.db2.gz SOZSONFCMIDRFQ-ZDUSSCGKSA-N 2 2 271.405 0.506 10 0 CCAELP COCC[NH+]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC000117292522 349883747 /nfs/dbraw/zinc/88/37/47/349883747.db2.gz SOZSONFCMIDRFQ-ZDUSSCGKSA-N 2 2 271.405 0.506 10 0 CCAELP COC[C@H]([NH3+])C(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000262394015 137042059 /nfs/dbraw/zinc/04/20/59/137042059.db2.gz ZBWHJYYQNIIZKL-ZDUSSCGKSA-N 2 2 292.383 0.449 10 0 CCAELP COCCC(=O)N1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261875324 137023841 /nfs/dbraw/zinc/02/38/41/137023841.db2.gz PVBKRQWAMZFGKF-CQSZACIVSA-N 2 2 269.389 0.167 10 0 CCAELP Cc1[nH+]cc(CNC[C@@H]2C[NH2+]C[C@H]2O)n1-c1ccccc1 ZINC000263154593 137059198 /nfs/dbraw/zinc/05/91/98/137059198.db2.gz DHDBIQHOTHKGPN-CZUORRHYSA-N 2 2 286.379 0.851 10 0 CCAELP COc1cccc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)c1OC ZINC000262163340 137028798 /nfs/dbraw/zinc/02/87/98/137028798.db2.gz TUDCPPLRYVEVHM-NEPJUHHUSA-N 2 2 266.341 0.374 10 0 CCAELP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cccc2c1OCCCO2 ZINC000262199444 137030733 /nfs/dbraw/zinc/03/07/33/137030733.db2.gz ZYAOEOQSSUVKHA-STQMWFEESA-N 2 2 278.352 0.518 10 0 CCAELP Cc1ncc(C[NH+]2CCN(C(=O)C3C[NH2+]C3)CC2)s1 ZINC000262198763 137030864 /nfs/dbraw/zinc/03/08/64/137030864.db2.gz GXWMHUOVNMDRFB-UHFFFAOYSA-N 2 2 280.397 0.315 10 0 CCAELP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cc(C(F)(F)F)n[nH]1 ZINC000263241484 137061348 /nfs/dbraw/zinc/06/13/48/137061348.db2.gz ORTTUJIHRBTVDH-SVRRBLITSA-N 2 2 264.251 0.098 10 0 CCAELP O=C(C[C@H]1CCC[NH2+]1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000062976741 348674641 /nfs/dbraw/zinc/67/46/41/348674641.db2.gz BYXPKTNPTCACEK-CHWSQXEVSA-N 2 2 267.373 0.062 10 0 CCAELP C[C@@H]1C[N@H+](CC[C@@H]2CCC[NH+]2C)C[C@H](C(N)=O)O1 ZINC000089615129 349396736 /nfs/dbraw/zinc/39/67/36/349396736.db2.gz WQTZYIOGUCXMFN-GRYCIOLGSA-N 2 2 255.362 0.045 10 0 CCAELP C[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH+]2C)C[C@H](C(N)=O)O1 ZINC000089615129 349396738 /nfs/dbraw/zinc/39/67/38/349396738.db2.gz WQTZYIOGUCXMFN-GRYCIOLGSA-N 2 2 255.362 0.045 10 0 CCAELP C[C@@H]1C[NH+](CC[C@@H]2CCC[N@@H+]2C)C[C@H](C(N)=O)O1 ZINC000089615129 349396741 /nfs/dbraw/zinc/39/67/41/349396741.db2.gz WQTZYIOGUCXMFN-GRYCIOLGSA-N 2 2 255.362 0.045 10 0 CCAELP C[C@@H]1C[NH+](CC[C@@H]2CCC[N@H+]2C)C[C@H](C(N)=O)O1 ZINC000089615129 349396743 /nfs/dbraw/zinc/39/67/43/349396743.db2.gz WQTZYIOGUCXMFN-GRYCIOLGSA-N 2 2 255.362 0.045 10 0 CCAELP CN(C)c1[nH+]cc(C[NH2+]C[C@@H]2CCC[C@@H]2O)n1C ZINC000089159735 349377790 /nfs/dbraw/zinc/37/77/90/349377790.db2.gz VGKDGVZKRCRMOF-JQWIXIFHSA-N 2 2 252.362 0.737 10 0 CCAELP Cn1nc2c(cc1=O)C[N@@H+](CCC[NH+]1CCCC1)CC2 ZINC000163224349 350762448 /nfs/dbraw/zinc/76/24/48/350762448.db2.gz OTZCRXKFZRRHIR-UHFFFAOYSA-N 2 2 276.384 0.624 10 0 CCAELP Cn1nc2c(cc1=O)C[N@H+](CCC[NH+]1CCCC1)CC2 ZINC000163224349 350762454 /nfs/dbraw/zinc/76/24/54/350762454.db2.gz OTZCRXKFZRRHIR-UHFFFAOYSA-N 2 2 276.384 0.624 10 0 CCAELP COC[C@@H](C)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000177122701 351194240 /nfs/dbraw/zinc/19/42/40/351194240.db2.gz NSFPWICSEIQJRS-GFCCVEGCSA-N 2 2 271.405 0.411 10 0 CCAELP CC(C)[C@H](C)NC(=O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193651938 351839480 /nfs/dbraw/zinc/83/94/80/351839480.db2.gz LCKRNOTUWXPJIJ-RWMBFGLXSA-N 2 2 253.390 0.641 10 0 CCAELP CC(C)[C@H](C)NC(=O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193651938 351839484 /nfs/dbraw/zinc/83/94/84/351839484.db2.gz LCKRNOTUWXPJIJ-RWMBFGLXSA-N 2 2 253.390 0.641 10 0 CCAELP CC(C)[C@H](C)NC(=O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193651938 351839486 /nfs/dbraw/zinc/83/94/86/351839486.db2.gz LCKRNOTUWXPJIJ-RWMBFGLXSA-N 2 2 253.390 0.641 10 0 CCAELP CC(C)[C@H](C)NC(=O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193651938 351839489 /nfs/dbraw/zinc/83/94/89/351839489.db2.gz LCKRNOTUWXPJIJ-RWMBFGLXSA-N 2 2 253.390 0.641 10 0 CCAELP CC[NH2+]Cc1cccc(NC(=O)[C@@H]2COCC[NH2+]2)c1 ZINC000122989680 187064696 /nfs/dbraw/zinc/06/46/96/187064696.db2.gz ZRFZQUXWKVWNES-ZDUSSCGKSA-N 2 2 263.341 0.723 10 0 CCAELP O[C@@H]1CC[N@H+](Cc2nc(C3(O)CC[NH2+]CC3)cs2)C1 ZINC000225465817 352006387 /nfs/dbraw/zinc/00/63/87/352006387.db2.gz HKRDPRBIEVSRIY-SNVBAGLBSA-N 2 2 283.397 0.281 10 0 biogenic,in-vitro CCAELP O[C@@H]1CC[N@@H+](Cc2nc(C3(O)CC[NH2+]CC3)cs2)C1 ZINC000225465817 352006388 /nfs/dbraw/zinc/00/63/88/352006388.db2.gz HKRDPRBIEVSRIY-SNVBAGLBSA-N 2 2 283.397 0.281 10 0 biogenic,in-vitro CCAELP COc1c(N)[nH+]cnc1N1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000227372231 352048485 /nfs/dbraw/zinc/04/84/85/352048485.db2.gz RKXMRFCOSSVMBA-DTWKUNHWSA-N 2 2 251.334 0.454 10 0 CCAELP C[C@H]1C[N@H+](CCn2cc[nH+]c2)C[C@H]1N1CCOCC1 ZINC000245632425 352331693 /nfs/dbraw/zinc/33/16/93/352331693.db2.gz QKKLUARIUKACSK-UONOGXRCSA-N 2 2 264.373 0.536 10 0 CCAELP C[C@H]1C[N@@H+](CCn2cc[nH+]c2)C[C@H]1N1CCOCC1 ZINC000245632425 352331695 /nfs/dbraw/zinc/33/16/95/352331695.db2.gz QKKLUARIUKACSK-UONOGXRCSA-N 2 2 264.373 0.536 10 0 CCAELP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000247252534 352407247 /nfs/dbraw/zinc/40/72/47/352407247.db2.gz PQTYRRXQBPQURW-KGLIPLIRSA-N 2 2 298.431 0.300 10 0 CCAELP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000247252534 352407250 /nfs/dbraw/zinc/40/72/50/352407250.db2.gz PQTYRRXQBPQURW-KGLIPLIRSA-N 2 2 298.431 0.300 10 0 CCAELP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000247252534 352407252 /nfs/dbraw/zinc/40/72/52/352407252.db2.gz PQTYRRXQBPQURW-KGLIPLIRSA-N 2 2 298.431 0.300 10 0 CCAELP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000247252534 352407255 /nfs/dbraw/zinc/40/72/55/352407255.db2.gz PQTYRRXQBPQURW-KGLIPLIRSA-N 2 2 298.431 0.300 10 0 CCAELP C[NH+]1CCC(Nc2cc(N3CCC[C@@H]3CO)[nH+]cn2)CC1 ZINC000153031974 188060291 /nfs/dbraw/zinc/06/02/91/188060291.db2.gz MJNTVXMMRXJJRB-CYBMUJFWSA-N 2 2 291.399 0.944 10 0 CCAELP C[NH+]1CCC(Nc2cc(N3CCC[C@@H]3CO)nc[nH+]2)CC1 ZINC000153031974 188060292 /nfs/dbraw/zinc/06/02/92/188060292.db2.gz MJNTVXMMRXJJRB-CYBMUJFWSA-N 2 2 291.399 0.944 10 0 CCAELP CNC(=O)C[NH+]1CCC(CN(C)c2cc(C)[nH+]cn2)CC1 ZINC000301334057 354076337 /nfs/dbraw/zinc/07/63/37/354076337.db2.gz BLFRZOXEJBEBSR-UHFFFAOYSA-N 2 2 291.399 0.679 10 0 CCAELP O=C(NCC1([NH+]2CCOCC2)CC1)N[C@@H]1CCCC[NH2+]C1 ZINC000333745184 354787297 /nfs/dbraw/zinc/78/72/97/354787297.db2.gz JITXDGYRVCFSIL-CYBMUJFWSA-N 2 2 296.415 0.293 10 0 CCAELP CC[C@@H](C(=O)N[C@@H]1CCc2[nH+]ccn2C1)[NH+](C)C ZINC000362801913 138075007 /nfs/dbraw/zinc/07/50/07/138075007.db2.gz JJPYVGDIQXRJFV-MNOVXSKESA-N 2 2 250.346 0.654 10 0 CCAELP C[C@]1(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)CCCC[NH2+]1 ZINC000136203146 291354175 /nfs/dbraw/zinc/35/41/75/291354175.db2.gz GCYCGCRKZJWLIJ-UKRRQHHQSA-N 2 2 281.400 0.452 10 0 CCAELP [NH3+]CC[N@@H+]1CCCO[C@@H](c2ccc(CO)cc2)C1 ZINC000616597179 365378823 /nfs/dbraw/zinc/37/88/23/365378823.db2.gz AVZHKAZVNMYINA-CQSZACIVSA-N 2 2 250.342 0.901 10 0 CCAELP [NH3+]CC[N@H+]1CCCO[C@@H](c2ccc(CO)cc2)C1 ZINC000616597179 365378826 /nfs/dbraw/zinc/37/88/26/365378826.db2.gz AVZHKAZVNMYINA-CQSZACIVSA-N 2 2 250.342 0.901 10 0 CCAELP CO[C@@H]1C[N@H+](CCc2cnn(C)c2)[C@@](C)(C[NH3+])C1 ZINC000630368094 370069172 /nfs/dbraw/zinc/06/91/72/370069172.db2.gz QGSLJKJPLOZRAU-QWHCGFSZSA-N 2 2 252.362 0.401 10 0 CCAELP CO[C@@H]1C[N@@H+](CCc2cnn(C)c2)[C@@](C)(C[NH3+])C1 ZINC000630368094 370069174 /nfs/dbraw/zinc/06/91/74/370069174.db2.gz QGSLJKJPLOZRAU-QWHCGFSZSA-N 2 2 252.362 0.401 10 0 CCAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](CC(N)=O)C1 ZINC000195286488 389121873 /nfs/dbraw/zinc/12/18/73/389121873.db2.gz ZJRKSJFEUYSPPV-CYBMUJFWSA-N 2 2 262.357 0.321 10 0 CCAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](CC(N)=O)C1 ZINC000195286488 389121874 /nfs/dbraw/zinc/12/18/74/389121874.db2.gz ZJRKSJFEUYSPPV-CYBMUJFWSA-N 2 2 262.357 0.321 10 0 CCAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC000195286488 389121876 /nfs/dbraw/zinc/12/18/76/389121876.db2.gz ZJRKSJFEUYSPPV-CYBMUJFWSA-N 2 2 262.357 0.321 10 0 CCAELP C[C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C[C@H]1[NH3+] ZINC000333348246 389409834 /nfs/dbraw/zinc/40/98/34/389409834.db2.gz ZUUDXEGBFUZKBB-MRVWCRGKSA-N 2 2 281.400 0.435 10 0 CCAELP C[C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C[C@H]1[NH3+] ZINC000333348246 389409837 /nfs/dbraw/zinc/40/98/37/389409837.db2.gz ZUUDXEGBFUZKBB-MRVWCRGKSA-N 2 2 281.400 0.435 10 0 CCAELP CN(c1cc(N2CCC[C@H](CO)C2)nc[nH+]1)C1CC([NH3+])C1 ZINC000333920199 389449054 /nfs/dbraw/zinc/44/90/54/389449054.db2.gz PTMCKGUZJLSGAH-HIFPTAJRSA-N 2 2 291.399 0.611 10 0 CCAELP CN(c1cc(N2CCC[C@H](CO)C2)[nH+]cn1)C1CC([NH3+])C1 ZINC000333920199 389449059 /nfs/dbraw/zinc/44/90/59/389449059.db2.gz PTMCKGUZJLSGAH-HIFPTAJRSA-N 2 2 291.399 0.611 10 0 CCAELP C[N@@H+]1CCO[C@@H]2CCN(c3cc(NC4CC4)[nH+]cn3)C[C@@H]21 ZINC000334022899 389452544 /nfs/dbraw/zinc/45/25/44/389452544.db2.gz DVCYMPPKJWQJQX-QWHCGFSZSA-N 2 2 289.383 0.960 10 0 CCAELP C[N@H+]1CCO[C@@H]2CCN(c3cc(NC4CC4)[nH+]cn3)C[C@@H]21 ZINC000334022899 389452548 /nfs/dbraw/zinc/45/25/48/389452548.db2.gz DVCYMPPKJWQJQX-QWHCGFSZSA-N 2 2 289.383 0.960 10 0 CCAELP C(C[NH+]1CCCCC1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173948903 389512111 /nfs/dbraw/zinc/51/21/11/389512111.db2.gz OFKXQNIVTGLUPK-HNNXBMFYSA-N 2 2 267.417 0.879 10 0 CCAELP COC[C@@]1(C(=O)NCCCn2cc[nH+]c2)CCC[NH2+]1 ZINC000649276295 390544722 /nfs/dbraw/zinc/54/47/22/390544722.db2.gz JOKOHLKEXICTLB-CYBMUJFWSA-N 2 2 266.345 0.158 10 0 CCAELP CC(C)n1ccnc1C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000649409581 397606148 /nfs/dbraw/zinc/60/61/48/397606148.db2.gz UAWXWAGCLUDWLQ-UHFFFAOYSA-N 2 2 265.405 0.801 10 0 CCAELP CC(C)n1ccnc1C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000649409581 397606150 /nfs/dbraw/zinc/60/61/50/397606150.db2.gz UAWXWAGCLUDWLQ-UHFFFAOYSA-N 2 2 265.405 0.801 10 0 CCAELP O=c1oc2ccccc2n1CC[N@@H+]1CCC[NH2+]CC1 ZINC000037365253 173154351 /nfs/dbraw/zinc/15/43/51/173154351.db2.gz DHOCAAKXRVYSJC-UHFFFAOYSA-N 2 2 261.325 0.890 10 0 CCAELP O=c1oc2ccccc2n1CC[N@H+]1CCC[NH2+]CC1 ZINC000037365253 173154353 /nfs/dbraw/zinc/15/43/53/173154353.db2.gz DHOCAAKXRVYSJC-UHFFFAOYSA-N 2 2 261.325 0.890 10 0 CCAELP O=C(NCc1ccccn1)[C@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000038042927 174047450 /nfs/dbraw/zinc/04/74/50/174047450.db2.gz GIBFTJMQCLSMJE-OAHLLOKOSA-N 2 2 288.395 0.914 10 0 CCAELP O=C(NCc1ccccn1)[C@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000038042927 174047451 /nfs/dbraw/zinc/04/74/51/174047451.db2.gz GIBFTJMQCLSMJE-OAHLLOKOSA-N 2 2 288.395 0.914 10 0 CCAELP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC000038083330 174093016 /nfs/dbraw/zinc/09/30/16/174093016.db2.gz XKGHREMCAPGLPT-FVCCEPFGSA-N 2 2 274.430 0.739 10 0 CCAELP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC000038083330 174093019 /nfs/dbraw/zinc/09/30/19/174093019.db2.gz XKGHREMCAPGLPT-FVCCEPFGSA-N 2 2 274.430 0.739 10 0 CCAELP CC(C)(C)OC(=O)NCC[NH+](CCC[NH3+])CCC[NH3+] ZINC000038295152 174138748 /nfs/dbraw/zinc/13/87/48/174138748.db2.gz JNWREYGNBOOQOZ-UHFFFAOYSA-N 3 2 274.409 0.511 10 0 CCAELP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2F)C1 ZINC000071146051 176042091 /nfs/dbraw/zinc/04/20/91/176042091.db2.gz CGMIAKFSGYLSAL-SNVBAGLBSA-N 2 2 265.332 0.966 10 0 CCAELP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2F)C1 ZINC000071146051 176042092 /nfs/dbraw/zinc/04/20/92/176042092.db2.gz CGMIAKFSGYLSAL-SNVBAGLBSA-N 2 2 265.332 0.966 10 0 CCAELP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000094647185 544545107 /nfs/dbraw/zinc/54/51/07/544545107.db2.gz ZAMRILSAUIJNFH-NWDGAFQWSA-N 2 2 250.346 0.778 10 0 CCAELP C[C@H]1[NH2+]CCC[C@@H]1C(=O)N(C)Cc1[nH+]ccn1C ZINC000094648318 544545840 /nfs/dbraw/zinc/54/58/40/544545840.db2.gz FAVZQFHRMPWCQI-MNOVXSKESA-N 2 2 250.346 0.767 10 0 CCAELP CCOCC[N@@H+]1CCN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C ZINC000152467976 544657955 /nfs/dbraw/zinc/65/79/55/544657955.db2.gz YMVVQJXRULITOZ-KGLIPLIRSA-N 2 2 285.432 0.896 10 0 CCAELP CCOCC[N@H+]1CCN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C ZINC000152467976 544657957 /nfs/dbraw/zinc/65/79/57/544657957.db2.gz YMVVQJXRULITOZ-KGLIPLIRSA-N 2 2 285.432 0.896 10 0 CCAELP O[C@H]1C[NH2+]C[C@H]1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000262094966 544938772 /nfs/dbraw/zinc/93/87/72/544938772.db2.gz HVCULPPTSYPBOZ-RDJZCZTQSA-N 3 2 289.423 0.821 10 0 CCAELP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N1CCn2c[nH+]cc2C1 ZINC000333733635 279031982 /nfs/dbraw/zinc/03/19/82/279031982.db2.gz WNRYTCGBJJNRGB-JQWIXIFHSA-N 2 2 263.345 0.549 10 0 CCAELP C[N@H+]1C[C@@H]2C[NH+](CC(=O)NC(=O)NC(C)(C)C)C[C@@H]2C1 ZINC000193657889 290288306 /nfs/dbraw/zinc/28/83/06/290288306.db2.gz FMSFQMYWZHPKHN-PHIMTYICSA-N 2 2 282.388 0.104 10 0 CCAELP C[N@@H+]1C[C@@H]2C[NH+](CC(=O)NC(=O)NC(C)(C)C)C[C@@H]2C1 ZINC000193657889 290288307 /nfs/dbraw/zinc/28/83/07/290288307.db2.gz FMSFQMYWZHPKHN-PHIMTYICSA-N 2 2 282.388 0.104 10 0 CCAELP C[NH+]1C[C@@H]2C[N@@H+](CC(=O)NC(=O)NC(C)(C)C)C[C@@H]2C1 ZINC000193657889 290288308 /nfs/dbraw/zinc/28/83/08/290288308.db2.gz FMSFQMYWZHPKHN-PHIMTYICSA-N 2 2 282.388 0.104 10 0 CCAELP C[NH+]1C[C@@H]2C[N@H+](CC(=O)NC(=O)NC(C)(C)C)C[C@@H]2C1 ZINC000193657889 290288309 /nfs/dbraw/zinc/28/83/09/290288309.db2.gz FMSFQMYWZHPKHN-PHIMTYICSA-N 2 2 282.388 0.104 10 0 CCAELP C[N@@H+]1CCN(c2ccc(OC(F)F)cn2)[C@@H](C[NH3+])C1 ZINC000380943973 336040524 /nfs/dbraw/zinc/04/05/24/336040524.db2.gz RPAVGQHKAFBLDY-VIFPVBQESA-N 2 2 272.299 0.762 10 0 CCAELP C[N@H+]1CCN(c2ccc(OC(F)F)cn2)[C@@H](C[NH3+])C1 ZINC000380943973 336040525 /nfs/dbraw/zinc/04/05/25/336040525.db2.gz RPAVGQHKAFBLDY-VIFPVBQESA-N 2 2 272.299 0.762 10 0 CCAELP CC[N@H+](CC(=O)NC1CCOCC1)C1CC[NH2+]CC1 ZINC000062769209 520329784 /nfs/dbraw/zinc/32/97/84/520329784.db2.gz AOOADDAMCQZCDS-UHFFFAOYSA-N 2 2 269.389 0.356 10 0 CCAELP CC[N@@H+](CC(=O)NC1CCOCC1)C1CC[NH2+]CC1 ZINC000062769209 520329796 /nfs/dbraw/zinc/32/97/96/520329796.db2.gz AOOADDAMCQZCDS-UHFFFAOYSA-N 2 2 269.389 0.356 10 0 CCAELP CCC[N@H+](CC(=O)N(C)C)Cc1cc[nH+]c(NN)c1 ZINC000052722782 521531944 /nfs/dbraw/zinc/53/19/44/521531944.db2.gz QQXIAOXZMCRCMA-UHFFFAOYSA-N 2 2 265.361 0.667 10 0 CCAELP CCC[N@@H+](CC(=O)N(C)C)Cc1cc[nH+]c(NN)c1 ZINC000052722782 521531950 /nfs/dbraw/zinc/53/19/50/521531950.db2.gz QQXIAOXZMCRCMA-UHFFFAOYSA-N 2 2 265.361 0.667 10 0 CCAELP CCNC(=O)C[N@H+](CC)Cc1cccnc1C[NH3+] ZINC000061656742 521736889 /nfs/dbraw/zinc/73/68/89/521736889.db2.gz ZNHSLYJGVIYRKH-UHFFFAOYSA-N 2 2 250.346 0.498 10 0 CCAELP CCNC(=O)C[N@@H+](CC)Cc1cccnc1C[NH3+] ZINC000061656742 521736890 /nfs/dbraw/zinc/73/68/90/521736890.db2.gz ZNHSLYJGVIYRKH-UHFFFAOYSA-N 2 2 250.346 0.498 10 0 CCAELP C[C@H](C[NH3+])C[NH+]1CCN(CCn2cccn2)CC1 ZINC000049313899 524306803 /nfs/dbraw/zinc/30/68/03/524306803.db2.gz WJTTUXFWWWCBGH-CYBMUJFWSA-N 2 2 251.378 0.096 10 0 CCAELP Cn1ccnc1[C@@H]1OCC[C@H]1C[NH2+]CCn1cc[nH+]c1 ZINC000667766332 545155644 /nfs/dbraw/zinc/15/56/44/545155644.db2.gz XCNIISGOJPGYQC-QWHCGFSZSA-N 2 2 275.356 0.984 10 0 CCAELP CCOc1cccc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)n1 ZINC000263270702 535458272 /nfs/dbraw/zinc/45/82/72/535458272.db2.gz SDWUHCUVWKFZHM-PWSUYJOCSA-N 2 2 251.330 0.150 10 0 CCAELP COCC[N@@H+]1CCN(c2nc(N)cc(C)[nH+]2)C[C@H]1C ZINC000892354019 616377075 /nfs/dbraw/zinc/37/70/75/616377075.db2.gz HYBIMICZRQPLDK-LLVKDONJSA-N 2 2 265.361 0.524 10 0 CCAELP COCC[N@H+]1CCN(c2nc(N)cc(C)[nH+]2)C[C@H]1C ZINC000892354019 616377076 /nfs/dbraw/zinc/37/70/76/616377076.db2.gz HYBIMICZRQPLDK-LLVKDONJSA-N 2 2 265.361 0.524 10 0 CCAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CN1CC(=O)N(C)C1=O ZINC000182287934 638465084 /nfs/dbraw/zinc/46/50/84/638465084.db2.gz OGQLZVBPRQENGK-LBPRGKRZSA-N 2 2 291.355 0.507 10 0 CCAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CN1CC(=O)N(C)C1=O ZINC000182287934 638465088 /nfs/dbraw/zinc/46/50/88/638465088.db2.gz OGQLZVBPRQENGK-LBPRGKRZSA-N 2 2 291.355 0.507 10 0 CCAELP [NH3+][C@H]1CC[C@@H](C(=O)N2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000091545458 349466637 /nfs/dbraw/zinc/46/66/37/349466637.db2.gz XYFIXMSUHHGJHR-CABCVRRESA-N 2 2 288.395 0.853 10 0 CCAELP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC[NH+]1CCOCC1 ZINC000113575507 349816481 /nfs/dbraw/zinc/81/64/81/349816481.db2.gz HLGXANJUUOFAFY-UONOGXRCSA-N 2 2 296.415 0.197 10 0 CCAELP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCC[NH+]1CCOCC1 ZINC000113575507 349816485 /nfs/dbraw/zinc/81/64/85/349816485.db2.gz HLGXANJUUOFAFY-UONOGXRCSA-N 2 2 296.415 0.197 10 0 CCAELP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000113616818 349817671 /nfs/dbraw/zinc/81/76/71/349817671.db2.gz DCXBWAVPBCUMAP-MGPQQGTHSA-N 2 2 296.415 0.195 10 0 CCAELP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000113616818 349817676 /nfs/dbraw/zinc/81/76/76/349817676.db2.gz DCXBWAVPBCUMAP-MGPQQGTHSA-N 2 2 296.415 0.195 10 0 CCAELP C[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000113616818 349817678 /nfs/dbraw/zinc/81/76/78/349817678.db2.gz DCXBWAVPBCUMAP-MGPQQGTHSA-N 2 2 296.415 0.195 10 0 CCAELP C[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000113616818 349817682 /nfs/dbraw/zinc/81/76/82/349817682.db2.gz DCXBWAVPBCUMAP-MGPQQGTHSA-N 2 2 296.415 0.195 10 0 CCAELP C[C@H]1CCCN1c1cc(N2CC[NH+](C)CC2)nc(N)[nH+]1 ZINC000114195658 349824079 /nfs/dbraw/zinc/82/40/79/349824079.db2.gz MRYMAFDRVOMINU-NSHDSACASA-N 2 2 276.388 0.799 10 0 CCAELP COCC[N@@H+]1CCN(C(=O)NCCn2cc[nH+]c2)C[C@H]1C ZINC000117467524 349886133 /nfs/dbraw/zinc/88/61/33/349886133.db2.gz DHNHDYLXCODWSP-CYBMUJFWSA-N 2 2 295.387 0.245 10 0 CCAELP COCC[N@H+]1CCN(C(=O)NCCn2cc[nH+]c2)C[C@H]1C ZINC000117467524 349886134 /nfs/dbraw/zinc/88/61/34/349886134.db2.gz DHNHDYLXCODWSP-CYBMUJFWSA-N 2 2 295.387 0.245 10 0 CCAELP C[C@H]1C[C@@H](C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)CC[NH2+]1 ZINC000262334912 137038653 /nfs/dbraw/zinc/03/86/53/137038653.db2.gz FMVGMNYUJZAFGN-SGMGOOAPSA-N 2 2 281.400 0.354 10 0 CCAELP C[C@H]1C[C@@H](C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)CC[NH2+]1 ZINC000262334912 137038654 /nfs/dbraw/zinc/03/86/54/137038654.db2.gz FMVGMNYUJZAFGN-SGMGOOAPSA-N 2 2 281.400 0.354 10 0 CCAELP CC(C)c1cnc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)s1 ZINC000263193518 137060245 /nfs/dbraw/zinc/06/02/45/137060245.db2.gz IDRZEKREXABZKD-UWVGGRQHSA-N 2 2 255.387 0.936 10 0 CCAELP COc1c(C[NH2+]CCC[NH+]2CCC2)c(C)nn1C ZINC000535760160 290840433 /nfs/dbraw/zinc/84/04/33/290840433.db2.gz UKIBQPQZFODPMN-UHFFFAOYSA-N 2 2 252.362 0.923 10 0 CCAELP O=C(C[C@@H]1CCC[NH2+]C1)NCCCn1cc[nH+]c1 ZINC000054290648 348548098 /nfs/dbraw/zinc/54/80/98/348548098.db2.gz MIXLYUPRJSSKHG-LBPRGKRZSA-N 2 2 250.346 0.779 10 0 CCAELP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000067573039 348777783 /nfs/dbraw/zinc/77/77/83/348777783.db2.gz RNMCSRCJTZMUJW-GFCCVEGCSA-N 2 2 257.378 0.164 10 0 CCAELP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000067573039 348777786 /nfs/dbraw/zinc/77/77/86/348777786.db2.gz RNMCSRCJTZMUJW-GFCCVEGCSA-N 2 2 257.378 0.164 10 0 CCAELP CCNC(=O)C[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000136069851 350414248 /nfs/dbraw/zinc/41/42/48/350414248.db2.gz GIQSNFZHKHZEFG-CQSZACIVSA-N 2 2 282.432 0.224 10 0 CCAELP CCNC(=O)C[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000136069851 350414251 /nfs/dbraw/zinc/41/42/51/350414251.db2.gz GIQSNFZHKHZEFG-CQSZACIVSA-N 2 2 282.432 0.224 10 0 CCAELP CC(C)(C)CC[NH+]1CCN(C(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000165699678 350793039 /nfs/dbraw/zinc/79/30/39/350793039.db2.gz MZLYPXFILWRQDU-CYBMUJFWSA-N 2 2 283.416 0.555 10 0 CCAELP C[C@@H]1C[N@@H+](C2CC[NH+](CCCCO)CC2)CCO1 ZINC000171064708 350882744 /nfs/dbraw/zinc/88/27/44/350882744.db2.gz UJOYLQPPFSSUNH-CYBMUJFWSA-N 2 2 256.390 0.944 10 0 CCAELP C[C@@H]1C[N@H+](C2CC[NH+](CCCCO)CC2)CCO1 ZINC000171064708 350882746 /nfs/dbraw/zinc/88/27/46/350882746.db2.gz UJOYLQPPFSSUNH-CYBMUJFWSA-N 2 2 256.390 0.944 10 0 CCAELP CC[C@H]1CN([C@@H](C)C[NH+]2CCOCC2)CC[N@@H+]1CCOC ZINC000180477958 351286357 /nfs/dbraw/zinc/28/63/57/351286357.db2.gz XKZTXDSFPUGDHI-HOTGVXAUSA-N 2 2 299.459 0.750 10 0 CCAELP CC[C@H]1CN([C@@H](C)C[NH+]2CCOCC2)CC[N@H+]1CCOC ZINC000180477958 351286359 /nfs/dbraw/zinc/28/63/59/351286359.db2.gz XKZTXDSFPUGDHI-HOTGVXAUSA-N 2 2 299.459 0.750 10 0 CCAELP CC(C)[NH2+]CC[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000191495852 351761115 /nfs/dbraw/zinc/76/11/15/351761115.db2.gz ALFVMYXTNOWKFB-ZDUSSCGKSA-N 2 2 251.378 0.988 10 0 CCAELP CC(C)[NH2+]CC[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000191495852 351761118 /nfs/dbraw/zinc/76/11/18/351761118.db2.gz ALFVMYXTNOWKFB-ZDUSSCGKSA-N 2 2 251.378 0.988 10 0 CCAELP NC(=O)NC(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000195515675 351916156 /nfs/dbraw/zinc/91/61/56/351916156.db2.gz GOTKMNZHVLIHHY-JTQLQIEISA-N 2 2 277.328 0.010 10 0 CCAELP NC(=O)NC(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000195515675 351916158 /nfs/dbraw/zinc/91/61/58/351916158.db2.gz GOTKMNZHVLIHHY-JTQLQIEISA-N 2 2 277.328 0.010 10 0 CCAELP CCC[C@@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000236963101 352232936 /nfs/dbraw/zinc/23/29/36/352232936.db2.gz OTYGBNUFOOGAAK-NWDGAFQWSA-N 2 2 255.362 0.093 10 0 CCAELP CCC[C@@H]([NH3+])C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000236963101 352232937 /nfs/dbraw/zinc/23/29/37/352232937.db2.gz OTYGBNUFOOGAAK-NWDGAFQWSA-N 2 2 255.362 0.093 10 0 CCAELP CCC[C@H](C(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1)[NH+](C)C ZINC000245788550 352338712 /nfs/dbraw/zinc/33/87/12/352338712.db2.gz ILQZLZGQVLISIJ-KFWWJZLASA-N 2 2 297.443 0.896 10 0 CCAELP Cc1nc(C)n(C[C@H]2C[N@H+](CCn3cc[nH+]c3)CCO2)n1 ZINC000328603101 354234288 /nfs/dbraw/zinc/23/42/88/354234288.db2.gz HNWZBXANVLFKHI-CQSZACIVSA-N 2 2 290.371 0.492 10 0 CCAELP Cc1nc(C)n(C[C@H]2C[N@@H+](CCn3cc[nH+]c3)CCO2)n1 ZINC000328603101 354234290 /nfs/dbraw/zinc/23/42/90/354234290.db2.gz HNWZBXANVLFKHI-CQSZACIVSA-N 2 2 290.371 0.492 10 0 CCAELP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000333012299 354744113 /nfs/dbraw/zinc/74/41/13/354744113.db2.gz BLLYTUZJONOFGQ-NEPJUHHUSA-N 2 2 262.357 0.971 10 0 CCAELP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000333012299 354744114 /nfs/dbraw/zinc/74/41/14/354744114.db2.gz BLLYTUZJONOFGQ-NEPJUHHUSA-N 2 2 262.357 0.971 10 0 CCAELP CO[C@@H]1C[NH2+][C@@H](C(=O)N(C)CCCn2cc[nH+]c2)C1 ZINC000364216450 357098309 /nfs/dbraw/zinc/09/83/09/357098309.db2.gz SICBWFRXDJOJGJ-NWDGAFQWSA-N 2 2 266.345 0.109 10 0 CCAELP OCC[N@@H+]1CCC[C@@H]([NH2+]Cc2cccc(O)c2)C1 ZINC000384364506 357720693 /nfs/dbraw/zinc/72/06/93/357720693.db2.gz IJNNINPUWGWUKS-CYBMUJFWSA-N 2 2 250.342 0.939 10 0 CCAELP OCC[N@H+]1CCC[C@@H]([NH2+]Cc2cccc(O)c2)C1 ZINC000384364506 357720699 /nfs/dbraw/zinc/72/06/99/357720699.db2.gz IJNNINPUWGWUKS-CYBMUJFWSA-N 2 2 250.342 0.939 10 0 CCAELP O=C([C@@H]1COCC[NH2+]1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000088372408 296056635 /nfs/dbraw/zinc/05/66/35/296056635.db2.gz YTFFDMDJBNIHHU-OLZOCXBDSA-N 2 2 267.373 0.062 10 0 CCAELP CC[NH+](CC)CC(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000275767152 193124000 /nfs/dbraw/zinc/12/40/00/193124000.db2.gz XKQLEUJWFCSGIU-ZDUSSCGKSA-N 2 2 293.415 0.577 10 0 CCAELP CO[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)[C@](C)(C[NH3+])C1 ZINC000630367055 370067896 /nfs/dbraw/zinc/06/78/96/370067896.db2.gz ZFILXWLWLYPBFT-ZFWWWQNUSA-N 2 2 277.368 0.724 10 0 CCAELP CO[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)[C@](C)(C[NH3+])C1 ZINC000630367055 370067899 /nfs/dbraw/zinc/06/78/99/370067899.db2.gz ZFILXWLWLYPBFT-ZFWWWQNUSA-N 2 2 277.368 0.724 10 0 CCAELP [NH3+]C[C@@H]1CC[C@@H](NC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000333311585 205207444 /nfs/dbraw/zinc/20/74/44/205207444.db2.gz RXHVTOBHZABUGQ-RBSFLKMASA-N 2 2 295.427 0.731 10 0 CCAELP [NH3+]C[C@@H]1CC[C@@H](NC(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000333311585 205207448 /nfs/dbraw/zinc/20/74/48/205207448.db2.gz RXHVTOBHZABUGQ-RBSFLKMASA-N 2 2 295.427 0.731 10 0 CCAELP C[C@H](O)C[N@@H+]1CCN(CCC[NH+]2CCOCC2)C[C@H]1C ZINC000247562552 285054696 /nfs/dbraw/zinc/05/46/96/285054696.db2.gz QYPWZPMDHQDRIU-CABCVRRESA-N 2 2 285.432 0.096 10 0 CCAELP C[C@H](O)C[N@H+]1CCN(CCC[NH+]2CCOCC2)C[C@H]1C ZINC000247562552 285054697 /nfs/dbraw/zinc/05/46/97/285054697.db2.gz QYPWZPMDHQDRIU-CABCVRRESA-N 2 2 285.432 0.096 10 0 CCAELP [NH3+]C[C@H]1CC[C@@H](C(=O)NCc2ccn3cc[nH+]c3c2)O1 ZINC000261676350 285156059 /nfs/dbraw/zinc/15/60/59/285156059.db2.gz GRKQSDVNAYWBEI-NEPJUHHUSA-N 2 2 274.324 0.457 10 0 CCAELP CCc1cc(N2CC[NH+]([C@@H](C)C(N)=O)CC2)nc(C)[nH+]1 ZINC000302056175 389063197 /nfs/dbraw/zinc/06/31/97/389063197.db2.gz AGGVWBMMKOJIFG-JTQLQIEISA-N 2 2 277.372 0.343 10 0 CCAELP CCOCC[N@@H+]1CCN(c2cc[nH+]cc2C(N)=O)C[C@H]1C ZINC000302206247 389064982 /nfs/dbraw/zinc/06/49/82/389064982.db2.gz DOTISAGFRSLMRZ-GFCCVEGCSA-N 2 2 292.383 0.728 10 0 CCAELP CCOCC[N@H+]1CCN(c2cc[nH+]cc2C(N)=O)C[C@H]1C ZINC000302206247 389064984 /nfs/dbraw/zinc/06/49/84/389064984.db2.gz DOTISAGFRSLMRZ-GFCCVEGCSA-N 2 2 292.383 0.728 10 0 CCAELP CC(C)CNC(=O)[C@H](C)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193636173 389075758 /nfs/dbraw/zinc/07/57/58/389075758.db2.gz UDVFJISFYHEDAB-RWMBFGLXSA-N 2 2 253.390 0.641 10 0 CCAELP CC(C)CNC(=O)[C@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193636173 389075763 /nfs/dbraw/zinc/07/57/63/389075763.db2.gz UDVFJISFYHEDAB-RWMBFGLXSA-N 2 2 253.390 0.641 10 0 CCAELP CC(C)CNC(=O)[C@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193636173 389075766 /nfs/dbraw/zinc/07/57/66/389075766.db2.gz UDVFJISFYHEDAB-RWMBFGLXSA-N 2 2 253.390 0.641 10 0 CCAELP CC(C)CNC(=O)[C@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193636173 389075769 /nfs/dbraw/zinc/07/57/69/389075769.db2.gz UDVFJISFYHEDAB-RWMBFGLXSA-N 2 2 253.390 0.641 10 0 CCAELP CCC[C@H](C(=O)NC[C@H]1C[N@H+](C)CCO1)[NH+](C)C ZINC000162514672 389420183 /nfs/dbraw/zinc/42/01/83/389420183.db2.gz UKWNWVWKUUTVBA-NWDGAFQWSA-N 2 2 257.378 0.164 10 0 CCAELP CCC[C@H](C(=O)NC[C@H]1C[N@@H+](C)CCO1)[NH+](C)C ZINC000162514672 389420185 /nfs/dbraw/zinc/42/01/85/389420185.db2.gz UKWNWVWKUUTVBA-NWDGAFQWSA-N 2 2 257.378 0.164 10 0 CCAELP CCC[C@H](C(=O)NCC[N@@H+]1CCOCC1(C)C)[NH+](C)C ZINC000179195226 389645030 /nfs/dbraw/zinc/64/50/30/389645030.db2.gz UUWHIGKBOOMECH-CYBMUJFWSA-N 2 2 285.432 0.944 10 0 CCAELP CCC[C@H](C(=O)NCC[N@H+]1CCOCC1(C)C)[NH+](C)C ZINC000179195226 389645035 /nfs/dbraw/zinc/64/50/35/389645035.db2.gz UUWHIGKBOOMECH-CYBMUJFWSA-N 2 2 285.432 0.944 10 0 CCAELP CC[NH+]1CCC(CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000645720851 390479080 /nfs/dbraw/zinc/47/90/80/390479080.db2.gz KQQLQNNXACFLTC-NSHDSACASA-N 2 2 275.343 0.832 10 0 CCAELP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCC[C@@H]1[N@@H+]1CC[C@@H](O)C1 ZINC000643960058 390607489 /nfs/dbraw/zinc/60/74/89/390607489.db2.gz MZSOJUYGKLRBQA-KFWWJZLASA-N 3 2 278.400 0.540 10 0 CCAELP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCC[C@@H]1[N@H+]1CC[C@@H](O)C1 ZINC000643960058 390607493 /nfs/dbraw/zinc/60/74/93/390607493.db2.gz MZSOJUYGKLRBQA-KFWWJZLASA-N 3 2 278.400 0.540 10 0 CCAELP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1 ZINC000643960058 390607498 /nfs/dbraw/zinc/60/74/98/390607498.db2.gz MZSOJUYGKLRBQA-KFWWJZLASA-N 2 2 278.400 0.540 10 0 CCAELP O=C(Nc1cccc(-c2[nH]cc[nH+]2)c1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000262519535 131229274 /nfs/dbraw/zinc/22/92/74/131229274.db2.gz NPMMBVWXZXQSCQ-NEPJUHHUSA-N 2 2 272.308 0.738 10 0 CCAELP COc1c(O)cccc1C[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000262084056 143936821 /nfs/dbraw/zinc/93/68/21/143936821.db2.gz FUNZJOBUCUSUHJ-PWSUYJOCSA-N 2 2 252.314 0.071 10 0 CCAELP CC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)N2CCOCC2)C1 ZINC000385802090 397500308 /nfs/dbraw/zinc/50/03/08/397500308.db2.gz LZAIEMNNCSZGOU-CYBMUJFWSA-N 2 2 255.406 0.781 10 0 CCAELP CC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)N2CCOCC2)C1 ZINC000385802090 397500310 /nfs/dbraw/zinc/50/03/10/397500310.db2.gz LZAIEMNNCSZGOU-CYBMUJFWSA-N 2 2 255.406 0.781 10 0 CCAELP CC[C@@H]1CN([C@@H](C)C[NH+]2CCOCC2)CC[N@@H+]1C[C@@H](C)O ZINC000180477811 287207523 /nfs/dbraw/zinc/20/75/23/287207523.db2.gz VKSPZBKDUHNWGA-ARFHVFGLSA-N 2 2 299.459 0.484 10 0 CCAELP CC[C@@H]1CN([C@@H](C)C[NH+]2CCOCC2)CC[N@H+]1C[C@@H](C)O ZINC000180477811 287207527 /nfs/dbraw/zinc/20/75/27/287207527.db2.gz VKSPZBKDUHNWGA-ARFHVFGLSA-N 2 2 299.459 0.484 10 0 CCAELP Nc1cc[nH+]cc1C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000212210275 411734623 /nfs/dbraw/zinc/73/46/23/411734623.db2.gz LRWZCDMJHPVMPU-NSHDSACASA-N 2 2 276.340 0.211 10 0 CCAELP [NH3+][C@H](C(=O)N1CC[C@H]([NH+]2CCOCC2)C1)C1CCC1 ZINC000398953507 411774706 /nfs/dbraw/zinc/77/47/06/411774706.db2.gz GAFSHYCZEWPWPL-STQMWFEESA-N 2 2 267.373 0.047 10 0 CCAELP C[C@H]1CC[C@H](C(=O)NCCCn2cc[nH+]c2)C[NH2+]1 ZINC000020506420 171228663 /nfs/dbraw/zinc/22/86/63/171228663.db2.gz AKIVQQFOUNZMMT-RYUDHWBXSA-N 2 2 250.346 0.778 10 0 CCAELP O=C(Nc1cnccn1)[C@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000038043262 174050061 /nfs/dbraw/zinc/05/00/61/174050061.db2.gz VPACMQYCIFDLJR-GFCCVEGCSA-N 2 2 275.356 0.632 10 0 CCAELP O=C(Nc1cnccn1)[C@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000038043262 174050062 /nfs/dbraw/zinc/05/00/62/174050062.db2.gz VPACMQYCIFDLJR-GFCCVEGCSA-N 2 2 275.356 0.632 10 0 CCAELP CC[NH+]1CCC([NH2+][C@H]2CC(=O)N(C(C)C)C2=O)CC1 ZINC000038098317 174113786 /nfs/dbraw/zinc/11/37/86/174113786.db2.gz ACJPNJSNADLMCV-LBPRGKRZSA-N 2 2 267.373 0.596 10 0 CCAELP COCC[N@H+](CCC[NH3+])[C@@H](C)C(=O)NCC(C)C ZINC000071224756 176088855 /nfs/dbraw/zinc/08/88/55/176088855.db2.gz YXUFTCTUNFPWQU-LBPRGKRZSA-N 2 2 259.394 0.444 10 0 CCAELP COCC[N@@H+](CCC[NH3+])[C@@H](C)C(=O)NCC(C)C ZINC000071224756 176088856 /nfs/dbraw/zinc/08/88/56/176088856.db2.gz YXUFTCTUNFPWQU-LBPRGKRZSA-N 2 2 259.394 0.444 10 0 CCAELP C[N@H+](Cc1ccccc1)[C@H](C[NH3+])CN1CCOCC1 ZINC000076678783 177057017 /nfs/dbraw/zinc/05/70/17/177057017.db2.gz MYHPOQBPIODHOB-OAHLLOKOSA-N 2 2 263.385 0.778 10 0 CCAELP C[N@@H+](Cc1ccccc1)[C@H](C[NH3+])CN1CCOCC1 ZINC000076678783 177057020 /nfs/dbraw/zinc/05/70/20/177057020.db2.gz MYHPOQBPIODHOB-OAHLLOKOSA-N 2 2 263.385 0.778 10 0 CCAELP COC(=O)C1CC[NH+]([C@@H]2COC[C@@H]2C[NH+](C)C)CC1 ZINC000725273969 545889120 /nfs/dbraw/zinc/88/91/20/545889120.db2.gz ZKTDQMQAKCBNIO-QWHCGFSZSA-N 2 2 270.373 0.448 10 0 CCAELP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000091669662 544527810 /nfs/dbraw/zinc/52/78/10/544527810.db2.gz SSIRWLVZNHCYHQ-STQMWFEESA-N 2 2 271.405 0.444 10 0 CCAELP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000091669662 544527813 /nfs/dbraw/zinc/52/78/13/544527813.db2.gz SSIRWLVZNHCYHQ-STQMWFEESA-N 2 2 271.405 0.444 10 0 CCAELP CC(C)[C@@H]([NH3+])CC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000136325651 544638136 /nfs/dbraw/zinc/63/81/36/544638136.db2.gz XBWFMVFVXXRXKQ-NEPJUHHUSA-N 2 2 257.378 0.197 10 0 CCAELP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)NCC[NH+](C)C)C2 ZINC000163973803 544717681 /nfs/dbraw/zinc/71/76/81/544717681.db2.gz FRJWOLFQUBUSGA-JTQLQIEISA-N 2 2 250.346 0.501 10 0 CCAELP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)NCC[NH+](C)C)CC2 ZINC000163973803 544717686 /nfs/dbraw/zinc/71/76/86/544717686.db2.gz FRJWOLFQUBUSGA-JTQLQIEISA-N 2 2 250.346 0.501 10 0 CCAELP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261754774 544936427 /nfs/dbraw/zinc/93/64/27/544936427.db2.gz NAUXKTUNMCKKFQ-JHJVBQTASA-N 2 2 269.389 0.198 10 0 CCAELP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261754774 544936431 /nfs/dbraw/zinc/93/64/31/544936431.db2.gz NAUXKTUNMCKKFQ-JHJVBQTASA-N 2 2 269.389 0.198 10 0 CCAELP COc1cc[nH+]c(CN2C[C@H](C)[C@H]([NH3+])C2)c1OC ZINC000300087635 544979284 /nfs/dbraw/zinc/97/92/84/544979284.db2.gz NCBJFZHFIHMSKB-VHSXEESVSA-N 2 2 251.330 0.878 10 0 CCAELP CN1C(=O)C[C@H]([N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1=O ZINC000246246686 277013963 /nfs/dbraw/zinc/01/39/63/277013963.db2.gz DVYUQXWHEORNQS-UBHSHLNASA-N 2 2 291.395 0.692 10 0 CCAELP CN1C(=O)C[C@H]([N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1=O ZINC000246246686 277013964 /nfs/dbraw/zinc/01/39/64/277013964.db2.gz DVYUQXWHEORNQS-UBHSHLNASA-N 2 2 291.395 0.692 10 0 CCAELP CN1C(=O)C[C@H]([NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1=O ZINC000246246686 277013965 /nfs/dbraw/zinc/01/39/65/277013965.db2.gz DVYUQXWHEORNQS-UBHSHLNASA-N 2 2 291.395 0.692 10 0 CCAELP CN1C(=O)C[C@H]([NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1=O ZINC000246246686 277013966 /nfs/dbraw/zinc/01/39/66/277013966.db2.gz DVYUQXWHEORNQS-UBHSHLNASA-N 2 2 291.395 0.692 10 0 CCAELP CC[N@H+](CC(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1)C1CC1 ZINC000246248475 279052084 /nfs/dbraw/zinc/05/20/84/279052084.db2.gz IWOIEELBWLEPBK-HIFRSBDPSA-N 2 2 295.427 0.650 10 0 CCAELP CC[N@@H+](CC(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1)C1CC1 ZINC000246248475 279052087 /nfs/dbraw/zinc/05/20/87/279052087.db2.gz IWOIEELBWLEPBK-HIFRSBDPSA-N 2 2 295.427 0.650 10 0 CCAELP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000110371406 279180459 /nfs/dbraw/zinc/18/04/59/279180459.db2.gz TWQVPBSWQIWIIO-KBPBESRZSA-N 2 2 255.406 0.766 10 0 CCAELP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000110371406 279180460 /nfs/dbraw/zinc/18/04/60/279180460.db2.gz TWQVPBSWQIWIIO-KBPBESRZSA-N 2 2 255.406 0.766 10 0 CCAELP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000247478347 279272029 /nfs/dbraw/zinc/27/20/29/279272029.db2.gz IWKJQSLGNBYNPQ-KGLIPLIRSA-N 2 2 298.431 0.491 10 0 CCAELP CC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000247478347 279272030 /nfs/dbraw/zinc/27/20/30/279272030.db2.gz IWKJQSLGNBYNPQ-KGLIPLIRSA-N 2 2 298.431 0.491 10 0 CCAELP CC[NH+]1CCCC[C@@H]1CNC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000247478347 279272031 /nfs/dbraw/zinc/27/20/31/279272031.db2.gz IWKJQSLGNBYNPQ-KGLIPLIRSA-N 2 2 298.431 0.491 10 0 CCAELP CC[NH+]1CCCC[C@@H]1CNC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000247478347 279272032 /nfs/dbraw/zinc/27/20/32/279272032.db2.gz IWKJQSLGNBYNPQ-KGLIPLIRSA-N 2 2 298.431 0.491 10 0 CCAELP CC[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CC[NH2+]CC2)CCO1 ZINC000038043188 281144010 /nfs/dbraw/zinc/14/40/10/281144010.db2.gz HXZLYRASXHGGIB-LSDHHAIUSA-N 2 2 295.427 0.840 10 0 CCAELP CC[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CC[NH2+]CC2)CCO1 ZINC000038043188 281144013 /nfs/dbraw/zinc/14/40/13/281144013.db2.gz HXZLYRASXHGGIB-LSDHHAIUSA-N 2 2 295.427 0.840 10 0 CCAELP CC[C@H](C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1)[NH+](C)C ZINC000164416002 536091219 /nfs/dbraw/zinc/09/12/19/536091219.db2.gz QQIGDTZBSIYAGU-BFHYXJOUSA-N 2 2 283.416 0.506 10 0 CCAELP CCC[NH+]1CCN(CC[C@H]([NH2+]CC)C(=O)OC)CC1 ZINC000062439645 519858608 /nfs/dbraw/zinc/85/86/08/519858608.db2.gz MSNARXFISCDXFL-ZDUSSCGKSA-N 2 2 271.405 0.555 10 0 CCAELP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CCS(=O)(=O)C1 ZINC000054628429 521957458 /nfs/dbraw/zinc/95/74/58/521957458.db2.gz ORZPWARZYPBKQI-WODVXLOZSA-N 2 2 272.414 0.636 10 0 CCAELP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CCS(=O)(=O)C1 ZINC000054628429 521957465 /nfs/dbraw/zinc/95/74/65/521957465.db2.gz ORZPWARZYPBKQI-WODVXLOZSA-N 2 2 272.414 0.636 10 0 CCAELP CC[C@@](C)(C[NH2+]C)C[NH+]1CCN(CC[NH+](C)C)CC1 ZINC000061653737 523638924 /nfs/dbraw/zinc/63/89/24/523638924.db2.gz LXZRLOJLAHKEKV-HNNXBMFYSA-N 3 2 270.465 0.801 10 0 CCAELP CCn1nc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)c2ccccc21 ZINC000262148707 523678961 /nfs/dbraw/zinc/67/89/61/523678961.db2.gz QSQUWOFXMQLLBN-IAQYHMDHSA-N 2 2 274.368 0.726 10 0 CCAELP C[C@H](CC[NH2+]C1CC1)[N@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000052482987 524193363 /nfs/dbraw/zinc/19/33/63/524193363.db2.gz KEDNHWBIDRTWGA-ZYHUDNBSSA-N 2 2 260.403 0.636 10 0 CCAELP C[C@H](CC[NH2+]C1CC1)[N@@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000052482987 524193369 /nfs/dbraw/zinc/19/33/69/524193369.db2.gz KEDNHWBIDRTWGA-ZYHUDNBSSA-N 2 2 260.403 0.636 10 0 CCAELP NC(=O)[C@H]([NH3+])CC[NH+]1CCN(c2ccccc2)CC1 ZINC000062437045 526993515 /nfs/dbraw/zinc/99/35/15/526993515.db2.gz MHPUGPLNABVYAU-CYBMUJFWSA-N 2 2 262.357 0.011 10 0 CCAELP O=S1(=O)CC[C@@H](C[NH2+]CCCn2cc[nH+]c2)C1 ZINC000049328047 527308108 /nfs/dbraw/zinc/30/81/08/527308108.db2.gz CTIMRZGXSIHIEZ-NSHDSACASA-N 2 2 257.359 0.298 10 0 CCAELP O=S1(=O)CC[C@H](C[NH2+]CCCn2cc[nH+]c2)C1 ZINC000049328049 527311452 /nfs/dbraw/zinc/31/14/52/527311452.db2.gz CTIMRZGXSIHIEZ-LLVKDONJSA-N 2 2 257.359 0.298 10 0 CCAELP C[N@H+](C1CCN(CC[NH3+])CC1)C1CC[NH+](C)CC1 ZINC000260164296 570272363 /nfs/dbraw/zinc/27/23/63/570272363.db2.gz RNDQMJSUWAKXPF-UHFFFAOYSA-N 3 2 254.422 0.436 10 0 CCAELP C[N@@H+](C1CCN(CC[NH3+])CC1)C1CC[NH+](C)CC1 ZINC000260164296 570272366 /nfs/dbraw/zinc/27/23/66/570272366.db2.gz RNDQMJSUWAKXPF-UHFFFAOYSA-N 3 2 254.422 0.436 10 0 CCAELP C[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CC(N)=O)C2)ccn1 ZINC000886068642 615953229 /nfs/dbraw/zinc/95/32/29/615953229.db2.gz FXBOMJVBHWZRFZ-CYBMUJFWSA-N 2 2 278.356 0.082 10 0 CCAELP C[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CC(N)=O)C2)ccn1 ZINC000886068642 615953230 /nfs/dbraw/zinc/95/32/30/615953230.db2.gz FXBOMJVBHWZRFZ-CYBMUJFWSA-N 2 2 278.356 0.082 10 0 CCAELP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1C[C@@H](O)[C@@H]1n1cccn1 ZINC000888076318 616030800 /nfs/dbraw/zinc/03/08/00/616030800.db2.gz YUYQIYCPORKRMK-NWANDNLSSA-N 2 2 287.367 0.808 10 0 CCAELP C[N@@H+]1CCO[C@H](CNC(=O)N2CC[NH+](CC3CC3)CC2)C1 ZINC000105281262 349721658 /nfs/dbraw/zinc/72/16/58/349721658.db2.gz IWSQLMDEKNFFMF-CQSZACIVSA-N 2 2 296.415 0.054 10 0 CCAELP C[N@H+]1CCO[C@H](CNC(=O)N2CC[NH+](CC3CC3)CC2)C1 ZINC000105281262 349721661 /nfs/dbraw/zinc/72/16/61/349721661.db2.gz IWSQLMDEKNFFMF-CQSZACIVSA-N 2 2 296.415 0.054 10 0 CCAELP O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1cccc(-n2cc[nH+]c2)c1 ZINC000262363497 137040046 /nfs/dbraw/zinc/04/00/46/137040046.db2.gz VITQTJSPDVFTRL-GXTWGEPZSA-N 2 2 286.335 0.182 10 0 CCAELP C[C@]1(C[NH+]2CCN(Cc3ccon3)CC2)CC[NH2+]C1 ZINC000261742031 137017746 /nfs/dbraw/zinc/01/77/46/137017746.db2.gz INAOCWOPPQSRLO-AWEZNQCLSA-N 2 2 264.373 0.792 10 0 CCAELP COc1cc2c(cc1C[NH2+]C[C@H]1C[NH2+]C[C@H]1O)OCO2 ZINC000263212697 137060353 /nfs/dbraw/zinc/06/03/53/137060353.db2.gz KLVSZONAVPUJLS-WDEREUQCSA-N 2 2 280.324 0.094 10 0 CCAELP O=C(C[C@H]1CCC[NH2+]1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062976739 348674449 /nfs/dbraw/zinc/67/44/49/348674449.db2.gz BYXPKTNPTCACEK-OLZOCXBDSA-N 2 2 267.373 0.062 10 0 CCAELP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000063466448 348685880 /nfs/dbraw/zinc/68/58/80/348685880.db2.gz RNMCSRCJTZMUJW-LBPRGKRZSA-N 2 2 257.378 0.164 10 0 CCAELP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000063466448 348685882 /nfs/dbraw/zinc/68/58/82/348685882.db2.gz RNMCSRCJTZMUJW-LBPRGKRZSA-N 2 2 257.378 0.164 10 0 CCAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](CCC[NH3+])CC2)C1 ZINC000080749508 349227534 /nfs/dbraw/zinc/22/75/34/349227534.db2.gz VAMIGIAPTJHETK-OAHLLOKOSA-N 3 2 284.448 0.062 10 0 CCAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](CCC[NH3+])CC2)C1 ZINC000080749508 349227538 /nfs/dbraw/zinc/22/75/38/349227538.db2.gz VAMIGIAPTJHETK-OAHLLOKOSA-N 3 2 284.448 0.062 10 0 CCAELP C[C@H](CNC(=O)NC[C@H](C)[N@H+](C)C1CC1)[NH+]1CCOCC1 ZINC000105124361 186043051 /nfs/dbraw/zinc/04/30/51/186043051.db2.gz BOBMCDYLMCIAGP-QWHCGFSZSA-N 2 2 298.431 0.489 10 0 CCAELP C[C@H](CNC(=O)NC[C@H](C)[N@@H+](C)C1CC1)[NH+]1CCOCC1 ZINC000105124361 186043052 /nfs/dbraw/zinc/04/30/52/186043052.db2.gz BOBMCDYLMCIAGP-QWHCGFSZSA-N 2 2 298.431 0.489 10 0 CCAELP CCC[C@@H](C(=O)NC[C@@H](C)[NH+]1CCOCC1)[NH+](C)C ZINC000161512511 350723193 /nfs/dbraw/zinc/72/31/93/350723193.db2.gz MLAFGEQBVIFLBY-OLZOCXBDSA-N 2 2 271.405 0.554 10 0 CCAELP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCC[NH+]1CCOCC1 ZINC000176368251 351171086 /nfs/dbraw/zinc/17/10/86/351171086.db2.gz AFCMURBAALVAPH-AWEZNQCLSA-N 2 2 298.431 0.444 10 0 CCAELP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NCC[NH+]1CCOCC1 ZINC000176368251 351171087 /nfs/dbraw/zinc/17/10/87/351171087.db2.gz AFCMURBAALVAPH-AWEZNQCLSA-N 2 2 298.431 0.444 10 0 CCAELP C[C@H](C(=O)NC[C@@H]1C[N@@H+](C)CCO1)[NH+]1CCCCCC1 ZINC000175795032 351143594 /nfs/dbraw/zinc/14/35/94/351143594.db2.gz CLPPWQVVWBWLLA-ZIAGYGMSSA-N 2 2 283.416 0.698 10 0 CCAELP C[N@H+]1C[C@@H]2C[NH+](CCc3nc4ccccc4c(=O)[nH]3)C[C@@H]2C1 ZINC000193640345 351838588 /nfs/dbraw/zinc/83/85/88/351838588.db2.gz HBLOANWNXKKCTI-BETUJISGSA-N 2 2 298.390 0.959 10 0 CCAELP C[N@@H+]1C[C@@H]2C[NH+](CCc3nc4ccccc4c(=O)[nH]3)C[C@@H]2C1 ZINC000193640345 351838591 /nfs/dbraw/zinc/83/85/91/351838591.db2.gz HBLOANWNXKKCTI-BETUJISGSA-N 2 2 298.390 0.959 10 0 CCAELP C[NH+]1C[C@@H]2C[N@@H+](CCc3nc4ccccc4c(=O)[nH]3)C[C@@H]2C1 ZINC000193640345 351838595 /nfs/dbraw/zinc/83/85/95/351838595.db2.gz HBLOANWNXKKCTI-BETUJISGSA-N 2 2 298.390 0.959 10 0 CCAELP C[NH+]1C[C@@H]2C[N@H+](CCc3nc4ccccc4c(=O)[nH]3)C[C@@H]2C1 ZINC000193640345 351838598 /nfs/dbraw/zinc/83/85/98/351838598.db2.gz HBLOANWNXKKCTI-BETUJISGSA-N 2 2 298.390 0.959 10 0 CCAELP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@@H]2C[NH+](C)CCO2)C1 ZINC000247012208 352392847 /nfs/dbraw/zinc/39/28/47/352392847.db2.gz HEDQNVGTTGYACA-MGPQQGTHSA-N 2 2 298.431 0.345 10 0 CCAELP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@@H]2C[NH+](C)CCO2)C1 ZINC000247012208 352392850 /nfs/dbraw/zinc/39/28/50/352392850.db2.gz HEDQNVGTTGYACA-MGPQQGTHSA-N 2 2 298.431 0.345 10 0 CCAELP CC(C)[NH+]1C[C@@H](C)[C@H](NC(=O)NC[C@@H]2C[N@H+](C)CCO2)C1 ZINC000247012208 352392854 /nfs/dbraw/zinc/39/28/54/352392854.db2.gz HEDQNVGTTGYACA-MGPQQGTHSA-N 2 2 298.431 0.345 10 0 CCAELP CC(C)[NH+]1C[C@@H](C)[C@H](NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000247012208 352392856 /nfs/dbraw/zinc/39/28/56/352392856.db2.gz HEDQNVGTTGYACA-MGPQQGTHSA-N 2 2 298.431 0.345 10 0 CCAELP COc1c(N)[nH+]cnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000250281914 352503546 /nfs/dbraw/zinc/50/35/46/352503546.db2.gz MFHJBUHMTIODIU-JTQLQIEISA-N 2 2 263.345 0.742 10 0 CCAELP COc1c(N)[nH+]cnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC000250281914 352503549 /nfs/dbraw/zinc/50/35/49/352503549.db2.gz MFHJBUHMTIODIU-JTQLQIEISA-N 2 2 263.345 0.742 10 0 CCAELP C[C@H]1OCC[NH2+][C@@H]1C(=O)NCCCCn1cc[nH+]c1 ZINC000328077521 354230557 /nfs/dbraw/zinc/23/05/57/354230557.db2.gz ABJITKWIJUOUHD-NEPJUHHUSA-N 2 2 266.345 0.156 10 0 CCAELP C[C@H]1COCC[N@@H+]1CCNc1ncnc2c1C[NH+](C)CC2 ZINC000329033892 202161832 /nfs/dbraw/zinc/16/18/32/202161832.db2.gz BTOFUPBRURYLKY-LBPRGKRZSA-N 2 2 291.399 0.019 10 0 CCAELP C[C@H]1COCC[N@H+]1CCNc1ncnc2c1C[NH+](C)CC2 ZINC000329033892 202161836 /nfs/dbraw/zinc/16/18/36/202161836.db2.gz BTOFUPBRURYLKY-LBPRGKRZSA-N 2 2 291.399 0.019 10 0 CCAELP C[C@H]1COCC[NH+]1CCNc1ncnc2c1C[N@H+](C)CC2 ZINC000329033892 202161840 /nfs/dbraw/zinc/16/18/40/202161840.db2.gz BTOFUPBRURYLKY-LBPRGKRZSA-N 2 2 291.399 0.019 10 0 CCAELP C[C@H]1COCC[NH+]1CCNc1ncnc2c1C[N@@H+](C)CC2 ZINC000329033892 202161843 /nfs/dbraw/zinc/16/18/43/202161843.db2.gz BTOFUPBRURYLKY-LBPRGKRZSA-N 2 2 291.399 0.019 10 0 CCAELP OCC[NH+]1CCC([NH2+]Cc2cccc3c2OCO3)CC1 ZINC000399001046 357780339 /nfs/dbraw/zinc/78/03/39/357780339.db2.gz CEDNIDYTUXIBFH-UHFFFAOYSA-N 2 2 278.352 0.962 10 0 CCAELP Cn1cc(C[N@@H+]2CCCN(Cc3c[nH+]cn3C)CC2)cn1 ZINC000177056584 189024748 /nfs/dbraw/zinc/02/47/48/189024748.db2.gz JRPCTOXUKCYKLU-UHFFFAOYSA-N 2 2 288.399 0.862 10 0 CCAELP Cn1cc(C[N@H+]2CCCN(Cc3c[nH+]cn3C)CC2)cn1 ZINC000177056584 189024749 /nfs/dbraw/zinc/02/47/49/189024749.db2.gz JRPCTOXUKCYKLU-UHFFFAOYSA-N 2 2 288.399 0.862 10 0 CCAELP Cc1cc(NC(=O)C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)on1 ZINC000631840482 370706114 /nfs/dbraw/zinc/70/61/14/370706114.db2.gz CLUXDKLLUAJZTB-SCZZXKLOSA-N 2 2 252.318 0.448 10 0 CCAELP Cc1cc(NC(=O)C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)on1 ZINC000631840482 370706119 /nfs/dbraw/zinc/70/61/19/370706119.db2.gz CLUXDKLLUAJZTB-SCZZXKLOSA-N 2 2 252.318 0.448 10 0 CCAELP C[C@H]1C[N@H+](Cc2nnnn2-c2ccccc2)C[C@H]1C[NH3+] ZINC000631843893 370710287 /nfs/dbraw/zinc/71/02/87/370710287.db2.gz SZJCSURSQONTMF-NWDGAFQWSA-N 2 2 272.356 0.689 10 0 CCAELP C[C@H]1C[N@@H+](Cc2nnnn2-c2ccccc2)C[C@H]1C[NH3+] ZINC000631843893 370710291 /nfs/dbraw/zinc/71/02/91/370710291.db2.gz SZJCSURSQONTMF-NWDGAFQWSA-N 2 2 272.356 0.689 10 0 CCAELP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634765310 372212010 /nfs/dbraw/zinc/21/20/10/372212010.db2.gz PBMOVWNVGMUGLI-YDHLFZDLSA-N 2 2 281.400 0.213 10 0 CCAELP CC(C)CC[C@@H]([NH3+])C(=O)N1CCn2cc[nH+]c2C1 ZINC000638096751 374659985 /nfs/dbraw/zinc/65/99/85/374659985.db2.gz LHHNVLJFMXHXSP-LLVKDONJSA-N 2 2 250.346 0.989 10 0 CCAELP CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000639016865 375520577 /nfs/dbraw/zinc/52/05/77/375520577.db2.gz OQHPDJWTMDAMMM-HTQZYQBOSA-N 2 2 276.262 0.766 10 0 CCAELP CCn1cc[nH+]c1Cn1cc(CC[NH2+]CCOC)nn1 ZINC000641023000 376679986 /nfs/dbraw/zinc/67/99/86/376679986.db2.gz DEAJWRANCCPNHJ-UHFFFAOYSA-N 2 2 278.360 0.321 10 0 CCAELP Cc1c[nH+]ccc1NC(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000334823046 207141349 /nfs/dbraw/zinc/14/13/49/207141349.db2.gz VEUJZFQPZSTXKB-CYBMUJFWSA-N 2 2 266.320 0.977 10 0 CCAELP CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H](C)C[NH+]2CCOCC2)C1 ZINC000249771095 285139597 /nfs/dbraw/zinc/13/95/97/285139597.db2.gz SQMAENOEESGXSY-ZIAGYGMSSA-N 2 2 298.431 0.491 10 0 CCAELP CC[N@H+]1CCC[C@@H](NC(=O)N[C@H](C)C[NH+]2CCOCC2)C1 ZINC000249771095 285139599 /nfs/dbraw/zinc/13/95/99/285139599.db2.gz SQMAENOEESGXSY-ZIAGYGMSSA-N 2 2 298.431 0.491 10 0 CCAELP C[NH2+][C@H](C)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000311883893 389106137 /nfs/dbraw/zinc/10/61/37/389106137.db2.gz XBNSMZMDCNQULU-UKRRQHHQSA-N 2 2 291.395 0.612 10 0 CCAELP C[NH2+][C@H](C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000311883893 389106139 /nfs/dbraw/zinc/10/61/39/389106139.db2.gz XBNSMZMDCNQULU-UKRRQHHQSA-N 2 2 291.395 0.612 10 0 CCAELP CC[C@H](C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1)[NH+](C)C ZINC000151566659 389277754 /nfs/dbraw/zinc/27/77/54/389277754.db2.gz JJXBSCOZZYAKCZ-CHWSQXEVSA-N 2 2 269.389 0.306 10 0 CCAELP CC[C@H](C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1)[NH+](C)C ZINC000151566659 389277757 /nfs/dbraw/zinc/27/77/57/389277757.db2.gz JJXBSCOZZYAKCZ-CHWSQXEVSA-N 2 2 269.389 0.306 10 0 CCAELP OC[C@@H]1CCCCN1c1cc(N[C@H]2CCC[NH2+]C2)nc[nH+]1 ZINC000333618797 389436541 /nfs/dbraw/zinc/43/65/41/389436541.db2.gz ZCGGPVPYKMREJQ-STQMWFEESA-N 2 2 291.399 0.992 10 0 CCAELP C[N@@H+]1CCO[C@@H]2CCN(C(=O)N[C@H]3CCCC[NH2+]C3)C[C@@H]21 ZINC000333776964 389443082 /nfs/dbraw/zinc/44/30/82/389443082.db2.gz DBKROKSWXXLHSD-MELADBBJSA-N 2 2 296.415 0.243 10 0 CCAELP C[N@H+]1CCO[C@@H]2CCN(C(=O)N[C@H]3CCCC[NH2+]C3)C[C@@H]21 ZINC000333776964 389443085 /nfs/dbraw/zinc/44/30/85/389443085.db2.gz DBKROKSWXXLHSD-MELADBBJSA-N 2 2 296.415 0.243 10 0 CCAELP CN(c1cc(N2CCCC[C@H]2CO)nc[nH+]1)C1CC([NH3+])C1 ZINC000333886716 389448330 /nfs/dbraw/zinc/44/83/30/389448330.db2.gz FZEQVJOOHDRTTC-CPCZMJQVSA-N 2 2 291.399 0.754 10 0 CCAELP CN(c1cc(N2CCCC[C@H]2CO)[nH+]cn1)C1CC([NH3+])C1 ZINC000333886716 389448333 /nfs/dbraw/zinc/44/83/33/389448333.db2.gz FZEQVJOOHDRTTC-CPCZMJQVSA-N 2 2 291.399 0.754 10 0 CCAELP CCC[C@@H](C(=O)NCC[N@@H+]1CCOCC1(C)C)[NH+](C)C ZINC000179195209 389644508 /nfs/dbraw/zinc/64/45/08/389644508.db2.gz UUWHIGKBOOMECH-ZDUSSCGKSA-N 2 2 285.432 0.944 10 0 CCAELP CCC[C@@H](C(=O)NCC[N@H+]1CCOCC1(C)C)[NH+](C)C ZINC000179195209 389644513 /nfs/dbraw/zinc/64/45/13/389644513.db2.gz UUWHIGKBOOMECH-ZDUSSCGKSA-N 2 2 285.432 0.944 10 0 CCAELP CC(C)[C@H](C(=O)N1CCn2cc[nH+]c2C1)[C@@H](C)[NH3+] ZINC000335603448 389576915 /nfs/dbraw/zinc/57/69/15/389576915.db2.gz JCUNGOFKCBCZGK-PWSUYJOCSA-N 2 2 250.346 0.845 10 0 CCAELP CC(C)([NH3+])c1noc(CN2CC[C@@H]([NH+]3CCOCC3)C2)n1 ZINC000062980313 411688519 /nfs/dbraw/zinc/68/85/19/411688519.db2.gz MCFNWJRHPANRJY-LLVKDONJSA-N 2 2 295.387 0.170 10 0 CCAELP CC(C)Nc1nc[nH+]c(NN2CC[NH+](C)CC2)c1N ZINC000040708103 174380312 /nfs/dbraw/zinc/38/03/12/174380312.db2.gz UHSRXWPVTXMIRF-UHFFFAOYSA-N 2 2 265.365 0.453 10 0 CCAELP CCOc1nc[nH+]c(NN2CC[NH+](C)CC2)c1N ZINC000040756972 174396210 /nfs/dbraw/zinc/39/62/10/174396210.db2.gz KHMZFAKZHZINAY-UHFFFAOYSA-N 2 2 252.322 0.032 10 0 CCAELP CCOC(=O)[C@](C)(N)CC[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191010 176067989 /nfs/dbraw/zinc/06/79/89/176067989.db2.gz IRWSXBMMBPYZJL-TZMCWYRMSA-N 2 2 271.405 0.541 10 0 CCAELP CCOC(=O)[C@](C)(N)CC[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191010 176067990 /nfs/dbraw/zinc/06/79/90/176067990.db2.gz IRWSXBMMBPYZJL-TZMCWYRMSA-N 2 2 271.405 0.541 10 0 CCAELP CCOC(=O)[C@](C)(N)CC[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191010 176067992 /nfs/dbraw/zinc/06/79/92/176067992.db2.gz IRWSXBMMBPYZJL-TZMCWYRMSA-N 2 2 271.405 0.541 10 0 CCAELP CCOC(=O)[C@](C)(N)CC[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191010 176067993 /nfs/dbraw/zinc/06/79/93/176067993.db2.gz IRWSXBMMBPYZJL-TZMCWYRMSA-N 2 2 271.405 0.541 10 0 CCAELP CCOC(=O)[C@](C)([NH3+])CCN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191010 176067996 /nfs/dbraw/zinc/06/79/96/176067996.db2.gz IRWSXBMMBPYZJL-TZMCWYRMSA-N 2 2 271.405 0.541 10 0 CCAELP CCOC(=O)[C@](C)([NH3+])CCN(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191010 176067997 /nfs/dbraw/zinc/06/79/97/176067997.db2.gz IRWSXBMMBPYZJL-TZMCWYRMSA-N 2 2 271.405 0.541 10 0 CCAELP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N(C)Cc1[nH+]ccn1C ZINC000094648319 544545498 /nfs/dbraw/zinc/54/54/98/544545498.db2.gz FAVZQFHRMPWCQI-QWRGUYRKSA-N 2 2 250.346 0.767 10 0 CCAELP O=C(N1CCn2cc[nH+]c2C1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111247216 544562185 /nfs/dbraw/zinc/56/21/85/544562185.db2.gz NWAWYKRXSFMZIY-LLVKDONJSA-N 2 2 288.273 0.767 10 0 CCAELP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000262094964 544939193 /nfs/dbraw/zinc/93/91/93/544939193.db2.gz HVCULPPTSYPBOZ-DOTOQJQBSA-N 3 2 289.423 0.821 10 0 CCAELP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1nccn1CC(F)(F)F ZINC000262105552 544941146 /nfs/dbraw/zinc/94/11/46/544941146.db2.gz JLPSUQBRSXYPOJ-RKDXNWHRSA-N 2 2 278.278 0.115 10 0 CCAELP O[C@@H]1C[NH2+]C[C@@H]1CNCc1[nH+]ccn1CC(F)(F)F ZINC000262105552 544941150 /nfs/dbraw/zinc/94/11/50/544941150.db2.gz JLPSUQBRSXYPOJ-RKDXNWHRSA-N 2 2 278.278 0.115 10 0 CCAELP C[C@@H](CNC(=O)N[C@@H]1CCCC[NH2+]C1)[NH+]1CCOCC1 ZINC000333899473 545044450 /nfs/dbraw/zinc/04/44/50/545044450.db2.gz BICNXEKZKLSGBI-QWHCGFSZSA-N 2 2 284.404 0.148 10 0 CCAELP Cn1cc([C@H]2CCC[N@H+]2C[C@@H]2C[NH2+]CCO2)cn1 ZINC000311129855 545012189 /nfs/dbraw/zinc/01/21/89/545012189.db2.gz WHNCHXXKGOKQQQ-QWHCGFSZSA-N 2 2 250.346 0.545 10 0 CCAELP CC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CC[NH2+]CC2)CC1 ZINC000038042950 276381236 /nfs/dbraw/zinc/38/12/36/276381236.db2.gz QKRXOXYCCFCBEW-HNNXBMFYSA-N 3 2 294.443 0.367 10 0 CCAELP CC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CC[NH2+]CC2)CC1 ZINC000038042950 276381237 /nfs/dbraw/zinc/38/12/37/276381237.db2.gz QKRXOXYCCFCBEW-HNNXBMFYSA-N 3 2 294.443 0.367 10 0 CCAELP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000333012300 277057617 /nfs/dbraw/zinc/05/76/17/277057617.db2.gz BLLYTUZJONOFGQ-NWDGAFQWSA-N 2 2 262.357 0.971 10 0 CCAELP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000333012300 277057619 /nfs/dbraw/zinc/05/76/19/277057619.db2.gz BLLYTUZJONOFGQ-NWDGAFQWSA-N 2 2 262.357 0.971 10 0 CCAELP CC(C)([NH3+])CC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000084186752 277306160 /nfs/dbraw/zinc/30/61/60/277306160.db2.gz VJOWHFHNVGXXRS-LLVKDONJSA-N 2 2 255.362 0.047 10 0 CCAELP CC[NH+]1CCN(S(=O)(=O)C[C@@H]2CCCC[NH2+]2)CC1 ZINC000049630898 521689939 /nfs/dbraw/zinc/68/99/39/521689939.db2.gz OLGKPNAYRNIWCF-LBPRGKRZSA-N 2 2 275.418 0.096 10 0 CCAELP C[NH+](C)C[C@@H](O)C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000061674861 521827856 /nfs/dbraw/zinc/82/78/56/521827856.db2.gz XVYQPLMXOHNVJX-NSHDSACASA-N 2 2 252.314 0.427 10 0 CCAELP C[C@H](C[NH3+])C[NH+]1CCN(C(=O)C2CCOCC2)CC1 ZINC000061670893 524306773 /nfs/dbraw/zinc/30/67/73/524306773.db2.gz GYVYKGZGMFBRMC-GFCCVEGCSA-N 2 2 269.389 0.152 10 0 CCAELP C[C@@H](C[NH3+])C[NH+]1CCN(C(=O)C2CCOCC2)CC1 ZINC000061670892 524581629 /nfs/dbraw/zinc/58/16/29/524581629.db2.gz GYVYKGZGMFBRMC-LBPRGKRZSA-N 2 2 269.389 0.152 10 0 CCAELP [NH3+]CCc1[nH+]ccn1-c1nnnn1-c1ccccc1 ZINC000052304364 527198422 /nfs/dbraw/zinc/19/84/22/527198422.db2.gz PNDJIEIEVTXBGS-UHFFFAOYSA-N 2 2 255.285 0.349 10 0 CCAELP CC(C)(C)OC(=O)N[C@H]1C[NH2+]CC[C@H]1C1C[NH2+]C[NH2+]C1 ZINC000669384842 545206388 /nfs/dbraw/zinc/20/63/88/545206388.db2.gz JFESKUDHTZKLEP-RYUDHWBXSA-N 3 2 284.404 0.256 10 0 CCAELP C[N@@H+]1CCO[C@@H](CNC(=O)CCCCCC[NH3+])C1 ZINC000091669278 624965842 /nfs/dbraw/zinc/96/58/42/624965842.db2.gz BSEYAABLWWDTSZ-LBPRGKRZSA-N 2 2 257.378 0.342 10 0 CCAELP C[N@H+]1CCO[C@@H](CNC(=O)CCCCCC[NH3+])C1 ZINC000091669278 624965873 /nfs/dbraw/zinc/96/58/73/624965873.db2.gz BSEYAABLWWDTSZ-LBPRGKRZSA-N 2 2 257.378 0.342 10 0 CCAELP C[NH+](C)CCNc1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000258822940 282106403 /nfs/dbraw/zinc/10/64/03/282106403.db2.gz WAJBZMQHDIPHBN-LLVKDONJSA-N 2 2 265.361 0.411 10 0 CCAELP C[NH+]1CCC(CCNC(=O)NC[C@H]2C[N@H+](C)CCO2)CC1 ZINC000105245551 349721264 /nfs/dbraw/zinc/72/12/64/349721264.db2.gz WQFVYOUMCRVQNA-AWEZNQCLSA-N 2 2 298.431 0.348 10 0 CCAELP C[NH+]1CCC(CCNC(=O)NC[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000105245551 349721267 /nfs/dbraw/zinc/72/12/67/349721267.db2.gz WQFVYOUMCRVQNA-AWEZNQCLSA-N 2 2 298.431 0.348 10 0 CCAELP COCC[N@@H+]1CCN(C(=O)C[NH+](C)C(C)C)C[C@H]1C ZINC000117292520 349883710 /nfs/dbraw/zinc/88/37/10/349883710.db2.gz SOZSONFCMIDRFQ-CYBMUJFWSA-N 2 2 271.405 0.506 10 0 CCAELP COCC[N@H+]1CCN(C(=O)C[NH+](C)C(C)C)C[C@H]1C ZINC000117292520 349883712 /nfs/dbraw/zinc/88/37/12/349883712.db2.gz SOZSONFCMIDRFQ-CYBMUJFWSA-N 2 2 271.405 0.506 10 0 CCAELP COCC[NH+]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC000117292520 349883713 /nfs/dbraw/zinc/88/37/13/349883713.db2.gz SOZSONFCMIDRFQ-CYBMUJFWSA-N 2 2 271.405 0.506 10 0 CCAELP COCC[NH+]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC000117292520 349883715 /nfs/dbraw/zinc/88/37/15/349883715.db2.gz SOZSONFCMIDRFQ-CYBMUJFWSA-N 2 2 271.405 0.506 10 0 CCAELP O=C([C@@H]1COCC[NH2+]1)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000361729342 232212194 /nfs/dbraw/zinc/21/21/94/232212194.db2.gz RKKPSUZMRRGENA-KBPBESRZSA-N 2 2 281.400 0.452 10 0 CCAELP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cccc2c1OCO2 ZINC000263168143 137059746 /nfs/dbraw/zinc/05/97/46/137059746.db2.gz FJSLIPDWICZEQK-GHMZBOCLSA-N 2 2 250.298 0.085 10 0 CCAELP COC(=O)c1ccc(Cl)c(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)c1 ZINC000263155742 137059357 /nfs/dbraw/zinc/05/93/57/137059357.db2.gz DKGVPNQVAADRHQ-DGCLKSJQSA-N 2 2 298.770 0.797 10 0 CCAELP O=C(C1C[NH2+]C1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000263289731 137062836 /nfs/dbraw/zinc/06/28/36/137062836.db2.gz LHRMXTSCJXTIGH-UHFFFAOYSA-N 2 2 277.343 0.689 10 0 CCAELP Cc1cn2c([nH+]1)[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)CCC2 ZINC000332683894 137080392 /nfs/dbraw/zinc/08/03/92/137080392.db2.gz KUVJGEUZQJOVIG-OLZOCXBDSA-N 2 2 292.383 0.516 10 0 CCAELP Cc1cn2c([nH+]1)[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)CCC2 ZINC000332683894 137080393 /nfs/dbraw/zinc/08/03/93/137080393.db2.gz KUVJGEUZQJOVIG-OLZOCXBDSA-N 2 2 292.383 0.516 10 0 CCAELP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC000263196446 137060157 /nfs/dbraw/zinc/06/01/57/137060157.db2.gz ILUWGVNSXSCFAZ-DGCLKSJQSA-N 2 2 282.771 0.945 10 0 CCAELP CO[C@H]1C[NH2+][C@@H](C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000040630402 348239462 /nfs/dbraw/zinc/23/94/62/348239462.db2.gz QGWDFGMMQMRNRE-CHWSQXEVSA-N 2 2 290.367 0.107 10 0 CCAELP CCCNC(=O)NC(=O)C[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261591973 535088349 /nfs/dbraw/zinc/08/83/49/535088349.db2.gz MGIMCLQLRJZOPE-SNVBAGLBSA-N 2 2 270.377 0.281 10 0 CCAELP C[N@@H+]1CCN(c2ncnc3ccsc32)[C@H](C[NH3+])C1 ZINC000122824247 350070281 /nfs/dbraw/zinc/07/02/81/350070281.db2.gz YNPZSVFBXMKICG-SECBINFHSA-N 2 2 263.370 0.770 10 0 CCAELP C[N@H+]1CCN(c2ncnc3ccsc32)[C@H](C[NH3+])C1 ZINC000122824247 350070285 /nfs/dbraw/zinc/07/02/85/350070285.db2.gz YNPZSVFBXMKICG-SECBINFHSA-N 2 2 263.370 0.770 10 0 CCAELP C[N@@H+]1CCO[C@@H](CNC(=O)N2CC[NH+]3CCCC[C@@H]3C2)C1 ZINC000105279205 186048727 /nfs/dbraw/zinc/04/87/27/186048727.db2.gz AFVOBVXSROTRQU-KGLIPLIRSA-N 2 2 296.415 0.197 10 0 CCAELP C[N@H+]1CCO[C@@H](CNC(=O)N2CC[NH+]3CCCC[C@@H]3C2)C1 ZINC000105279205 186048728 /nfs/dbraw/zinc/04/87/28/186048728.db2.gz AFVOBVXSROTRQU-KGLIPLIRSA-N 2 2 296.415 0.197 10 0 CCAELP C[NH+]1CCO[C@@H](CNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)C1 ZINC000105279205 186048730 /nfs/dbraw/zinc/04/87/30/186048730.db2.gz AFVOBVXSROTRQU-KGLIPLIRSA-N 2 2 296.415 0.197 10 0 CCAELP C[NH+]1CCO[C@@H](CNC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)C1 ZINC000105279205 186048731 /nfs/dbraw/zinc/04/87/31/186048731.db2.gz AFVOBVXSROTRQU-KGLIPLIRSA-N 2 2 296.415 0.197 10 0 CCAELP CCn1cc[nH+]c1CN1CCN(C(=O)C[NH+](C)C)CC1 ZINC000106382682 186111616 /nfs/dbraw/zinc/11/16/16/186111616.db2.gz BTNAGYIHFATGPL-UHFFFAOYSA-N 2 2 279.388 0.109 10 0 CCAELP CC[C@@H]1CN(Cc2c[nH]c[nH+]2)CC[N@@H+]1C[C@@H](C)O ZINC000179508235 351269661 /nfs/dbraw/zinc/26/96/61/351269661.db2.gz OVVIWZQYZGFSGX-DGCLKSJQSA-N 2 2 252.362 0.687 10 0 CCAELP CC[C@@H]1CN(Cc2c[nH]c[nH+]2)CC[N@H+]1C[C@@H](C)O ZINC000179508235 351269665 /nfs/dbraw/zinc/26/96/65/351269665.db2.gz OVVIWZQYZGFSGX-DGCLKSJQSA-N 2 2 252.362 0.687 10 0 CCAELP CC[C@@H]1CN(Cc2c[nH+]c[nH]2)CC[N@@H+]1C[C@@H](C)O ZINC000179508235 351269670 /nfs/dbraw/zinc/26/96/70/351269670.db2.gz OVVIWZQYZGFSGX-DGCLKSJQSA-N 2 2 252.362 0.687 10 0 CCAELP CC[C@@H]1CN(Cc2c[nH+]c[nH]2)CC[N@H+]1C[C@@H](C)O ZINC000179508235 351269672 /nfs/dbraw/zinc/26/96/72/351269672.db2.gz OVVIWZQYZGFSGX-DGCLKSJQSA-N 2 2 252.362 0.687 10 0 CCAELP C[C@@H]1CN(C(=O)C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C[C@@H](C)O1 ZINC000193641288 351838664 /nfs/dbraw/zinc/83/86/64/351838664.db2.gz YILJQIHYVQMPAV-SYQHCUMBSA-N 2 2 281.400 0.116 10 0 CCAELP C[C@@H]1CN(C(=O)C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C[C@@H](C)O1 ZINC000193641288 351838667 /nfs/dbraw/zinc/83/86/67/351838667.db2.gz YILJQIHYVQMPAV-SYQHCUMBSA-N 2 2 281.400 0.116 10 0 CCAELP C[C@@H]1CN(C(=O)C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)C[C@@H](C)O1 ZINC000193641288 351838670 /nfs/dbraw/zinc/83/86/70/351838670.db2.gz YILJQIHYVQMPAV-SYQHCUMBSA-N 2 2 281.400 0.116 10 0 CCAELP C[C@@H]1CN(C(=O)C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)C[C@@H](C)O1 ZINC000193641288 351838672 /nfs/dbraw/zinc/83/86/72/351838672.db2.gz YILJQIHYVQMPAV-SYQHCUMBSA-N 2 2 281.400 0.116 10 0 CCAELP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)NC(N)=O)C2)[nH+]1 ZINC000195516123 351916169 /nfs/dbraw/zinc/91/61/69/351916169.db2.gz NEPJCOCVMPPLPD-NSHDSACASA-N 2 2 291.355 0.319 10 0 CCAELP CCOCC[N@@H+]1CCN(C(=O)[C@@]2(F)CC[NH2+]C2)C[C@H]1C ZINC000246212060 352354415 /nfs/dbraw/zinc/35/44/15/352354415.db2.gz FVIVUPSWADPURS-TZMCWYRMSA-N 2 2 287.379 0.257 10 0 CCAELP CCOCC[N@H+]1CCN(C(=O)[C@@]2(F)CC[NH2+]C2)C[C@H]1C ZINC000246212060 352354416 /nfs/dbraw/zinc/35/44/16/352354416.db2.gz FVIVUPSWADPURS-TZMCWYRMSA-N 2 2 287.379 0.257 10 0 CCAELP COCCCNC(=O)C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000246232428 352356386 /nfs/dbraw/zinc/35/63/86/352356386.db2.gz GIHPZRXNNWHXAK-ZIAGYGMSSA-N 2 2 294.399 0.919 10 0 CCAELP COCCCNC(=O)C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000246232428 352356388 /nfs/dbraw/zinc/35/63/88/352356388.db2.gz GIHPZRXNNWHXAK-ZIAGYGMSSA-N 2 2 294.399 0.919 10 0 CCAELP CCNC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000246269758 352358930 /nfs/dbraw/zinc/35/89/30/352358930.db2.gz MEWVHFFZPCGXLW-NEPJUHHUSA-N 2 2 250.346 0.902 10 0 CCAELP CCNC(=O)C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000246269758 352358931 /nfs/dbraw/zinc/35/89/31/352358931.db2.gz MEWVHFFZPCGXLW-NEPJUHHUSA-N 2 2 250.346 0.902 10 0 CCAELP C[N@@H+]1CCO[C@@H]2CN(C(=O)C[C@@H]3CCC[C@H]3[NH3+])C[C@H]21 ZINC000261803828 283002102 /nfs/dbraw/zinc/00/21/02/283002102.db2.gz MTUHBMORFXFGMF-UMSGYPCISA-N 2 2 267.373 0.045 10 0 CCAELP C[N@H+]1CCO[C@@H]2CN(C(=O)C[C@@H]3CCC[C@H]3[NH3+])C[C@H]21 ZINC000261803828 283002106 /nfs/dbraw/zinc/00/21/06/283002106.db2.gz MTUHBMORFXFGMF-UMSGYPCISA-N 2 2 267.373 0.045 10 0 CCAELP C[C@@H]1C[N@H+](C)CCN1c1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000408388473 358068004 /nfs/dbraw/zinc/06/80/04/358068004.db2.gz CQMUULNQDYHWBR-CHWSQXEVSA-N 2 2 291.399 0.578 10 0 CCAELP C[C@@H]1C[N@@H+](C)CCN1c1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000408388473 358068007 /nfs/dbraw/zinc/06/80/07/358068007.db2.gz CQMUULNQDYHWBR-CHWSQXEVSA-N 2 2 291.399 0.578 10 0 CCAELP O=C(NC[C@H]1C[NH2+]CCO1)c1ccc2[nH+]ccn2c1 ZINC000564956687 291326137 /nfs/dbraw/zinc/32/61/37/291326137.db2.gz UQEPMKFZZDKWPB-LLVKDONJSA-N 2 2 260.297 0.053 10 0 CCAELP CC[NH+](CC)CC(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000275767151 193124105 /nfs/dbraw/zinc/12/41/05/193124105.db2.gz XKQLEUJWFCSGIU-CYBMUJFWSA-N 2 2 293.415 0.577 10 0 CCAELP O=C([C@H]1CCCC[NH2+]1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062976776 284548655 /nfs/dbraw/zinc/54/86/55/284548655.db2.gz CYPXHMUVLKQAPZ-QWHCGFSZSA-N 2 2 267.373 0.062 10 0 CCAELP O=C([C@H]1COCC[NH2+]1)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000361729344 284576898 /nfs/dbraw/zinc/57/68/98/284576898.db2.gz RKKPSUZMRRGENA-UONOGXRCSA-N 2 2 281.400 0.452 10 0 CCAELP CC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000111493109 389108714 /nfs/dbraw/zinc/10/87/14/389108714.db2.gz IWKJQSLGNBYNPQ-UONOGXRCSA-N 2 2 298.431 0.491 10 0 CCAELP CC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000111493109 389108718 /nfs/dbraw/zinc/10/87/18/389108718.db2.gz IWKJQSLGNBYNPQ-UONOGXRCSA-N 2 2 298.431 0.491 10 0 CCAELP CC[NH+]1CCCC[C@H]1CNC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000111493109 389108721 /nfs/dbraw/zinc/10/87/21/389108721.db2.gz IWKJQSLGNBYNPQ-UONOGXRCSA-N 2 2 298.431 0.491 10 0 CCAELP CC[NH+]1CCCC[C@H]1CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000111493109 389108724 /nfs/dbraw/zinc/10/87/24/389108724.db2.gz IWKJQSLGNBYNPQ-UONOGXRCSA-N 2 2 298.431 0.491 10 0 CCAELP CN(C)c1[nH+]cc(C[NH2+]C[C@H](O)C(C)(C)C)n1C ZINC000324642715 389127267 /nfs/dbraw/zinc/12/72/67/389127267.db2.gz XYGOJXAVFJHVKN-NSHDSACASA-N 2 2 254.378 0.983 10 0 CCAELP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000173471635 389502648 /nfs/dbraw/zinc/50/26/48/389502648.db2.gz DBJGKXGCHFIFHC-MCIONIFRSA-N 2 2 281.400 0.402 10 0 CCAELP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000173471635 389502651 /nfs/dbraw/zinc/50/26/51/389502651.db2.gz DBJGKXGCHFIFHC-MCIONIFRSA-N 2 2 281.400 0.402 10 0 CCAELP CC[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000173471635 389502654 /nfs/dbraw/zinc/50/26/54/389502654.db2.gz DBJGKXGCHFIFHC-MCIONIFRSA-N 2 2 281.400 0.402 10 0 CCAELP CC[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000173471635 389502659 /nfs/dbraw/zinc/50/26/59/389502659.db2.gz DBJGKXGCHFIFHC-MCIONIFRSA-N 2 2 281.400 0.402 10 0 CCAELP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000182624168 389712445 /nfs/dbraw/zinc/71/24/45/389712445.db2.gz IIGUMRLSUIWWHA-GFCCVEGCSA-N 2 2 250.346 0.826 10 0 CCAELP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCn1cc[nH+]c1 ZINC000182624168 389712449 /nfs/dbraw/zinc/71/24/49/389712449.db2.gz IIGUMRLSUIWWHA-GFCCVEGCSA-N 2 2 250.346 0.826 10 0 CCAELP C[C@@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)CCS1 ZINC000180473538 389670963 /nfs/dbraw/zinc/67/09/63/389670963.db2.gz GGQWWBIZAPPSPL-LLVKDONJSA-N 2 2 257.403 0.198 10 0 CCAELP C[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)CCS1 ZINC000180473538 389670965 /nfs/dbraw/zinc/67/09/65/389670965.db2.gz GGQWWBIZAPPSPL-LLVKDONJSA-N 2 2 257.403 0.198 10 0 CCAELP CC1CC[NH+](CC[NH2+][C@@H]2CCC(=O)N[C@H]2C)CC1 ZINC000440948466 390047487 /nfs/dbraw/zinc/04/74/87/390047487.db2.gz BFIXOBCSCJUSRM-QWHCGFSZSA-N 2 2 253.390 0.975 10 0 CCAELP COC[C@@]1(C(=O)N[C@@H](C)Cn2cc[nH+]c2)CCC[NH2+]1 ZINC000649299607 390560315 /nfs/dbraw/zinc/56/03/15/390560315.db2.gz BJFNSEFFOAYHEQ-WCQYABFASA-N 2 2 266.345 0.156 10 0 CCAELP O=C([C@@H]1CC12CC[NH2+]CC2)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000070256635 411691834 /nfs/dbraw/zinc/69/18/34/411691834.db2.gz CWEIDJQIFKDZFY-KBPBESRZSA-N 2 2 293.411 0.309 10 0 CCAELP CCc1cc(N2CCO[C@@H]([C@@H](C)[NH3+])C2)nc(C)[nH+]1 ZINC000132881676 411727389 /nfs/dbraw/zinc/72/73/89/411727389.db2.gz NHRHKZWDZJKTJD-BXKDBHETSA-N 2 2 250.346 0.900 10 0 CCAELP CCOC(=O)N1CC[NH2+]C[C@@H]1c1cc[nH+]c(N)c1 ZINC000616638406 411840393 /nfs/dbraw/zinc/84/03/93/411840393.db2.gz ZLTNRVJAVTUFMC-SNVBAGLBSA-N 2 2 250.302 0.767 10 0 CCAELP CC[N@H+](CCO)[C@@H](C[NH3+])c1ccc2c(c1)OCCO2 ZINC000020226372 171091499 /nfs/dbraw/zinc/09/14/99/171091499.db2.gz AYMZMLRBNSVNPQ-LBPRGKRZSA-N 2 2 266.341 0.772 10 0 CCAELP CC[N@@H+](CCO)[C@@H](C[NH3+])c1ccc2c(c1)OCCO2 ZINC000020226372 171091502 /nfs/dbraw/zinc/09/15/02/171091502.db2.gz AYMZMLRBNSVNPQ-LBPRGKRZSA-N 2 2 266.341 0.772 10 0 CCAELP CC[NH+]1CCN(S(=O)(=O)c2ccccc2C[NH3+])CC1 ZINC000022172636 171368787 /nfs/dbraw/zinc/36/87/87/171368787.db2.gz YWLZCZDQEVABBA-UHFFFAOYSA-N 2 2 283.397 0.472 10 0 CCAELP C[C@H](CNC(=O)[C@H]1CSC[NH2+]1)[NH+]1CCCCC1 ZINC000038029413 174020470 /nfs/dbraw/zinc/02/04/70/174020470.db2.gz QQYFNLWASYBBEK-GHMZBOCLSA-N 2 2 257.403 0.640 10 0 CCAELP CC[NH+]1CCC([NH2+][C@H]2CC(=O)N(C3CC3)C2=O)CC1 ZINC000038098322 174113384 /nfs/dbraw/zinc/11/33/84/174113384.db2.gz TYPFZVXHZRAOBT-LBPRGKRZSA-N 2 2 265.357 0.350 10 0 CCAELP CC[C@@H]([NH3+])[C@@H](c1cccs1)[NH+](CCO)CCO ZINC000043105024 174970171 /nfs/dbraw/zinc/97/01/71/174970171.db2.gz ZLVCECUWOYPXJU-PWSUYJOCSA-N 2 2 258.387 0.813 10 0 CCAELP CCC[C@H](C)NC(=O)[C@@H](C)[N@H+](CCC[NH3+])CCOC ZINC000071224876 176089022 /nfs/dbraw/zinc/08/90/22/176089022.db2.gz AKAIIDSLHWLSPK-QWHCGFSZSA-N 2 2 273.421 0.977 10 0 CCAELP CCC[C@H](C)NC(=O)[C@@H](C)[N@@H+](CCC[NH3+])CCOC ZINC000071224876 176089023 /nfs/dbraw/zinc/08/90/23/176089023.db2.gz AKAIIDSLHWLSPK-QWHCGFSZSA-N 2 2 273.421 0.977 10 0 CCAELP C[C@@H]1CCC[N@H+](CCNC(=O)NC[C@H]2C[NH+](C)CCO2)C1 ZINC000246412811 287351735 /nfs/dbraw/zinc/35/17/35/287351735.db2.gz LIUVLKLUOPEMAR-KGLIPLIRSA-N 2 2 298.431 0.348 10 0 CCAELP C[C@@H]1CCC[N@@H+](CCNC(=O)NC[C@H]2C[NH+](C)CCO2)C1 ZINC000246412811 287351736 /nfs/dbraw/zinc/35/17/36/287351736.db2.gz LIUVLKLUOPEMAR-KGLIPLIRSA-N 2 2 298.431 0.348 10 0 CCAELP C[C@@H]1CCC[NH+](CCNC(=O)NC[C@H]2C[N@H+](C)CCO2)C1 ZINC000246412811 287351738 /nfs/dbraw/zinc/35/17/38/287351738.db2.gz LIUVLKLUOPEMAR-KGLIPLIRSA-N 2 2 298.431 0.348 10 0 CCAELP C[C@@H]1CCC[NH+](CCNC(=O)NC[C@H]2C[N@@H+](C)CCO2)C1 ZINC000246412811 287351740 /nfs/dbraw/zinc/35/17/40/287351740.db2.gz LIUVLKLUOPEMAR-KGLIPLIRSA-N 2 2 298.431 0.348 10 0 CCAELP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000094647187 544546212 /nfs/dbraw/zinc/54/62/12/544546212.db2.gz ZAMRILSAUIJNFH-RYUDHWBXSA-N 2 2 250.346 0.778 10 0 CCAELP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cccc2c1OCCO2 ZINC000262107065 544940297 /nfs/dbraw/zinc/94/02/97/544940297.db2.gz JRTXUNDRTOMLNY-VXGBXAGGSA-N 2 2 264.325 0.128 10 0 CCAELP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)N1CCn2c[nH+]cc2C1 ZINC000333733634 279035014 /nfs/dbraw/zinc/03/50/14/279035014.db2.gz WNRYTCGBJJNRGB-CMPLNLGQSA-N 2 2 263.345 0.549 10 0 CCAELP Cc1n[nH]cc1CNC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000038043367 279061331 /nfs/dbraw/zinc/06/13/31/279061331.db2.gz IWLKJLDKPZYPMO-AWEZNQCLSA-N 2 2 291.399 0.551 10 0 CCAELP Cc1n[nH]cc1CNC(=O)[C@@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000038043367 279061332 /nfs/dbraw/zinc/06/13/32/279061332.db2.gz IWLKJLDKPZYPMO-AWEZNQCLSA-N 2 2 291.399 0.551 10 0 CCAELP Cn1cc(N2CC[C@H]([N@@H+]3CC[C@@H]([NH3+])C(C)(C)C3)C2=O)cn1 ZINC000261645622 279340778 /nfs/dbraw/zinc/34/07/78/279340778.db2.gz GTBGLWPQGSEJRI-QWHCGFSZSA-N 2 2 291.399 0.585 10 0 CCAELP Cn1cc(N2CC[C@H]([N@H+]3CC[C@@H]([NH3+])C(C)(C)C3)C2=O)cn1 ZINC000261645622 279340780 /nfs/dbraw/zinc/34/07/80/279340780.db2.gz GTBGLWPQGSEJRI-QWHCGFSZSA-N 2 2 291.399 0.585 10 0 CCAELP C[C@@]1(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)CCC[NH2+]C1 ZINC000062976726 289133380 /nfs/dbraw/zinc/13/33/80/289133380.db2.gz UZSUUJXDLUWJCF-UKRRQHHQSA-N 2 2 281.400 0.309 10 0 CCAELP C[N@@H+]1CCO[C@H]2CN(C(=O)C[C@@H]3CCC[C@H]3[NH3+])C[C@@H]21 ZINC000261803825 290117362 /nfs/dbraw/zinc/11/73/62/290117362.db2.gz MTUHBMORFXFGMF-RNJOBUHISA-N 2 2 267.373 0.045 10 0 CCAELP C[N@H+]1CCO[C@H]2CN(C(=O)C[C@@H]3CCC[C@H]3[NH3+])C[C@@H]21 ZINC000261803825 290117366 /nfs/dbraw/zinc/11/73/66/290117366.db2.gz MTUHBMORFXFGMF-RNJOBUHISA-N 2 2 267.373 0.045 10 0 CCAELP CC(C)[N@H+](C)C[C@H](O)CN1CC[C@H]([NH+]2CCOCC2)C1 ZINC000383818627 545085119 /nfs/dbraw/zinc/08/51/19/545085119.db2.gz DJNBVSIYBGXTOL-GJZGRUSLSA-N 2 2 285.432 0.094 10 0 CCAELP CC(C)[N@@H+](C)C[C@H](O)CN1CC[C@H]([NH+]2CCOCC2)C1 ZINC000383818627 545085120 /nfs/dbraw/zinc/08/51/20/545085120.db2.gz DJNBVSIYBGXTOL-GJZGRUSLSA-N 2 2 285.432 0.094 10 0 CCAELP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](N2CCOCC2)C1 ZINC000383818627 545085121 /nfs/dbraw/zinc/08/51/21/545085121.db2.gz DJNBVSIYBGXTOL-GJZGRUSLSA-N 2 2 285.432 0.094 10 0 CCAELP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](N2CCOCC2)C1 ZINC000383818627 545085122 /nfs/dbraw/zinc/08/51/22/545085122.db2.gz DJNBVSIYBGXTOL-GJZGRUSLSA-N 2 2 285.432 0.094 10 0 CCAELP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000383818627 545085123 /nfs/dbraw/zinc/08/51/23/545085123.db2.gz DJNBVSIYBGXTOL-GJZGRUSLSA-N 2 2 285.432 0.094 10 0 CCAELP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000383818627 545085124 /nfs/dbraw/zinc/08/51/24/545085124.db2.gz DJNBVSIYBGXTOL-GJZGRUSLSA-N 2 2 285.432 0.094 10 0 CCAELP CC(C)[NH2+][C@H](CC[N@H+](C)C1CC[NH+](C)CC1)C(N)=O ZINC000062443206 519738109 /nfs/dbraw/zinc/73/81/09/519738109.db2.gz FJHHYUKRFAHDCJ-CYBMUJFWSA-N 3 2 270.421 0.254 10 0 CCAELP CC(C)[NH2+][C@H](CC[N@@H+](C)C1CC[NH+](C)CC1)C(N)=O ZINC000062443206 519738110 /nfs/dbraw/zinc/73/81/10/519738110.db2.gz FJHHYUKRFAHDCJ-CYBMUJFWSA-N 3 2 270.421 0.254 10 0 CCAELP C[NH2+]C(C)(C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000061300171 521934484 /nfs/dbraw/zinc/93/44/84/521934484.db2.gz IQPONFZPTMNKQJ-UHFFFAOYSA-N 2 2 262.357 0.728 10 0 CCAELP CC(C)[NH2+]C[C@H]1CCC[N@H+](CC(=O)N2CCC2)C1 ZINC000063139106 519725081 /nfs/dbraw/zinc/72/50/81/519725081.db2.gz VFOLRPGVQURDPG-CYBMUJFWSA-N 2 2 253.390 0.929 10 0 CCAELP CC(C)[NH2+]C[C@H]1CCC[N@@H+](CC(=O)N2CCC2)C1 ZINC000063139106 519725082 /nfs/dbraw/zinc/72/50/82/519725082.db2.gz VFOLRPGVQURDPG-CYBMUJFWSA-N 2 2 253.390 0.929 10 0 CCAELP CC[NH+]1CCN(c2cc[nH+]c(C(N)=S)c2)CC1 ZINC000061812279 521699864 /nfs/dbraw/zinc/69/98/64/521699864.db2.gz RKQVNUVBJHNGGC-UHFFFAOYSA-N 2 2 250.371 0.858 10 0 CCAELP CCCNC(=O)NC(=O)C[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261591973 535088345 /nfs/dbraw/zinc/08/83/45/535088345.db2.gz MGIMCLQLRJZOPE-SNVBAGLBSA-N 2 2 270.377 0.281 10 0 CCAELP CC[NH+](CC)Cc1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263171419 535614266 /nfs/dbraw/zinc/61/42/66/535614266.db2.gz FVBAPJNWCIKMIJ-JTQLQIEISA-N 2 2 253.350 0.488 10 0 CCAELP CCNC(=O)CC[NH2+][C@@H]1CCC[C@@H]1[N@@H+]1CC[C@H](O)C1 ZINC000886077940 615463233 /nfs/dbraw/zinc/46/32/33/615463233.db2.gz KEPCPXVCKRRTBJ-XQQFMLRXSA-N 2 2 269.389 0.090 10 0 CCAELP CCNC(=O)CC[NH2+][C@@H]1CCC[C@@H]1[N@H+]1CC[C@H](O)C1 ZINC000886077940 615463237 /nfs/dbraw/zinc/46/32/37/615463237.db2.gz KEPCPXVCKRRTBJ-XQQFMLRXSA-N 2 2 269.389 0.090 10 0 CCAELP C[N@@H+]1CCO[C@@H](CNC(=O)c2ccccc2CC[NH3+])C1 ZINC000091669245 349472847 /nfs/dbraw/zinc/47/28/47/349472847.db2.gz ZCMPJVUFNBBRIB-ZDUSSCGKSA-N 2 2 277.368 0.248 10 0 CCAELP C[N@H+]1CCO[C@@H](CNC(=O)c2ccccc2CC[NH3+])C1 ZINC000091669245 349472849 /nfs/dbraw/zinc/47/28/49/349472849.db2.gz ZCMPJVUFNBBRIB-ZDUSSCGKSA-N 2 2 277.368 0.248 10 0 CCAELP C[N@@H+]1CCO[C@@H](CNC(=O)N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000105283330 349721824 /nfs/dbraw/zinc/72/18/24/349721824.db2.gz VCXMDVCCLYZIIB-KBPBESRZSA-N 2 2 296.415 0.197 10 0 CCAELP C[N@H+]1CCO[C@@H](CNC(=O)N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000105283330 349721826 /nfs/dbraw/zinc/72/18/26/349721826.db2.gz VCXMDVCCLYZIIB-KBPBESRZSA-N 2 2 296.415 0.197 10 0 CCAELP CC[NH+](CC)CC(=O)N1CC[N@H+](CCOC)[C@H](C)C1 ZINC000117285682 349882637 /nfs/dbraw/zinc/88/26/37/349882637.db2.gz HSVYLFNPMJDHMI-CYBMUJFWSA-N 2 2 271.405 0.507 10 0 CCAELP CC[NH+](CC)CC(=O)N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC000117285682 349882638 /nfs/dbraw/zinc/88/26/38/349882638.db2.gz HSVYLFNPMJDHMI-CYBMUJFWSA-N 2 2 271.405 0.507 10 0 CCAELP COc1cc(C)nc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)c1 ZINC000262182965 137029540 /nfs/dbraw/zinc/02/95/40/137029540.db2.gz XCVBTIZPFKUKFD-MFKMUULPSA-N 2 2 251.330 0.069 10 0 CCAELP COc1cc(C)[nH+]c(CNC[C@@H]2C[NH2+]C[C@@H]2O)c1 ZINC000262182965 137029541 /nfs/dbraw/zinc/02/95/41/137029541.db2.gz XCVBTIZPFKUKFD-MFKMUULPSA-N 2 2 251.330 0.069 10 0 CCAELP CC(C)Oc1ccccc1N1CC[NH+](C[C@H](O)C[NH3+])CC1 ZINC000034420954 348149950 /nfs/dbraw/zinc/14/99/50/348149950.db2.gz ZODFWRZKZYSGPT-CQSZACIVSA-N 2 2 293.411 0.915 10 0 CCAELP CC(C)NC(=O)[C@@H](C)[NH+]1CCN(C(C)(C)C[NH3+])CC1 ZINC000104066718 185891325 /nfs/dbraw/zinc/89/13/25/185891325.db2.gz LGOMQMNGOQNWLQ-GFCCVEGCSA-N 2 2 270.421 0.254 10 0 CCAELP CC(C)(CNC(=O)C1CCC([NH3+])CC1)[NH+]1CCOCC1 ZINC000040805284 348242785 /nfs/dbraw/zinc/24/27/85/348242785.db2.gz ITJGJXXWGHFUKO-UHFFFAOYSA-N 2 2 283.416 0.731 10 0 CCAELP O=C(NCCCCn1cc[nH+]c1)[C@H]1CCC[NH2+]C1 ZINC000045109159 348334321 /nfs/dbraw/zinc/33/43/21/348334321.db2.gz NWUGQQPEWMHBQF-LBPRGKRZSA-N 2 2 250.346 0.779 10 0 CCAELP O=C(CCC1CC[NH2+]CC1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000062976830 348674293 /nfs/dbraw/zinc/67/42/93/348674293.db2.gz KFUWEIAKVFIVBN-OAHLLOKOSA-N 2 2 295.427 0.699 10 0 CCAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](CCC[NH3+])CC2)C1 ZINC000080749510 349227803 /nfs/dbraw/zinc/22/78/03/349227803.db2.gz VAMIGIAPTJHETK-HNNXBMFYSA-N 3 2 284.448 0.062 10 0 CCAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](CCC[NH3+])CC2)C1 ZINC000080749510 349227805 /nfs/dbraw/zinc/22/78/05/349227805.db2.gz VAMIGIAPTJHETK-HNNXBMFYSA-N 3 2 284.448 0.062 10 0 CCAELP Cc1cc2c(N3CC[N@@H+](C)C[C@@H]3C[NH3+])nccn2n1 ZINC000129905624 350226126 /nfs/dbraw/zinc/22/61/26/350226126.db2.gz RVEIKWXYMJZHPI-NSHDSACASA-N 2 2 260.345 0.117 10 0 CCAELP Cc1cc2c(N3CC[N@H+](C)C[C@@H]3C[NH3+])nccn2n1 ZINC000129905624 350226130 /nfs/dbraw/zinc/22/61/30/350226130.db2.gz RVEIKWXYMJZHPI-NSHDSACASA-N 2 2 260.345 0.117 10 0 CCAELP C[C@@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)[NH+]1CCOCC1 ZINC000170829550 350865559 /nfs/dbraw/zinc/86/55/59/350865559.db2.gz PZGRAWUTRBYFEK-QWHCGFSZSA-N 2 2 284.404 0.053 10 0 CCAELP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172743528 351007721 /nfs/dbraw/zinc/00/77/21/351007721.db2.gz BBOVSUWKJDQSTJ-ZDUSSCGKSA-N 2 2 269.389 0.260 10 0 CCAELP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172743528 351007722 /nfs/dbraw/zinc/00/77/22/351007722.db2.gz BBOVSUWKJDQSTJ-ZDUSSCGKSA-N 2 2 269.389 0.260 10 0 CCAELP CC(C)[C@@H](C)NC(=O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193651926 351838718 /nfs/dbraw/zinc/83/87/18/351838718.db2.gz LCKRNOTUWXPJIJ-UPJWGTAASA-N 2 2 253.390 0.641 10 0 CCAELP CC(C)[C@@H](C)NC(=O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193651926 351838722 /nfs/dbraw/zinc/83/87/22/351838722.db2.gz LCKRNOTUWXPJIJ-UPJWGTAASA-N 2 2 253.390 0.641 10 0 CCAELP CC(C)[C@@H](C)NC(=O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193651926 351838724 /nfs/dbraw/zinc/83/87/24/351838724.db2.gz LCKRNOTUWXPJIJ-UPJWGTAASA-N 2 2 253.390 0.641 10 0 CCAELP CC(C)[C@@H](C)NC(=O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193651926 351838726 /nfs/dbraw/zinc/83/87/26/351838726.db2.gz LCKRNOTUWXPJIJ-UPJWGTAASA-N 2 2 253.390 0.641 10 0 CCAELP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000246358295 352361865 /nfs/dbraw/zinc/36/18/65/352361865.db2.gz PSQRGWNAIUFZSU-RDBSUJKOSA-N 2 2 298.431 0.299 10 0 CCAELP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000246358295 352361872 /nfs/dbraw/zinc/36/18/72/352361872.db2.gz PSQRGWNAIUFZSU-RDBSUJKOSA-N 2 2 298.431 0.299 10 0 CCAELP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000246358295 352361875 /nfs/dbraw/zinc/36/18/75/352361875.db2.gz PSQRGWNAIUFZSU-RDBSUJKOSA-N 2 2 298.431 0.299 10 0 CCAELP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000246358295 352361878 /nfs/dbraw/zinc/36/18/78/352361878.db2.gz PSQRGWNAIUFZSU-RDBSUJKOSA-N 2 2 298.431 0.299 10 0 CCAELP C[C@H]1CCC[N@H+](CCNC(=O)NC[C@H]2C[NH+](C)CCO2)C1 ZINC000246412793 352365738 /nfs/dbraw/zinc/36/57/38/352365738.db2.gz LIUVLKLUOPEMAR-KBPBESRZSA-N 2 2 298.431 0.348 10 0 CCAELP C[C@H]1CCC[N@@H+](CCNC(=O)NC[C@H]2C[NH+](C)CCO2)C1 ZINC000246412793 352365741 /nfs/dbraw/zinc/36/57/41/352365741.db2.gz LIUVLKLUOPEMAR-KBPBESRZSA-N 2 2 298.431 0.348 10 0 CCAELP C[C@H]1CCC[NH+](CCNC(=O)NC[C@H]2C[N@H+](C)CCO2)C1 ZINC000246412793 352365745 /nfs/dbraw/zinc/36/57/45/352365745.db2.gz LIUVLKLUOPEMAR-KBPBESRZSA-N 2 2 298.431 0.348 10 0 CCAELP C[C@H]1CCC[NH+](CCNC(=O)NC[C@H]2C[N@@H+](C)CCO2)C1 ZINC000246412793 352365749 /nfs/dbraw/zinc/36/57/49/352365749.db2.gz LIUVLKLUOPEMAR-KBPBESRZSA-N 2 2 298.431 0.348 10 0 CCAELP C[N@@H+]1CCO[C@H]2CCN(c3[nH+]cnc4[nH]ccc43)C[C@H]21 ZINC000328946247 283031573 /nfs/dbraw/zinc/03/15/73/283031573.db2.gz JYANJORMVKBAGT-NEPJUHHUSA-N 2 2 273.340 0.867 10 0 CCAELP C[N@H+]1CCO[C@H]2CCN(c3[nH+]cnc4[nH]ccc43)C[C@H]21 ZINC000328946247 283031576 /nfs/dbraw/zinc/03/15/76/283031576.db2.gz JYANJORMVKBAGT-NEPJUHHUSA-N 2 2 273.340 0.867 10 0 CCAELP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000333860723 354807187 /nfs/dbraw/zinc/80/71/87/354807187.db2.gz RZIRCSHRGKKWHF-RQJABVFESA-N 2 2 296.415 0.099 10 0 CCAELP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000333860723 354807194 /nfs/dbraw/zinc/80/71/94/354807194.db2.gz RZIRCSHRGKKWHF-RQJABVFESA-N 2 2 296.415 0.099 10 0 CCAELP CC(C)c1nc(N[C@@H]2CCC[NH2+]C2)nc(N(C)C)[nH+]1 ZINC000333881517 354809995 /nfs/dbraw/zinc/80/99/95/354809995.db2.gz DQIBGARUHVZWLM-SNVBAGLBSA-N 2 2 264.377 0.647 10 0 CCAELP [NH3+][C@H]1CCCN(C(=O)NC[C@H]2CC[NH2+]CC2(F)F)C1 ZINC000335062556 354954161 /nfs/dbraw/zinc/95/41/61/354954161.db2.gz KJBZMJSRPCEETQ-ZJUUUORDSA-N 2 2 276.331 0.364 10 0 CCAELP CC(C)[C@@]1(CO)CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000368002080 357305330 /nfs/dbraw/zinc/30/53/30/357305330.db2.gz ZXHSUDARVPHYKC-HNNXBMFYSA-N 2 2 283.416 0.101 10 0 CCAELP CC(C)[C@@]1(CO)CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000368002080 357305332 /nfs/dbraw/zinc/30/53/32/357305332.db2.gz ZXHSUDARVPHYKC-HNNXBMFYSA-N 2 2 283.416 0.101 10 0 CCAELP CC(C)c1cnc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)s1 ZINC000263193524 535377301 /nfs/dbraw/zinc/37/73/01/535377301.db2.gz IDRZEKREXABZKD-ZJUUUORDSA-N 2 2 255.387 0.936 10 0 CCAELP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cn(C)nn1)CCC2 ZINC000329278011 202263076 /nfs/dbraw/zinc/26/30/76/202263076.db2.gz LWJHLVMLAVAIFJ-LLVKDONJSA-N 2 2 260.345 0.987 10 0 CCAELP C[N@@H+]1CC[C@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)[C@H]2C1 ZINC000329525019 202372834 /nfs/dbraw/zinc/37/28/34/202372834.db2.gz SKSSWWIWBYBFGA-AAEUAGOBSA-N 2 2 262.357 0.895 10 0 CCAELP C[N@H+]1CC[C@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)[C@H]2C1 ZINC000329525019 202372837 /nfs/dbraw/zinc/37/28/37/202372837.db2.gz SKSSWWIWBYBFGA-AAEUAGOBSA-N 2 2 262.357 0.895 10 0 CCAELP C[N@@H+]1CC[C@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)[C@H]2C1 ZINC000329525019 202372840 /nfs/dbraw/zinc/37/28/40/202372840.db2.gz SKSSWWIWBYBFGA-AAEUAGOBSA-N 2 2 262.357 0.895 10 0 CCAELP C[N@H+]1CC[C@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)[C@H]2C1 ZINC000329525019 202372842 /nfs/dbraw/zinc/37/28/42/202372842.db2.gz SKSSWWIWBYBFGA-AAEUAGOBSA-N 2 2 262.357 0.895 10 0 CCAELP OC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000179169554 189174461 /nfs/dbraw/zinc/17/44/61/189174461.db2.gz PRSYTWZNEAGVJL-HUUCEWRRSA-N 2 2 273.336 0.800 10 0 CCAELP OC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000179169554 189174462 /nfs/dbraw/zinc/17/44/62/189174462.db2.gz PRSYTWZNEAGVJL-HUUCEWRRSA-N 2 2 273.336 0.800 10 0 CCAELP Cc1cc(=O)n2nc(C[N@H+]3C[C@H](C)[C@H](C[NH3+])C3)sc2n1 ZINC000631844411 370710338 /nfs/dbraw/zinc/71/03/38/370710338.db2.gz XDCBUYNIWXKPBB-WCBMZHEXSA-N 2 2 293.396 0.486 10 0 CCAELP Cc1cc(=O)n2nc(C[N@@H+]3C[C@H](C)[C@H](C[NH3+])C3)sc2n1 ZINC000631844411 370710343 /nfs/dbraw/zinc/71/03/43/370710343.db2.gz XDCBUYNIWXKPBB-WCBMZHEXSA-N 2 2 293.396 0.486 10 0 CCAELP [NH3+]CC[N@@H+]1CCOC[C@@H](c2ccccc2CCO)C1 ZINC000616661863 365415142 /nfs/dbraw/zinc/41/51/42/365415142.db2.gz ZLIPJTDOJQXOSF-AWEZNQCLSA-N 2 2 264.369 0.596 10 0 CCAELP [NH3+]CC[N@H+]1CCOC[C@@H](c2ccccc2CCO)C1 ZINC000616661863 365415147 /nfs/dbraw/zinc/41/51/47/365415147.db2.gz ZLIPJTDOJQXOSF-AWEZNQCLSA-N 2 2 264.369 0.596 10 0 CCAELP CC(C)(C)OC(=O)NCC[C@@H]1COCC[N@H+](CC[NH3+])C1 ZINC000616661565 365413705 /nfs/dbraw/zinc/41/37/05/365413705.db2.gz UKZRZRIPYZNOOQ-LBPRGKRZSA-N 2 2 287.404 0.808 10 0 CCAELP CC(C)(C)OC(=O)NCC[C@@H]1COCC[N@@H+](CC[NH3+])C1 ZINC000616661565 365413714 /nfs/dbraw/zinc/41/37/14/365413714.db2.gz UKZRZRIPYZNOOQ-LBPRGKRZSA-N 2 2 287.404 0.808 10 0 CCAELP CO[C@@H]1CN(C(=O)CCn2cc[nH+]c2)[C@](C)(C[NH3+])C1 ZINC000630370484 370072065 /nfs/dbraw/zinc/07/20/65/370072065.db2.gz FBYMETFWEMSRLF-AAEUAGOBSA-N 2 2 266.345 0.238 10 0 CCAELP Cc1cc(NC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)cc[nH+]1 ZINC000333193096 205105181 /nfs/dbraw/zinc/10/51/81/205105181.db2.gz SOZSFXWCGCWRFY-AWEZNQCLSA-N 2 2 289.383 0.323 10 0 CCAELP [NH3+]Cc1ncc(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cn1 ZINC000638087044 374646701 /nfs/dbraw/zinc/64/67/01/374646701.db2.gz MMIYDUDEHXAXDN-GFCCVEGCSA-N 2 2 275.356 0.246 10 0 CCAELP [NH3+]Cc1ncc(C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)cn1 ZINC000638087044 374646709 /nfs/dbraw/zinc/64/67/09/374646709.db2.gz MMIYDUDEHXAXDN-GFCCVEGCSA-N 2 2 275.356 0.246 10 0 CCAELP O=C([C@H]1CC(F)(F)C[NH2+]1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000334155288 284542944 /nfs/dbraw/zinc/54/29/44/284542944.db2.gz UWWXDXRXKRFSSH-MWLCHTKSSA-N 2 2 259.300 0.196 10 0 CCAELP C[C@H]1CN(S(=O)(=O)CCn2cc[nH+]c2)C[C@H]1[NH+](C)C ZINC000641378398 377049910 /nfs/dbraw/zinc/04/99/10/377049910.db2.gz QYJDKJBNQKVSMK-NWDGAFQWSA-N 2 2 286.401 0.095 10 0 CCAELP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3nnnn3Cc3ccccc3)C[C@@H]12 ZINC000393942834 285212935 /nfs/dbraw/zinc/21/29/35/285212935.db2.gz MCKZNTOEVDSSSG-RRFJBIMHSA-N 2 2 298.394 0.891 10 0 CCAELP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3nnnn3Cc3ccccc3)C[C@@H]12 ZINC000393942834 285212937 /nfs/dbraw/zinc/21/29/37/285212937.db2.gz MCKZNTOEVDSSSG-RRFJBIMHSA-N 2 2 298.394 0.891 10 0 CCAELP C[C@H]1CCC[N@H+](CCNC(=O)NC[C@@H]2C[NH+](C)CCO2)C1 ZINC000104788599 389084948 /nfs/dbraw/zinc/08/49/48/389084948.db2.gz LIUVLKLUOPEMAR-UONOGXRCSA-N 2 2 298.431 0.348 10 0 CCAELP C[C@H]1CCC[N@@H+](CCNC(=O)NC[C@@H]2C[NH+](C)CCO2)C1 ZINC000104788599 389084951 /nfs/dbraw/zinc/08/49/51/389084951.db2.gz LIUVLKLUOPEMAR-UONOGXRCSA-N 2 2 298.431 0.348 10 0 CCAELP C[C@H]1CCC[NH+](CCNC(=O)NC[C@@H]2C[N@H+](C)CCO2)C1 ZINC000104788599 389084953 /nfs/dbraw/zinc/08/49/53/389084953.db2.gz LIUVLKLUOPEMAR-UONOGXRCSA-N 2 2 298.431 0.348 10 0 CCAELP C[C@H]1CCC[NH+](CCNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000104788599 389084956 /nfs/dbraw/zinc/08/49/56/389084956.db2.gz LIUVLKLUOPEMAR-UONOGXRCSA-N 2 2 298.431 0.348 10 0 CCAELP CC[C@]1(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)CCC[NH2+]1 ZINC000122117416 389151084 /nfs/dbraw/zinc/15/10/84/389151084.db2.gz CNZJDNRXTTXLDE-UKRRQHHQSA-N 2 2 281.400 0.452 10 0 CCAELP CC(C)n1nnnc1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000162305735 389418980 /nfs/dbraw/zinc/41/89/80/389418980.db2.gz YJYFBNMVXFUINB-UHFFFAOYSA-N 2 2 263.349 0.973 10 0 CCAELP CC(C)n1nnnc1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000162305735 389418983 /nfs/dbraw/zinc/41/89/83/389418983.db2.gz YJYFBNMVXFUINB-UHFFFAOYSA-N 2 2 263.349 0.973 10 0 CCAELP CCC[C@H](C(=O)NC[C@@H]1C[N@H+](C)CCO1)[NH+](C)C ZINC000162514429 389419281 /nfs/dbraw/zinc/41/92/81/389419281.db2.gz UKWNWVWKUUTVBA-VXGBXAGGSA-N 2 2 257.378 0.164 10 0 CCAELP CCC[C@H](C(=O)NC[C@@H]1C[N@@H+](C)CCO1)[NH+](C)C ZINC000162514429 389419283 /nfs/dbraw/zinc/41/92/83/389419283.db2.gz UKWNWVWKUUTVBA-VXGBXAGGSA-N 2 2 257.378 0.164 10 0 CCAELP CN(c1cc(N2CCCC[C@@H]2CO)nc[nH+]1)C1CC([NH3+])C1 ZINC000333886717 389448426 /nfs/dbraw/zinc/44/84/26/389448426.db2.gz FZEQVJOOHDRTTC-OTTFEQOBSA-N 2 2 291.399 0.754 10 0 CCAELP CN(c1cc(N2CCCC[C@@H]2CO)[nH+]cn1)C1CC([NH3+])C1 ZINC000333886717 389448431 /nfs/dbraw/zinc/44/84/31/389448431.db2.gz FZEQVJOOHDRTTC-OTTFEQOBSA-N 2 2 291.399 0.754 10 0 CCAELP CC[C@@H]1CN(CCC[NH+]2CCOCC2)CC[N@@H+]1CCOC ZINC000173679837 389508211 /nfs/dbraw/zinc/50/82/11/389508211.db2.gz JRNBSKXKYBOBSQ-MRXNPFEDSA-N 2 2 299.459 0.751 10 0 CCAELP CC[C@@H]1CN(CCC[NH+]2CCOCC2)CC[N@H+]1CCOC ZINC000173679837 389508212 /nfs/dbraw/zinc/50/82/12/389508212.db2.gz JRNBSKXKYBOBSQ-MRXNPFEDSA-N 2 2 299.459 0.751 10 0 CCAELP O[C@]1(C[NH2+]C2CC[NH2+]CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000422972815 389513612 /nfs/dbraw/zinc/51/36/12/389513612.db2.gz AKTAMLSTNVPJKO-KRWDZBQOSA-N 3 2 289.423 0.965 10 0 CCAELP O[C@]1(C[NH2+]C2CC[NH2+]CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000422972815 389513615 /nfs/dbraw/zinc/51/36/15/389513615.db2.gz AKTAMLSTNVPJKO-KRWDZBQOSA-N 3 2 289.423 0.965 10 0 CCAELP C[C@@H](C[NH+]1CCOCC1)N1CCC[N@@H+](C2CC2)CC1 ZINC000180593981 389672943 /nfs/dbraw/zinc/67/29/43/389672943.db2.gz OLLSLMONJIEMIU-AWEZNQCLSA-N 2 2 267.417 0.877 10 0 CCAELP C[C@@H](C[NH+]1CCOCC1)N1CCC[N@H+](C2CC2)CC1 ZINC000180593981 389672944 /nfs/dbraw/zinc/67/29/44/389672944.db2.gz OLLSLMONJIEMIU-AWEZNQCLSA-N 2 2 267.417 0.877 10 0 CCAELP COc1c(O)cccc1C[NH2+]C[C@H]1C[NH2+]C[C@@H]1O ZINC000262084053 143936626 /nfs/dbraw/zinc/93/66/26/143936626.db2.gz FUNZJOBUCUSUHJ-JQWIXIFHSA-N 2 2 252.314 0.071 10 0 CCAELP CC[N@H+](C)C[C@H](O)C[NH+]1CCO[C@H]2CCCC[C@@H]21 ZINC000311147093 411750474 /nfs/dbraw/zinc/75/04/74/411750474.db2.gz MIMLQLQDGJTKCM-IHRRRGAJSA-N 2 2 256.390 0.942 10 0 CCAELP CC[N@@H+](C)C[C@H](O)C[NH+]1CCO[C@H]2CCCC[C@@H]21 ZINC000311147093 411750479 /nfs/dbraw/zinc/75/04/79/411750479.db2.gz MIMLQLQDGJTKCM-IHRRRGAJSA-N 2 2 256.390 0.942 10 0 CCAELP CC[NH+](C)C[C@H](O)C[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000311147093 411750483 /nfs/dbraw/zinc/75/04/83/411750483.db2.gz MIMLQLQDGJTKCM-IHRRRGAJSA-N 2 2 256.390 0.942 10 0 CCAELP CC[NH+](C)C[C@H](O)C[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000311147093 411750485 /nfs/dbraw/zinc/75/04/85/411750485.db2.gz MIMLQLQDGJTKCM-IHRRRGAJSA-N 2 2 256.390 0.942 10 0 CCAELP [NH3+][C@@H](C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)C1CCC1 ZINC000398953504 411774497 /nfs/dbraw/zinc/77/44/97/411774497.db2.gz GAFSHYCZEWPWPL-CHWSQXEVSA-N 2 2 267.373 0.047 10 0 CCAELP O=C(N[C@H]1C[C@H]2C[C@@H]1C[NH2+]2)c1ccn2cc[nH+]c2c1 ZINC000039073314 174162338 /nfs/dbraw/zinc/16/23/38/174162338.db2.gz ONLMJXSVHYOFAJ-UTUOFQBUSA-N 2 2 256.309 0.815 10 0 CCAELP CCN(CC)c1[nH+]cnc(NCC[NH+]2CCOCC2)c1N ZINC000040723348 174386121 /nfs/dbraw/zinc/38/61/21/174386121.db2.gz RNUBCNBTOQPNJS-UHFFFAOYSA-N 2 2 294.403 0.649 10 0 CCAELP C[C@H]1C[C@H]1NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000179310692 544751722 /nfs/dbraw/zinc/75/17/22/544751722.db2.gz ZGBYVEHFFVOYBC-WCQYABFASA-N 2 2 268.405 0.720 10 0 CCAELP CCOCC[N@@H+]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC000193292150 544805003 /nfs/dbraw/zinc/80/50/03/544805003.db2.gz CDXFMUZAUSEXRH-ZDUSSCGKSA-N 2 2 294.399 0.912 10 0 CCAELP CCOCC[N@H+]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC000193292150 544805007 /nfs/dbraw/zinc/80/50/07/544805007.db2.gz CDXFMUZAUSEXRH-ZDUSSCGKSA-N 2 2 294.399 0.912 10 0 CCAELP CCOCC[N@@H+]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC000193292150 544805011 /nfs/dbraw/zinc/80/50/11/544805011.db2.gz CDXFMUZAUSEXRH-ZDUSSCGKSA-N 2 2 294.399 0.912 10 0 CCAELP CCOCC[N@H+]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC000193292150 544805015 /nfs/dbraw/zinc/80/50/15/544805015.db2.gz CDXFMUZAUSEXRH-ZDUSSCGKSA-N 2 2 294.399 0.912 10 0 CCAELP COc1ccc(OC)c(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)c1 ZINC000262119062 544941088 /nfs/dbraw/zinc/94/10/88/544941088.db2.gz LSWKMMHLPQXKHP-DGCLKSJQSA-N 2 2 266.341 0.374 10 0 CCAELP C[C@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)[NH+]1CCOCC1 ZINC000333941443 545044680 /nfs/dbraw/zinc/04/46/80/545044680.db2.gz OZKUUSCYZWNSII-MCIONIFRSA-N 2 2 296.415 0.243 10 0 CCAELP C[N@@H+]1CCN(c2ccnc3cccnc32)[C@H](C[NH3+])C1 ZINC000394222868 260125944 /nfs/dbraw/zinc/12/59/44/260125944.db2.gz IGNWYCOXVMTNIW-LLVKDONJSA-N 2 2 257.341 0.709 10 0 CCAELP C[N@H+]1CCN(c2ccnc3cccnc32)[C@H](C[NH3+])C1 ZINC000394222868 260125945 /nfs/dbraw/zinc/12/59/45/260125945.db2.gz IGNWYCOXVMTNIW-LLVKDONJSA-N 2 2 257.341 0.709 10 0 CCAELP C[N@@H+]1CCO[C@@H]2CCN(c3[nH+]cnc4[nH]ccc43)C[C@H]21 ZINC000328946252 277121696 /nfs/dbraw/zinc/12/16/96/277121696.db2.gz JYANJORMVKBAGT-VXGBXAGGSA-N 2 2 273.340 0.867 10 0 CCAELP C[N@H+]1CCO[C@@H]2CCN(c3[nH+]cnc4[nH]ccc43)C[C@H]21 ZINC000328946252 277121697 /nfs/dbraw/zinc/12/16/97/277121697.db2.gz JYANJORMVKBAGT-VXGBXAGGSA-N 2 2 273.340 0.867 10 0 CCAELP CCc1nc(NC[C@H]2C[N@H+](CC)CCO2)cc(C)[nH+]1 ZINC000381824041 545084895 /nfs/dbraw/zinc/08/48/95/545084895.db2.gz OIJKMSZVWPFVKV-LBPRGKRZSA-N 2 2 264.373 0.902 10 0 CCAELP CCc1nc(NC[C@H]2C[N@@H+](CC)CCO2)cc(C)[nH+]1 ZINC000381824041 545084896 /nfs/dbraw/zinc/08/48/96/545084896.db2.gz OIJKMSZVWPFVKV-LBPRGKRZSA-N 2 2 264.373 0.902 10 0 CCAELP CCN1C(=O)C[C@@H]([NH2+][C@H](C)Cn2cc[nH+]c2)C1=O ZINC000049234896 521522195 /nfs/dbraw/zinc/52/21/95/521522195.db2.gz PRDKQURJCYJTEF-NXEZZACHSA-N 2 2 250.302 0.009 10 0 CCAELP C(CN1CCC[NH2+]CC1)[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000061275661 518388018 /nfs/dbraw/zinc/38/80/18/518388018.db2.gz RLKDVZUXCOWMGW-CYBMUJFWSA-N 3 2 252.406 0.108 10 0 CCAELP C(CN1CCC[NH2+]CC1)[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000061275661 518388025 /nfs/dbraw/zinc/38/80/25/518388025.db2.gz RLKDVZUXCOWMGW-CYBMUJFWSA-N 3 2 252.406 0.108 10 0 CCAELP CC(C)[NH2+]CCC[NH+]1CCN(CC[NH+](C)C)CC1 ZINC000061644422 519720452 /nfs/dbraw/zinc/72/04/52/519720452.db2.gz ITBUHTUBSJASKM-UHFFFAOYSA-N 3 2 256.438 0.554 10 0 CCAELP CC[NH2+]CC[C@H](C)[NH+]1CCN(c2ncccn2)CC1 ZINC000052418514 519927296 /nfs/dbraw/zinc/92/72/96/519927296.db2.gz JRZMCDVPQWVQQB-ZDUSSCGKSA-N 2 2 263.389 0.987 10 0 CCAELP CC[NH+](CC)C[C@@H](C)NC(=O)c1ccc(NN)[nH+]n1 ZINC000051117136 520718015 /nfs/dbraw/zinc/71/80/15/520718015.db2.gz XTYVHVJLWNATAO-SECBINFHSA-N 2 2 266.349 0.222 10 0 CCAELP CN[C@@H](CC[NH+]1CCC([NH+](C)C)CC1)C(=O)OC ZINC000062449371 522343860 /nfs/dbraw/zinc/34/38/60/522343860.db2.gz PXAQGPUSCZTYTF-LBPRGKRZSA-N 2 2 257.378 0.164 10 0 CCAELP C[NH2+][C@@H](CCN1CCC([NH+](C)C)CC1)C(=O)OC ZINC000062449371 522343873 /nfs/dbraw/zinc/34/38/73/522343873.db2.gz PXAQGPUSCZTYTF-LBPRGKRZSA-N 2 2 257.378 0.164 10 0 CCAELP [NH3+]C[C@@H]1CCC[C@H](C(=O)NCC[NH+]2CCOCC2)C1 ZINC000055145803 527214920 /nfs/dbraw/zinc/21/49/20/527214920.db2.gz RICWUZLFEHYQOM-OLZOCXBDSA-N 2 2 269.389 0.200 10 0 CCAELP Cc1nc(N2CCC[N@@H+](C[C@@H](C)C[NH3+])CC2)cc[nH+]1 ZINC000054935425 527344266 /nfs/dbraw/zinc/34/42/66/527344266.db2.gz BCYDALULVOVPJO-LBPRGKRZSA-N 3 2 263.389 0.892 10 0 CCAELP Cc1nc(N2CCC[N@H+](C[C@@H](C)C[NH3+])CC2)cc[nH+]1 ZINC000054935425 527344272 /nfs/dbraw/zinc/34/42/72/527344272.db2.gz BCYDALULVOVPJO-LBPRGKRZSA-N 3 2 263.389 0.892 10 0 CCAELP CCn1ncc(Br)c1C1=C[C@H]([NH3+])C[NH2+]C1 ZINC000675077455 545321201 /nfs/dbraw/zinc/32/12/01/545321201.db2.gz FEYUVXSMGQNYNJ-QMMMGPOBSA-N 2 2 271.162 0.979 10 0 CCAELP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000252664132 536325953 /nfs/dbraw/zinc/32/59/53/536325953.db2.gz UVVIONPEIOMDJN-GRYCIOLGSA-N 2 2 293.371 0.610 10 0 CCAELP CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000252664132 536325955 /nfs/dbraw/zinc/32/59/55/536325955.db2.gz UVVIONPEIOMDJN-GRYCIOLGSA-N 2 2 293.371 0.610 10 0 CCAELP C[C@@H]([NH2+]C1CC[NH+](CCO)CC1)c1cnn(C)c1 ZINC000399279837 581208925 /nfs/dbraw/zinc/20/89/25/581208925.db2.gz XAZPTRCWZGRYCV-LLVKDONJSA-N 2 2 252.362 0.527 10 0 CCAELP C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000865190609 616196970 /nfs/dbraw/zinc/19/69/70/616196970.db2.gz BPNMQYQNMIQAAV-UPJWGTAASA-N 2 2 278.356 0.528 10 0 CCAELP C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000865190609 616196971 /nfs/dbraw/zinc/19/69/71/616196971.db2.gz BPNMQYQNMIQAAV-UPJWGTAASA-N 2 2 278.356 0.528 10 0 CCAELP CCn1ccnc(NCC[NH+]2CCC([NH3+])CC2)c1=O ZINC000321364560 632844995 /nfs/dbraw/zinc/84/49/95/632844995.db2.gz BTPIGAQELQEDIO-UHFFFAOYSA-N 2 2 265.361 0.098 10 0 CCAELP O=S(=O)([C@@H]1CCC[NH2+]C1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000227382862 637023613 /nfs/dbraw/zinc/02/36/13/637023613.db2.gz HMGVRNVWHQFJJC-CHWSQXEVSA-N 2 2 287.429 0.238 10 0 CCAELP O=S(=O)([C@@H]1CCC[NH2+]C1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000227382862 637023617 /nfs/dbraw/zinc/02/36/17/637023617.db2.gz HMGVRNVWHQFJJC-CHWSQXEVSA-N 2 2 287.429 0.238 10 0 CCAELP CO[C@@H]1CC(=O)N(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)C1 ZINC000189163577 649371806 /nfs/dbraw/zinc/37/18/06/649371806.db2.gz VZQCVKDRISINFO-UONOGXRCSA-N 2 2 292.383 0.861 10 0 CCAELP CO[C@@H]1CC(=O)N(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)C1 ZINC000189163577 649371808 /nfs/dbraw/zinc/37/18/08/649371808.db2.gz VZQCVKDRISINFO-UONOGXRCSA-N 2 2 292.383 0.861 10 0 CCAELP COc1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)c(OC)c1OC ZINC000263166072 137059773 /nfs/dbraw/zinc/05/97/73/137059773.db2.gz FEFMBVBWCLAZOM-VXGBXAGGSA-N 2 2 296.367 0.382 10 0 CCAELP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cc(F)c(F)cc1F ZINC000263167103 137059799 /nfs/dbraw/zinc/05/97/99/137059799.db2.gz FHAYAFCGHDKPQS-PELKAZGASA-N 2 2 260.259 0.774 10 0 CCAELP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cccc2c1OCCCO2 ZINC000262199442 137030496 /nfs/dbraw/zinc/03/04/96/137030496.db2.gz ZYAOEOQSSUVKHA-OLZOCXBDSA-N 2 2 278.352 0.518 10 0 CCAELP CO[C@H]1C[C@@H](C(=O)NCC[NH+]2CC=CCC2)[N@H+](C)C1 ZINC000346702678 137300915 /nfs/dbraw/zinc/30/09/15/137300915.db2.gz PAUWDZHPLYRKKY-STQMWFEESA-N 2 2 267.373 0.084 10 0 CCAELP CO[C@H]1C[C@@H](C(=O)NCC[NH+]2CC=CCC2)[N@@H+](C)C1 ZINC000346702678 137300916 /nfs/dbraw/zinc/30/09/16/137300916.db2.gz PAUWDZHPLYRKKY-STQMWFEESA-N 2 2 267.373 0.084 10 0 CCAELP CO[C@H]1C[C@@H](C(=O)NCC[N@H+]2CC=CCC2)[NH+](C)C1 ZINC000346702678 137300917 /nfs/dbraw/zinc/30/09/17/137300917.db2.gz PAUWDZHPLYRKKY-STQMWFEESA-N 2 2 267.373 0.084 10 0 CCAELP CO[C@H]1C[C@@H](C(=O)NCC[N@@H+]2CC=CCC2)[NH+](C)C1 ZINC000346702678 137300918 /nfs/dbraw/zinc/30/09/18/137300918.db2.gz PAUWDZHPLYRKKY-STQMWFEESA-N 2 2 267.373 0.084 10 0 CCAELP CCC[C@H](C(=O)N1CC[C@H]([NH+]2CCOCC2)C1)[NH+](C)C ZINC000120946762 350015372 /nfs/dbraw/zinc/01/53/72/350015372.db2.gz RADHDGWDHJRTIV-UONOGXRCSA-N 2 2 283.416 0.650 10 0 CCAELP O=C(C1C[NH2+]C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000091412624 180149098 /nfs/dbraw/zinc/14/90/98/180149098.db2.gz IWSJMAKYKUWYPH-UHFFFAOYSA-N 2 2 265.382 0.612 10 0 CCAELP CCC[C@H](C(=O)NC[C@H](C)[NH+]1CCOCC1)[NH+](C)C ZINC000161512808 350723131 /nfs/dbraw/zinc/72/31/31/350723131.db2.gz MLAFGEQBVIFLBY-QWHCGFSZSA-N 2 2 271.405 0.554 10 0 CCAELP C[N@@H+]1CCN(c2ccc(C(F)(F)F)nn2)[C@H](C[NH3+])C1 ZINC000167124165 350806371 /nfs/dbraw/zinc/80/63/71/350806371.db2.gz IMNBZWFUERBSSZ-MRVPVSSYSA-N 2 2 275.278 0.575 10 0 CCAELP C[N@H+]1CCN(c2ccc(C(F)(F)F)nn2)[C@H](C[NH3+])C1 ZINC000167124165 350806375 /nfs/dbraw/zinc/80/63/75/350806375.db2.gz IMNBZWFUERBSSZ-MRVPVSSYSA-N 2 2 275.278 0.575 10 0 CCAELP COC(=O)[C@@H](C)[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245444032 352322701 /nfs/dbraw/zinc/32/27/01/352322701.db2.gz XRJPBHLTWUIKHI-ZIAGYGMSSA-N 2 2 283.416 0.650 10 0 CCAELP COC(=O)[C@@H](C)[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245444032 352322705 /nfs/dbraw/zinc/32/27/05/352322705.db2.gz XRJPBHLTWUIKHI-ZIAGYGMSSA-N 2 2 283.416 0.650 10 0 CCAELP CCOCC[N@@H+]1CCN([C@@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC000245974022 352343629 /nfs/dbraw/zinc/34/36/29/352343629.db2.gz GAXVFLICOFCNTG-JKSUJKDBSA-N 2 2 299.459 0.750 10 0 CCAELP CCOCC[N@H+]1CCN([C@@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC000245974022 352343632 /nfs/dbraw/zinc/34/36/32/352343632.db2.gz GAXVFLICOFCNTG-JKSUJKDBSA-N 2 2 299.459 0.750 10 0 CCAELP C[C@@H]1C[C@H](NC(=O)NC[C@H]2C[NH+](C)CCO2)C[N@@H+]1C1CC1 ZINC000246975446 352391071 /nfs/dbraw/zinc/39/10/71/352391071.db2.gz PKOFCGGOPMTVFY-DYEKYZERSA-N 2 2 296.415 0.241 10 0 CCAELP C[C@@H]1C[C@H](NC(=O)NC[C@H]2C[NH+](C)CCO2)C[N@H+]1C1CC1 ZINC000246975446 352391078 /nfs/dbraw/zinc/39/10/78/352391078.db2.gz PKOFCGGOPMTVFY-DYEKYZERSA-N 2 2 296.415 0.241 10 0 CCAELP C[C@@H]1C[C@H](NC(=O)NC[C@H]2C[N@H+](C)CCO2)C[NH+]1C1CC1 ZINC000246975446 352391082 /nfs/dbraw/zinc/39/10/82/352391082.db2.gz PKOFCGGOPMTVFY-DYEKYZERSA-N 2 2 296.415 0.241 10 0 CCAELP C[C@@H]1C[C@H](NC(=O)NC[C@H]2C[N@@H+](C)CCO2)C[NH+]1C1CC1 ZINC000246975446 352391087 /nfs/dbraw/zinc/39/10/87/352391087.db2.gz PKOFCGGOPMTVFY-DYEKYZERSA-N 2 2 296.415 0.241 10 0 CCAELP CC(C)[N@H+](C)CC(=O)N1CCN(C)[C@H](c2[nH]cc[nH+]2)C1 ZINC000328627992 354241249 /nfs/dbraw/zinc/24/12/49/354241249.db2.gz NGUPOCMPJZCCCK-LBPRGKRZSA-N 2 2 279.388 0.565 10 0 CCAELP CC(C)[N@@H+](C)CC(=O)N1CCN(C)[C@H](c2[nH]cc[nH+]2)C1 ZINC000328627992 354241254 /nfs/dbraw/zinc/24/12/54/354241254.db2.gz NGUPOCMPJZCCCK-LBPRGKRZSA-N 2 2 279.388 0.565 10 0 CCAELP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000333860721 354806536 /nfs/dbraw/zinc/80/65/36/354806536.db2.gz RZIRCSHRGKKWHF-RFGFWPKPSA-N 2 2 296.415 0.099 10 0 CCAELP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000333860721 354806539 /nfs/dbraw/zinc/80/65/39/354806539.db2.gz RZIRCSHRGKKWHF-RFGFWPKPSA-N 2 2 296.415 0.099 10 0 CCAELP C[C@H]1C[N@H+](C)CCN1c1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000408388475 358067776 /nfs/dbraw/zinc/06/77/76/358067776.db2.gz CQMUULNQDYHWBR-QWHCGFSZSA-N 2 2 291.399 0.578 10 0 CCAELP C[C@H]1C[N@@H+](C)CCN1c1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000408388475 358067779 /nfs/dbraw/zinc/06/77/79/358067779.db2.gz CQMUULNQDYHWBR-QWHCGFSZSA-N 2 2 291.399 0.578 10 0 CCAELP COCCC1CC[NH+](Cc2noc(C[NH3+])n2)CC1 ZINC000530225967 358383084 /nfs/dbraw/zinc/38/30/84/358383084.db2.gz ZDYUHSYPUXYFJO-UHFFFAOYSA-N 2 2 254.334 0.777 10 0 CCAELP CCc1nnc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)n1C ZINC000569693896 358785175 /nfs/dbraw/zinc/78/51/75/358785175.db2.gz AJMFRYUBKULODS-QJPTWQEYSA-N 2 2 263.389 0.937 10 0 CCAELP CCc1nnc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)n1C ZINC000569693896 358785176 /nfs/dbraw/zinc/78/51/76/358785176.db2.gz AJMFRYUBKULODS-QJPTWQEYSA-N 2 2 263.389 0.937 10 0 CCAELP CCN1CC[C@@H]2C[N@H+](CCC[NH+](C)C)CCN2C1=O ZINC000584640112 359185102 /nfs/dbraw/zinc/18/51/02/359185102.db2.gz QYLPIHLYZUDPDG-CYBMUJFWSA-N 2 2 268.405 0.770 10 0 CCAELP CCN1CC[C@@H]2C[N@@H+](CCC[NH+](C)C)CCN2C1=O ZINC000584640112 359185105 /nfs/dbraw/zinc/18/51/05/359185105.db2.gz QYLPIHLYZUDPDG-CYBMUJFWSA-N 2 2 268.405 0.770 10 0 CCAELP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000177176078 189034417 /nfs/dbraw/zinc/03/44/17/189034417.db2.gz HYQQTOPBRXYMFI-KGLIPLIRSA-N 2 2 292.383 0.513 10 0 CCAELP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000177176078 189034418 /nfs/dbraw/zinc/03/44/18/189034418.db2.gz HYQQTOPBRXYMFI-KGLIPLIRSA-N 2 2 292.383 0.513 10 0 CCAELP C[C@@H](C[NH2+][C@@H]1CCCC[C@H]1O)C[NH+]1CCOCC1 ZINC000563432640 291228943 /nfs/dbraw/zinc/22/89/43/291228943.db2.gz JNPOGMUGHQWFHS-BFHYXJOUSA-N 2 2 256.390 0.848 10 0 CCAELP CCOC(=O)C[C@H](O)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000599292264 361636264 /nfs/dbraw/zinc/63/62/64/361636264.db2.gz AAQYOYJIHPCOQL-RYUDHWBXSA-N 2 2 258.362 0.184 10 0 CCAELP CCOC(=O)C[C@H](O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000599292264 361636269 /nfs/dbraw/zinc/63/62/69/361636269.db2.gz AAQYOYJIHPCOQL-RYUDHWBXSA-N 2 2 258.362 0.184 10 0 CCAELP Cc1cc(NC(=O)C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)on1 ZINC000631840483 370705904 /nfs/dbraw/zinc/70/59/04/370705904.db2.gz CLUXDKLLUAJZTB-WCBMZHEXSA-N 2 2 252.318 0.448 10 0 CCAELP Cc1cc(NC(=O)C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)on1 ZINC000631840483 370705909 /nfs/dbraw/zinc/70/59/09/370705909.db2.gz CLUXDKLLUAJZTB-WCBMZHEXSA-N 2 2 252.318 0.448 10 0 CCAELP C[C@H]1C[N@H+](CC(=O)Nc2nccs2)C[C@@H]1C[NH3+] ZINC000631839988 370705442 /nfs/dbraw/zinc/70/54/42/370705442.db2.gz NUSAYQHVBNKFEP-IUCAKERBSA-N 2 2 254.359 0.608 10 0 CCAELP C[C@H]1C[N@@H+](CC(=O)Nc2nccs2)C[C@@H]1C[NH3+] ZINC000631839988 370705447 /nfs/dbraw/zinc/70/54/47/370705447.db2.gz NUSAYQHVBNKFEP-IUCAKERBSA-N 2 2 254.359 0.608 10 0 CCAELP CC(C)[C@@H](C(=O)N1CCn2cc[nH+]c2C1)[C@@H](C)[NH3+] ZINC000335603449 212316507 /nfs/dbraw/zinc/31/65/07/212316507.db2.gz JCUNGOFKCBCZGK-ZYHUDNBSSA-N 2 2 250.346 0.845 10 0 CCAELP [NH3+]C[C@@H]1CN(c2cc(NC3CC3)[nH+]cn2)CCCO1 ZINC000333475926 205355419 /nfs/dbraw/zinc/35/54/19/205355419.db2.gz BKXQTNFVPJAHMT-LLVKDONJSA-N 2 2 263.345 0.605 10 0 CCAELP [NH3+]C[C@@H]1CN(c2cc(NC3CC3)nc[nH+]2)CCCO1 ZINC000333475926 205355421 /nfs/dbraw/zinc/35/54/21/205355421.db2.gz BKXQTNFVPJAHMT-LLVKDONJSA-N 2 2 263.345 0.605 10 0 CCAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCO[C@H](CO)C1 ZINC000329731455 389193601 /nfs/dbraw/zinc/19/36/01/389193601.db2.gz GQOAAMYTLXXQAB-HNNXBMFYSA-N 2 2 288.351 0.769 10 0 CCAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCO[C@H](CO)C1 ZINC000329731455 389193603 /nfs/dbraw/zinc/19/36/03/389193603.db2.gz GQOAAMYTLXXQAB-HNNXBMFYSA-N 2 2 288.351 0.769 10 0 CCAELP Nc1nc(-n2cccn2)cc(N2CC[N@@H+]3CCC[C@H]3C2)[nH+]1 ZINC000245537111 389212311 /nfs/dbraw/zinc/21/23/11/389212311.db2.gz MBRDCZTYXUTUNO-NSHDSACASA-N 2 2 285.355 0.529 10 0 CCAELP Nc1nc(-n2cccn2)cc(N2CC[N@H+]3CCC[C@H]3C2)[nH+]1 ZINC000245537111 389212313 /nfs/dbraw/zinc/21/23/13/389212313.db2.gz MBRDCZTYXUTUNO-NSHDSACASA-N 2 2 285.355 0.529 10 0 CCAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@H]2C[NH+](C)CCO2)C1 ZINC000247012225 389235065 /nfs/dbraw/zinc/23/50/65/389235065.db2.gz HEDQNVGTTGYACA-RDBSUJKOSA-N 2 2 298.431 0.345 10 0 CCAELP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@H]2C[NH+](C)CCO2)C1 ZINC000247012225 389235067 /nfs/dbraw/zinc/23/50/67/389235067.db2.gz HEDQNVGTTGYACA-RDBSUJKOSA-N 2 2 298.431 0.345 10 0 CCAELP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)NC[C@H]2C[N@H+](C)CCO2)C1 ZINC000247012225 389235069 /nfs/dbraw/zinc/23/50/69/389235069.db2.gz HEDQNVGTTGYACA-RDBSUJKOSA-N 2 2 298.431 0.345 10 0 CCAELP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)NC[C@H]2C[N@@H+](C)CCO2)C1 ZINC000247012225 389235070 /nfs/dbraw/zinc/23/50/70/389235070.db2.gz HEDQNVGTTGYACA-RDBSUJKOSA-N 2 2 298.431 0.345 10 0 CCAELP OC1(C[NH2+][C@H]2CC[NH2+]C2)CC[NH+](Cc2ccccc2)CC1 ZINC000397489646 389778863 /nfs/dbraw/zinc/77/88/63/389778863.db2.gz HFZWBJKUFLBBKF-INIZCTEOSA-N 3 2 289.423 0.965 10 0 CCAELP CCc1nc(N2CCO[C@@H]([C@H](C)[NH3+])C2)cc(C)[nH+]1 ZINC000385517407 397498735 /nfs/dbraw/zinc/49/87/35/397498735.db2.gz YHOYDANXKBYFNW-WDEREUQCSA-N 2 2 250.346 0.900 10 0 CCAELP CC(C)([NH3+])CCC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000070088482 411690357 /nfs/dbraw/zinc/69/03/57/411690357.db2.gz OOHJSOCAULWHEY-LBPRGKRZSA-N 2 2 269.389 0.437 10 0 CCAELP CCC[NH+]1CCN(S(=O)(=O)c2cc[nH+]c(NN)c2)CC1 ZINC000038008863 173973573 /nfs/dbraw/zinc/97/35/73/173973573.db2.gz LLRVNNQXMVJHCF-UHFFFAOYSA-N 2 2 299.400 0.084 10 0 CCAELP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000662622781 414733863 /nfs/dbraw/zinc/73/38/63/414733863.db2.gz UBRXDGHGPBDDDM-NXEZZACHSA-N 2 2 275.343 0.973 10 0 CCAELP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000662622781 414733864 /nfs/dbraw/zinc/73/38/64/414733864.db2.gz UBRXDGHGPBDDDM-NXEZZACHSA-N 2 2 275.343 0.973 10 0 CCAELP CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000662702625 414743592 /nfs/dbraw/zinc/74/35/92/414743592.db2.gz AKYCJUZIRWKQFK-VHSXEESVSA-N 2 2 261.316 0.584 10 0 CCAELP CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000662702625 414743593 /nfs/dbraw/zinc/74/35/93/414743593.db2.gz AKYCJUZIRWKQFK-VHSXEESVSA-N 2 2 261.316 0.584 10 0 CCAELP O=C(C[C@H]1CCC[NH2+]C1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062976837 544447254 /nfs/dbraw/zinc/44/72/54/544447254.db2.gz RBTCMDMRFXFXQI-KGLIPLIRSA-N 2 2 281.400 0.309 10 0 CCAELP CN(C)c1[nH+]cc(C[NH2+][C@H]2CCC[C@H](O)C2)n1C ZINC000070143544 544448582 /nfs/dbraw/zinc/44/85/82/544448582.db2.gz UBIYIDWBKNEPEI-JQWIXIFHSA-N 2 2 252.362 0.879 10 0 CCAELP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CC[NH+](C)CC1)C2 ZINC000220577850 544816440 /nfs/dbraw/zinc/81/64/40/544816440.db2.gz KGVKHKASENZWHO-LLVKDONJSA-N 2 2 262.357 0.597 10 0 CCAELP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N1CC[NH+](C)CC1)CC2 ZINC000220577850 544816443 /nfs/dbraw/zinc/81/64/43/544816443.db2.gz KGVKHKASENZWHO-LLVKDONJSA-N 2 2 262.357 0.597 10 0 CCAELP COc1ccc(OC)c(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)c1 ZINC000262119059 544940830 /nfs/dbraw/zinc/94/08/30/544940830.db2.gz LSWKMMHLPQXKHP-AAEUAGOBSA-N 2 2 266.341 0.374 10 0 CCAELP C[C@@H](CNC(=O)N[C@H]1CCCC[NH2+]C1)[NH+]1CCOCC1 ZINC000333899475 545044445 /nfs/dbraw/zinc/04/44/45/545044445.db2.gz BICNXEKZKLSGBI-STQMWFEESA-N 2 2 284.404 0.148 10 0 CCAELP CC[N@@H+]1CC[C@H](NC(=O)NC[C@@H](C)[NH+]2CCOCC2)C1 ZINC000334022792 545044900 /nfs/dbraw/zinc/04/49/00/545044900.db2.gz DRTMZXJEJNEVJJ-OLZOCXBDSA-N 2 2 284.404 0.101 10 0 CCAELP CC[N@H+]1CC[C@H](NC(=O)NC[C@@H](C)[NH+]2CCOCC2)C1 ZINC000334022792 545044901 /nfs/dbraw/zinc/04/49/01/545044901.db2.gz DRTMZXJEJNEVJJ-OLZOCXBDSA-N 2 2 284.404 0.101 10 0 CCAELP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCc2nnnn2CC1 ZINC000333629278 288133212 /nfs/dbraw/zinc/13/32/12/288133212.db2.gz ARSULURSRGJGPX-NTZNESFSSA-N 2 2 276.388 0.450 10 0 CCAELP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCc2nnnn2CC1 ZINC000333629278 288133216 /nfs/dbraw/zinc/13/32/16/288133216.db2.gz ARSULURSRGJGPX-NTZNESFSSA-N 2 2 276.388 0.450 10 0 CCAELP O=C(c1n[nH]c2c1C[NH2+]CC2)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000188802547 280156056 /nfs/dbraw/zinc/15/60/56/280156056.db2.gz LLCBRJVOGNJQGU-JTQLQIEISA-N 2 2 289.383 0.412 10 0 CCAELP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000085638664 290036866 /nfs/dbraw/zinc/03/68/66/290036866.db2.gz MMHAHLPCWZJRJE-RQJABVFESA-N 2 2 267.417 0.635 10 0 CCAELP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000085638664 290036869 /nfs/dbraw/zinc/03/68/69/290036869.db2.gz MMHAHLPCWZJRJE-RQJABVFESA-N 2 2 267.417 0.635 10 0 CCAELP CCc1cc(CC)nc(N2CC[N@H+](C)C[C@@H]2C[NH3+])n1 ZINC000382290092 336085600 /nfs/dbraw/zinc/08/56/00/336085600.db2.gz MDKDQZHSTKCLRV-ZDUSSCGKSA-N 2 2 263.389 0.681 10 0 CCAELP CCc1cc(CC)nc(N2CC[N@@H+](C)C[C@@H]2C[NH3+])n1 ZINC000382290092 336085602 /nfs/dbraw/zinc/08/56/02/336085602.db2.gz MDKDQZHSTKCLRV-ZDUSSCGKSA-N 2 2 263.389 0.681 10 0 CCAELP CCCN(CC[C@@H]([NH2+]C)C(=O)OCC)CC[NH+](C)C ZINC000062527892 521670463 /nfs/dbraw/zinc/67/04/63/521670463.db2.gz LRLPGXHJVZQKPJ-CYBMUJFWSA-N 2 2 273.421 0.801 10 0 CCAELP C[NH2+][C@@H](CCN1CC[NH+](C(C)C)CC1)C(=O)OC ZINC000062449974 522346278 /nfs/dbraw/zinc/34/62/78/522346278.db2.gz FFCHRPUSYMFJIC-LBPRGKRZSA-N 2 2 257.378 0.164 10 0 CCAELP CC(C)[NH2+][C@@H](CC[N@H+](C)C1CC[NH+](C)CC1)C(N)=O ZINC000062443204 519734484 /nfs/dbraw/zinc/73/44/84/519734484.db2.gz FJHHYUKRFAHDCJ-ZDUSSCGKSA-N 3 2 270.421 0.254 10 0 CCAELP CC(C)[NH2+][C@@H](CC[N@@H+](C)C1CC[NH+](C)CC1)C(N)=O ZINC000062443204 519734485 /nfs/dbraw/zinc/73/44/85/519734485.db2.gz FJHHYUKRFAHDCJ-ZDUSSCGKSA-N 3 2 270.421 0.254 10 0 CCAELP CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(NN)[nH+]1 ZINC000051112487 521639446 /nfs/dbraw/zinc/63/94/46/521639446.db2.gz OFFAKSMRQZHMRA-SNVBAGLBSA-N 2 2 263.345 0.581 10 0 CCAELP CC[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(NN)[nH+]1 ZINC000051112487 521639447 /nfs/dbraw/zinc/63/94/47/521639447.db2.gz OFFAKSMRQZHMRA-SNVBAGLBSA-N 2 2 263.345 0.581 10 0 CCAELP C[C@H](C[NH+]1CCCCC1)[NH2+]CCN1CCNC1=O ZINC000049501893 524334473 /nfs/dbraw/zinc/33/44/73/524334473.db2.gz OSTYNIYTXOYLBL-GFCCVEGCSA-N 2 2 254.378 0.476 10 0 CCAELP C[C@@H](CC[NH2+]C1CC1)[NH+]1CCN(CC[NH+](C)C)CC1 ZINC000061655026 524499057 /nfs/dbraw/zinc/49/90/57/524499057.db2.gz XSQCUKRJEWNHMO-AWEZNQCLSA-N 3 2 268.449 0.696 10 0 CCAELP [NH3+]CCCN1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000049327450 527179913 /nfs/dbraw/zinc/17/99/13/527179913.db2.gz VZDIDIPOOATZMP-UHFFFAOYSA-N 3 2 251.378 0.240 10 0 CCAELP Cn1nc(Br)cc1C1=C[C@H]([NH3+])C[NH2+]C1 ZINC000675078492 545321228 /nfs/dbraw/zinc/32/12/28/545321228.db2.gz QDDSFIABDHFPLJ-ZETCQYMHSA-N 2 2 257.135 0.497 10 0 CCAELP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000249687772 535640606 /nfs/dbraw/zinc/64/06/06/535640606.db2.gz HTEONMZYEMULJU-IHRRRGAJSA-N 2 2 283.416 0.648 10 0 CCAELP C[NH+]1CCN(C(=O)C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)CC1 ZINC000093193465 349531334 /nfs/dbraw/zinc/53/13/34/349531334.db2.gz GCSXUQYHMTUQFL-AWEZNQCLSA-N 2 2 291.399 0.711 10 0 CCAELP C[NH+]1CCN(C(=O)C[N@H+]2CCCC[C@H]2c2cn[nH]c2)CC1 ZINC000093193465 349531336 /nfs/dbraw/zinc/53/13/36/349531336.db2.gz GCSXUQYHMTUQFL-AWEZNQCLSA-N 2 2 291.399 0.711 10 0 CCAELP O=C1C[C@]2(CN1)C[NH2+]CC[N@H+](Cc1ccccc1)C2 ZINC000096897779 185125284 /nfs/dbraw/zinc/12/52/84/185125284.db2.gz MFEVRPFYNIDZAT-OAHLLOKOSA-N 2 2 259.353 0.598 10 0 CCAELP O=C1C[C@]2(CN1)C[NH2+]CC[N@@H+](Cc1ccccc1)C2 ZINC000096897779 185125286 /nfs/dbraw/zinc/12/52/86/185125286.db2.gz MFEVRPFYNIDZAT-OAHLLOKOSA-N 2 2 259.353 0.598 10 0 CCAELP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261609313 137012111 /nfs/dbraw/zinc/01/21/11/137012111.db2.gz BTJKPYSCODQWEB-FRRDWIJNSA-N 2 2 283.416 0.729 10 0 CCAELP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261609313 137012112 /nfs/dbraw/zinc/01/21/12/137012112.db2.gz BTJKPYSCODQWEB-FRRDWIJNSA-N 2 2 283.416 0.729 10 0 CCAELP CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1COCC[NH2+]1 ZINC000262674867 137050269 /nfs/dbraw/zinc/05/02/69/137050269.db2.gz RISYJSSIQBKVNM-QWHCGFSZSA-N 2 2 269.389 0.356 10 0 CCAELP CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@H]1COCC[NH2+]1 ZINC000262674867 137050270 /nfs/dbraw/zinc/05/02/70/137050270.db2.gz RISYJSSIQBKVNM-QWHCGFSZSA-N 2 2 269.389 0.356 10 0 CCAELP C[C@@H](C[NH+]1CCOCC1)NC(=O)C1CCC([NH3+])CC1 ZINC000037627069 348195665 /nfs/dbraw/zinc/19/56/65/348195665.db2.gz JAGFFTJMLBQMLK-HIFPTAJRSA-N 2 2 269.389 0.341 10 0 CCAELP CC(C)(CNC(=O)C[C@@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000054308642 348549579 /nfs/dbraw/zinc/54/95/79/348549579.db2.gz SXLALYBAHNVZEL-ZDUSSCGKSA-N 2 2 283.416 0.603 10 0 CCAELP CC(C)(CNC(=O)C[C@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000054308643 348549786 /nfs/dbraw/zinc/54/97/86/348549786.db2.gz SXLALYBAHNVZEL-CYBMUJFWSA-N 2 2 283.416 0.603 10 0 CCAELP CCN(CC)C(=O)[C@@H]1C[C@@H]([NH3+])C[N@@H+]1C1CCOCC1 ZINC000067434588 348773940 /nfs/dbraw/zinc/77/39/40/348773940.db2.gz KTEUIZAMKWTHRI-YPMHNXCESA-N 2 2 269.389 0.435 10 0 CCAELP CCN(CC)C(=O)[C@@H]1C[C@@H]([NH3+])C[N@H+]1C1CCOCC1 ZINC000067434588 348773942 /nfs/dbraw/zinc/77/39/42/348773942.db2.gz KTEUIZAMKWTHRI-YPMHNXCESA-N 2 2 269.389 0.435 10 0 CCAELP Cn1c2ccccc2nc1N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000122795009 350068938 /nfs/dbraw/zinc/06/89/38/350068938.db2.gz XOONJXJFEHZKNG-NSHDSACASA-N 2 2 259.357 0.652 10 0 CCAELP Cn1c2ccccc2nc1N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000122795009 350068942 /nfs/dbraw/zinc/06/89/42/350068942.db2.gz XOONJXJFEHZKNG-NSHDSACASA-N 2 2 259.357 0.652 10 0 CCAELP CC(C)N(CC[NH+](C)C)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000158464913 350659452 /nfs/dbraw/zinc/65/94/52/350659452.db2.gz RDBTYOGCQOKQKN-ZDUSSCGKSA-N 2 2 286.420 0.299 10 0 CCAELP C[NH+](C)C[C@@H]1C[N@H+](C)C[C@H]1NC(=O)Cc1cccc(F)c1 ZINC000169790617 350840746 /nfs/dbraw/zinc/84/07/46/350840746.db2.gz MIWKBPNYGRUGRL-UKRRQHHQSA-N 2 2 293.386 0.976 10 0 CCAELP C[NH+](C)C[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)Cc1cccc(F)c1 ZINC000169790617 350840749 /nfs/dbraw/zinc/84/07/49/350840749.db2.gz MIWKBPNYGRUGRL-UKRRQHHQSA-N 2 2 293.386 0.976 10 0 CCAELP COC[C@@H](O)C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178290576 351226968 /nfs/dbraw/zinc/22/69/68/351226968.db2.gz YRKPFTKBBFBRGZ-STQMWFEESA-N 2 2 253.346 0.663 10 0 CCAELP COC[C@@H](O)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178290576 351226971 /nfs/dbraw/zinc/22/69/71/351226971.db2.gz YRKPFTKBBFBRGZ-STQMWFEESA-N 2 2 253.346 0.663 10 0 CCAELP C(C[NH+]1CCCC1)C[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000185206014 351438040 /nfs/dbraw/zinc/43/80/40/351438040.db2.gz ZPSZOKFLCVEOJM-AWEZNQCLSA-N 2 2 254.374 0.964 10 0 CCAELP C(C[NH+]1CCCC1)C[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000185206014 351438048 /nfs/dbraw/zinc/43/80/48/351438048.db2.gz ZPSZOKFLCVEOJM-AWEZNQCLSA-N 2 2 254.374 0.964 10 0 CCAELP C[C@@H]1C(=O)NCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000189103195 351652226 /nfs/dbraw/zinc/65/22/26/351652226.db2.gz UDVAHCBPONSUOX-GFCCVEGCSA-N 2 2 285.351 0.978 10 0 CCAELP C[C@@H]1C(=O)NCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000189103195 351652228 /nfs/dbraw/zinc/65/22/28/351652228.db2.gz UDVAHCBPONSUOX-GFCCVEGCSA-N 2 2 285.351 0.978 10 0 CCAELP CC(C)[NH2+]CC[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000191495869 351761423 /nfs/dbraw/zinc/76/14/23/351761423.db2.gz ALFVMYXTNOWKFB-CYBMUJFWSA-N 2 2 251.378 0.988 10 0 CCAELP CC(C)[NH2+]CC[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000191495869 351761425 /nfs/dbraw/zinc/76/14/25/351761425.db2.gz ALFVMYXTNOWKFB-CYBMUJFWSA-N 2 2 251.378 0.988 10 0 CCAELP COCC[N@@H+]1CCN(CCn2cc[nH+]c2)C[C@@H]1C ZINC000122657651 187044535 /nfs/dbraw/zinc/04/45/35/187044535.db2.gz ZEBOQSSFGQVZRQ-ZDUSSCGKSA-N 2 2 252.362 0.536 10 0 CCAELP COCC[N@H+]1CCN(CCn2cc[nH+]c2)C[C@@H]1C ZINC000122657651 187044536 /nfs/dbraw/zinc/04/45/36/187044536.db2.gz ZEBOQSSFGQVZRQ-ZDUSSCGKSA-N 2 2 252.362 0.536 10 0 CCAELP Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)NC(N)=O)C2)[nH+]1 ZINC000195516124 351916792 /nfs/dbraw/zinc/91/67/92/351916792.db2.gz NEPJCOCVMPPLPD-LLVKDONJSA-N 2 2 291.355 0.319 10 0 CCAELP C[C@@H]1C[N@H+](CCCN2C(=O)c3ccccc3C2=O)C[C@@H]1[NH3+] ZINC000235384066 352183767 /nfs/dbraw/zinc/18/37/67/352183767.db2.gz VUOAHSRAFPZRFP-RISCZKNCSA-N 2 2 287.363 0.952 10 0 CCAELP C[C@@H]1C[N@@H+](CCCN2C(=O)c3ccccc3C2=O)C[C@@H]1[NH3+] ZINC000235384066 352183769 /nfs/dbraw/zinc/18/37/69/352183769.db2.gz VUOAHSRAFPZRFP-RISCZKNCSA-N 2 2 287.363 0.952 10 0 CCAELP CCC(CC)[C@@H](CNC(=O)[C@H]1COCC[NH2+]1)[NH+]1CCCC1 ZINC000236666944 352203316 /nfs/dbraw/zinc/20/33/16/352203316.db2.gz DCJXQQLLJBBPSA-HUUCEWRRSA-N 2 2 297.443 0.992 10 0 CCAELP COCC[N@@H+]1CCN([C@H](C)C[NH+]2CCOCC2)C[C@@H]1C ZINC000246147738 352349957 /nfs/dbraw/zinc/34/99/57/352349957.db2.gz SPROGRPFVNCDLW-CABCVRRESA-N 2 2 285.432 0.360 10 0 CCAELP COCC[N@H+]1CCN([C@H](C)C[NH+]2CCOCC2)C[C@@H]1C ZINC000246147738 352349959 /nfs/dbraw/zinc/34/99/59/352349959.db2.gz SPROGRPFVNCDLW-CABCVRRESA-N 2 2 285.432 0.360 10 0 CCAELP C[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)NC[C@H]1C[NH+](C)CCO1)CC2 ZINC000246410442 352366058 /nfs/dbraw/zinc/36/60/58/352366058.db2.gz RZPZWTJKORSGEH-RDBSUJKOSA-N 2 2 296.415 0.195 10 0 CCAELP C[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)NC[C@H]1C[NH+](C)CCO1)CC2 ZINC000246410442 352366061 /nfs/dbraw/zinc/36/60/61/352366061.db2.gz RZPZWTJKORSGEH-RDBSUJKOSA-N 2 2 296.415 0.195 10 0 CCAELP C[NH+]1[C@@H]2CC[C@H]1CN(C(=O)NC[C@H]1C[N@H+](C)CCO1)CC2 ZINC000246410442 352366064 /nfs/dbraw/zinc/36/60/64/352366064.db2.gz RZPZWTJKORSGEH-RDBSUJKOSA-N 2 2 296.415 0.195 10 0 CCAELP C[NH+]1[C@@H]2CC[C@H]1CN(C(=O)NC[C@H]1C[N@@H+](C)CCO1)CC2 ZINC000246410442 352366067 /nfs/dbraw/zinc/36/60/67/352366067.db2.gz RZPZWTJKORSGEH-RDBSUJKOSA-N 2 2 296.415 0.195 10 0 CCAELP COC(=O)[C@@H]1CCC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000388566437 357733706 /nfs/dbraw/zinc/73/37/06/357733706.db2.gz DTYPCRHOVDJWRB-CHWSQXEVSA-N 2 2 272.389 0.573 10 0 CCAELP COC(=O)[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000388566437 357733710 /nfs/dbraw/zinc/73/37/10/357733710.db2.gz DTYPCRHOVDJWRB-CHWSQXEVSA-N 2 2 272.389 0.573 10 0 CCAELP COC(=O)[C@@H]1CCC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000388566437 357733714 /nfs/dbraw/zinc/73/37/14/357733714.db2.gz DTYPCRHOVDJWRB-CHWSQXEVSA-N 2 2 272.389 0.573 10 0 CCAELP COC(=O)[C@@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000388566437 357733718 /nfs/dbraw/zinc/73/37/18/357733718.db2.gz DTYPCRHOVDJWRB-CHWSQXEVSA-N 2 2 272.389 0.573 10 0 CCAELP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000571044245 358906214 /nfs/dbraw/zinc/90/62/14/358906214.db2.gz SBJQSCHWRVZYCE-MNOVXSKESA-N 2 2 275.343 0.830 10 0 CCAELP CC(C)[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000571044245 358906217 /nfs/dbraw/zinc/90/62/17/358906217.db2.gz SBJQSCHWRVZYCE-MNOVXSKESA-N 2 2 275.343 0.830 10 0 CCAELP CCOC(=O)C[C@@H](O)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000599292265 361635931 /nfs/dbraw/zinc/63/59/31/361635931.db2.gz AAQYOYJIHPCOQL-VXGBXAGGSA-N 2 2 258.362 0.184 10 0 CCAELP CCOC(=O)C[C@@H](O)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000599292265 361635936 /nfs/dbraw/zinc/63/59/36/361635936.db2.gz AAQYOYJIHPCOQL-VXGBXAGGSA-N 2 2 258.362 0.184 10 0 CCAELP O=C(NC[C@@H]1C[NH2+]CCO1)c1ccc2[nH+]ccn2c1 ZINC000564956690 291325910 /nfs/dbraw/zinc/32/59/10/291325910.db2.gz UQEPMKFZZDKWPB-NSHDSACASA-N 2 2 260.297 0.053 10 0 CCAELP CO[C@H]1C[N@H+](CCn2nc(C)cc2C)[C@](C)(C[NH3+])C1 ZINC000630360005 370062475 /nfs/dbraw/zinc/06/24/75/370062475.db2.gz DPAIYVJJWRGJKU-KGLIPLIRSA-N 2 2 266.389 0.938 10 0 CCAELP CO[C@H]1C[N@@H+](CCn2nc(C)cc2C)[C@](C)(C[NH3+])C1 ZINC000630360005 370062481 /nfs/dbraw/zinc/06/24/81/370062481.db2.gz DPAIYVJJWRGJKU-KGLIPLIRSA-N 2 2 266.389 0.938 10 0 CCAELP CO[C@H]1C[N@H+](CCCc2nc(C)no2)[C@@](C)(C[NH3+])C1 ZINC000630370104 370072457 /nfs/dbraw/zinc/07/24/57/370072457.db2.gz YPHASCVFDRHKIF-DGCLKSJQSA-N 2 2 268.361 0.749 10 0 CCAELP CO[C@H]1C[N@@H+](CCCc2nc(C)no2)[C@@](C)(C[NH3+])C1 ZINC000630370104 370072460 /nfs/dbraw/zinc/07/24/60/370072460.db2.gz YPHASCVFDRHKIF-DGCLKSJQSA-N 2 2 268.361 0.749 10 0 CCAELP Cc1cc(NC(=O)N2CC[NH2+]C[C@](C)(F)C2)cc[nH+]1 ZINC000334822089 207138809 /nfs/dbraw/zinc/13/88/09/207138809.db2.gz AQJZOWZNADGQNF-ZDUSSCGKSA-N 2 2 266.320 0.977 10 0 CCAELP CCN(CCC[NH2+][C@@H]1C[NH+]2CCC1CC2)S(C)(=O)=O ZINC000038035511 284915058 /nfs/dbraw/zinc/91/50/58/284915058.db2.gz BEIPYZIDTXRRJX-CYBMUJFWSA-N 2 2 289.445 0.342 10 0 CCAELP C[C@H]1C[N@H+](CCN2CCC[NH+](C3CC3)CC2)CCO1 ZINC000192727739 389049722 /nfs/dbraw/zinc/04/97/22/389049722.db2.gz RXKCHEVPQPVWFX-AWEZNQCLSA-N 2 2 267.417 0.877 10 0 CCAELP C[C@H]1C[N@@H+](CCN2CCC[NH+](C3CC3)CC2)CCO1 ZINC000192727739 389049724 /nfs/dbraw/zinc/04/97/24/389049724.db2.gz RXKCHEVPQPVWFX-AWEZNQCLSA-N 2 2 267.417 0.877 10 0 CCAELP C[C@H]1C[NH+](CCN2CCC[N@H+](C3CC3)CC2)CCO1 ZINC000192727739 389049729 /nfs/dbraw/zinc/04/97/29/389049729.db2.gz RXKCHEVPQPVWFX-AWEZNQCLSA-N 2 2 267.417 0.877 10 0 CCAELP CCn1ncnc1C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000193336849 389066933 /nfs/dbraw/zinc/06/69/33/389066933.db2.gz AOORFGQHNQFPGC-CYBMUJFWSA-N 2 2 295.431 0.823 10 0 CCAELP CCn1ncnc1C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000193336849 389066935 /nfs/dbraw/zinc/06/69/35/389066935.db2.gz AOORFGQHNQFPGC-CYBMUJFWSA-N 2 2 295.431 0.823 10 0 CCAELP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCc2nnnn2CC1 ZINC000333629279 389437413 /nfs/dbraw/zinc/43/74/13/389437413.db2.gz ARSULURSRGJGPX-WZRBSPASSA-N 2 2 276.388 0.450 10 0 CCAELP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCc2nnnn2CC1 ZINC000333629279 389437416 /nfs/dbraw/zinc/43/74/16/389437416.db2.gz ARSULURSRGJGPX-WZRBSPASSA-N 2 2 276.388 0.450 10 0 CCAELP C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000333671085 389439790 /nfs/dbraw/zinc/43/97/90/389439790.db2.gz NCSGHHQDTWMZLJ-KGLIPLIRSA-N 2 2 296.415 0.101 10 0 CCAELP C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000333671085 389439794 /nfs/dbraw/zinc/43/97/94/389439794.db2.gz NCSGHHQDTWMZLJ-KGLIPLIRSA-N 2 2 296.415 0.101 10 0 CCAELP O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000334155286 389458023 /nfs/dbraw/zinc/45/80/23/389458023.db2.gz UWWXDXRXKRFSSH-GXSJLCMTSA-N 2 2 259.300 0.196 10 0 CCAELP COCC[N@@H+]1CCN(CCC[NH+]2CCOCC2)C[C@H]1C ZINC000173678129 389507358 /nfs/dbraw/zinc/50/73/58/389507358.db2.gz WZSZJBFSAKPQOJ-OAHLLOKOSA-N 2 2 285.432 0.361 10 0 CCAELP COCC[N@H+]1CCN(CCC[NH+]2CCOCC2)C[C@H]1C ZINC000173678129 389507360 /nfs/dbraw/zinc/50/73/60/389507360.db2.gz WZSZJBFSAKPQOJ-OAHLLOKOSA-N 2 2 285.432 0.361 10 0 CCAELP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[N@H+](CCO)C2)C[C@H](C)O1 ZINC000645083650 390368759 /nfs/dbraw/zinc/36/87/59/390368759.db2.gz CGPJNFXFXSZCJI-RFQIPJPRSA-N 2 2 256.390 0.989 10 0 CCAELP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[N@@H+](CCO)C2)C[C@H](C)O1 ZINC000645083650 390368762 /nfs/dbraw/zinc/36/87/62/390368762.db2.gz CGPJNFXFXSZCJI-RFQIPJPRSA-N 2 2 256.390 0.989 10 0 CCAELP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCC[C@@H]1[N@@H+]1CC[C@H](O)C1 ZINC000643960686 390608854 /nfs/dbraw/zinc/60/88/54/390608854.db2.gz ADKPBMCIDDQKJP-ZNMIVQPWSA-N 3 2 278.400 0.769 10 0 CCAELP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCC[C@@H]1[N@H+]1CC[C@H](O)C1 ZINC000643960686 390608857 /nfs/dbraw/zinc/60/88/57/390608857.db2.gz ADKPBMCIDDQKJP-ZNMIVQPWSA-N 3 2 278.400 0.769 10 0 CCAELP C[C@@H](CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1)[NH+]1CCCC1 ZINC000646408273 390678317 /nfs/dbraw/zinc/67/83/17/390678317.db2.gz HSAFXUULWYGNCK-UWVGGRQHSA-N 2 2 261.316 0.584 10 0 CCAELP O=C(NCCCCNc1cccc[nH+]1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000262569963 131234371 /nfs/dbraw/zinc/23/43/71/131234371.db2.gz YUELVVWFIIYNQP-RYUDHWBXSA-N 2 2 278.356 0.113 10 0 CCAELP C[N@@H+]1CCO[C@H]2CCN(C(=O)CCn3cc[nH+]c3)C[C@@H]21 ZINC000284384251 196044059 /nfs/dbraw/zinc/04/40/59/196044059.db2.gz GGSFQHZZCNXLTI-STQMWFEESA-N 2 2 278.356 0.205 10 0 CCAELP C[N@H+]1CCO[C@H]2CCN(C(=O)CCn3cc[nH+]c3)C[C@@H]21 ZINC000284384251 196044061 /nfs/dbraw/zinc/04/40/61/196044061.db2.gz GGSFQHZZCNXLTI-STQMWFEESA-N 2 2 278.356 0.205 10 0 CCAELP CC(C)([NH3+])c1noc(CN2CC[C@H]([NH+]3CCOCC3)C2)n1 ZINC000062980312 411686694 /nfs/dbraw/zinc/68/66/94/411686694.db2.gz MCFNWJRHPANRJY-NSHDSACASA-N 2 2 295.387 0.170 10 0 CCAELP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(C[NH3+])ccc1F ZINC000020294501 171135331 /nfs/dbraw/zinc/13/53/31/171135331.db2.gz IPJBCNGHCHQJMM-LBPRGKRZSA-N 2 2 251.305 0.734 10 0 CCAELP NC(=O)[C@@H]1CCC[N@H+]1Cc1cc(C[NH3+])ccc1F ZINC000020294501 171135334 /nfs/dbraw/zinc/13/53/34/171135334.db2.gz IPJBCNGHCHQJMM-LBPRGKRZSA-N 2 2 251.305 0.734 10 0 CCAELP C[C@@H](C[NH2+][C@@H]1CC(=O)NC1=O)C[NH+]1CCCCC1 ZINC000038042084 174044296 /nfs/dbraw/zinc/04/42/96/174044296.db2.gz FZEDEZNJVKDITG-WDEREUQCSA-N 2 2 253.346 0.113 10 0 CCAELP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000662622795 414733827 /nfs/dbraw/zinc/73/38/27/414733827.db2.gz UBRXDGHGPBDDDM-ZJUUUORDSA-N 2 2 275.343 0.973 10 0 CCAELP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000662622795 414733828 /nfs/dbraw/zinc/73/38/28/414733828.db2.gz UBRXDGHGPBDDDM-ZJUUUORDSA-N 2 2 275.343 0.973 10 0 CCAELP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000662622791 414733857 /nfs/dbraw/zinc/73/38/57/414733857.db2.gz UBRXDGHGPBDDDM-VHSXEESVSA-N 2 2 275.343 0.973 10 0 CCAELP CC(C)(C)[N@H+]1CC[C@H](NC(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000662622791 414733858 /nfs/dbraw/zinc/73/38/58/414733858.db2.gz UBRXDGHGPBDDDM-VHSXEESVSA-N 2 2 275.343 0.973 10 0 CCAELP COC(=O)C1CC[NH+]([C@H]2COC[C@H]2C[NH+](C)C)CC1 ZINC000725273968 545889558 /nfs/dbraw/zinc/88/95/58/545889558.db2.gz ZKTDQMQAKCBNIO-OLZOCXBDSA-N 2 2 270.373 0.448 10 0 CCAELP COC(=O)[C@@H]1CCC[N@@H+]([C@@H]2COC[C@@H]2C[NH+](C)C)C1 ZINC000725273851 545889571 /nfs/dbraw/zinc/88/95/71/545889571.db2.gz NCLBYKCDGURWTI-FRRDWIJNSA-N 2 2 270.373 0.448 10 0 CCAELP COC(=O)[C@@H]1CCC[N@H+]([C@@H]2COC[C@@H]2C[NH+](C)C)C1 ZINC000725273851 545889573 /nfs/dbraw/zinc/88/95/73/545889573.db2.gz NCLBYKCDGURWTI-FRRDWIJNSA-N 2 2 270.373 0.448 10 0 CCAELP CC(C)[C@@H]([NH3+])CC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000136460510 544639019 /nfs/dbraw/zinc/63/90/19/544639019.db2.gz AWCQUGDNKCDNDF-STQMWFEESA-N 2 2 269.389 0.293 10 0 CCAELP C[C@@H](O)C[N@@H+]1CCN(C(=O)c2ccc(C[NH3+])o2)C[C@@H]1C ZINC000167985742 544729164 /nfs/dbraw/zinc/72/91/64/544729164.db2.gz ISRMJIAXYWEKDA-WDEREUQCSA-N 2 2 281.356 0.265 10 0 CCAELP C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccc(C[NH3+])o2)C[C@@H]1C ZINC000167985742 544729169 /nfs/dbraw/zinc/72/91/69/544729169.db2.gz ISRMJIAXYWEKDA-WDEREUQCSA-N 2 2 281.356 0.265 10 0 CCAELP CC[C@@H]1CN(C(=O)c2ccc(C[NH3+])o2)CC[N@@H+]1C[C@H](C)O ZINC000246510215 544910175 /nfs/dbraw/zinc/91/01/75/544910175.db2.gz QKIWAHCOCQBBPE-NWDGAFQWSA-N 2 2 295.383 0.656 10 0 CCAELP CC[C@@H]1CN(C(=O)c2ccc(C[NH3+])o2)CC[N@H+]1C[C@H](C)O ZINC000246510215 544910180 /nfs/dbraw/zinc/91/01/80/544910180.db2.gz QKIWAHCOCQBBPE-NWDGAFQWSA-N 2 2 295.383 0.656 10 0 CCAELP CCC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1)[NH+](C)C ZINC000163750112 276037988 /nfs/dbraw/zinc/03/79/88/276037988.db2.gz ILQZLZGQVLISIJ-RBSFLKMASA-N 2 2 297.443 0.896 10 0 CCAELP CCCN(CCO)C(=O)[C@@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000038043313 276254145 /nfs/dbraw/zinc/25/41/45/276254145.db2.gz XRUFJNWMYITMRC-AWEZNQCLSA-N 2 2 283.416 0.434 10 0 CCAELP CCCN(CCO)C(=O)[C@@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000038043313 276254147 /nfs/dbraw/zinc/25/41/47/276254147.db2.gz XRUFJNWMYITMRC-AWEZNQCLSA-N 2 2 283.416 0.434 10 0 CCAELP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249800592 278203898 /nfs/dbraw/zinc/20/38/98/278203898.db2.gz AATYQHITAXZGJK-QWRGUYRKSA-N 2 2 291.355 0.399 10 0 CCAELP C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249800592 278203900 /nfs/dbraw/zinc/20/39/00/278203900.db2.gz AATYQHITAXZGJK-QWRGUYRKSA-N 2 2 291.355 0.399 10 0 CCAELP Cn1cc(NC(=O)[C@H]2CCC[N@@H+]2C2CC[NH2+]CC2)cn1 ZINC000038043150 294266177 /nfs/dbraw/zinc/26/61/77/294266177.db2.gz IRCSWSKZSWUTHL-CYBMUJFWSA-N 2 2 277.372 0.575 10 0 CCAELP Cn1cc(NC(=O)[C@H]2CCC[N@H+]2C2CC[NH2+]CC2)cn1 ZINC000038043150 294266179 /nfs/dbraw/zinc/26/61/79/294266179.db2.gz IRCSWSKZSWUTHL-CYBMUJFWSA-N 2 2 277.372 0.575 10 0 CCAELP C[NH+](C)CCN1CC[NH+](CC2([NH3+])CCCC2)CC1 ZINC000061652516 521764827 /nfs/dbraw/zinc/76/48/27/521764827.db2.gz CTZUCSGLODNIIE-UHFFFAOYSA-N 3 2 254.422 0.437 10 0 CCAELP CC(C)[NH2+]C[C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000053012456 519725049 /nfs/dbraw/zinc/72/50/49/519725049.db2.gz XDMSPTTUIFGEMR-CQSZACIVSA-N 2 2 255.406 0.639 10 0 CCAELP CCC[C@@](C)([NH3+])C[NH+]1CCN(CC[NH+](C)C)CC1 ZINC000061652511 520921595 /nfs/dbraw/zinc/92/15/95/520921595.db2.gz NLIKGNGAYSWRKC-CQSZACIVSA-N 3 2 256.438 0.683 10 0 CCAELP C[C@@H]1CC[N@H+](C[C@@H]2CCS(=O)(=O)C2)CCC[NH2+]1 ZINC000050604585 524506833 /nfs/dbraw/zinc/50/68/33/524506833.db2.gz WPHVYEWNAMCGRP-NEPJUHHUSA-N 2 2 260.403 0.495 10 0 CCAELP C[C@@H]1CC[N@@H+](C[C@@H]2CCS(=O)(=O)C2)CCC[NH2+]1 ZINC000050604585 524506837 /nfs/dbraw/zinc/50/68/37/524506837.db2.gz WPHVYEWNAMCGRP-NEPJUHHUSA-N 2 2 260.403 0.495 10 0 CCAELP [NH3+]Cc1ccc([C@H](O)C[NH+]2CCS(=O)CC2)cc1 ZINC000049691357 527257239 /nfs/dbraw/zinc/25/72/39/527257239.db2.gz QXMDNIUQCIZABT-CYBMUJFWSA-N 2 2 268.382 0.243 10 0 CCAELP CCCS(=O)(=O)CC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261544384 535295348 /nfs/dbraw/zinc/29/53/48/535295348.db2.gz DWPQSJCSHDTZLX-SRVKXCTJSA-N 2 2 260.403 0.480 10 0 CCAELP CCCS(=O)(=O)CC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261544384 535295352 /nfs/dbraw/zinc/29/53/52/535295352.db2.gz DWPQSJCSHDTZLX-SRVKXCTJSA-N 2 2 260.403 0.480 10 0 CCAELP CCc1nn(C)cc1C[NH2+]C1CC[NH+](CCO)CC1 ZINC000399126729 581207851 /nfs/dbraw/zinc/20/78/51/581207851.db2.gz KUZFEDNNWGNUJN-UHFFFAOYSA-N 2 2 266.389 0.529 10 0 CCAELP C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000865190603 616196700 /nfs/dbraw/zinc/19/67/00/616196700.db2.gz BPNMQYQNMIQAAV-AGIUHOORSA-N 2 2 278.356 0.528 10 0 CCAELP C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000865190603 616196701 /nfs/dbraw/zinc/19/67/01/616196701.db2.gz BPNMQYQNMIQAAV-AGIUHOORSA-N 2 2 278.356 0.528 10 0 CCAELP [NH3+][C@H]1CC[C@H](C(=O)N2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000091545459 349467484 /nfs/dbraw/zinc/46/74/84/349467484.db2.gz XYFIXMSUHHGJHR-GJZGRUSLSA-N 2 2 288.395 0.853 10 0 CCAELP CC[N@H+](CCNC(=O)NC[C@@H](C)[NH+]1CCOCC1)C1CC1 ZINC000101980949 349673554 /nfs/dbraw/zinc/67/35/54/349673554.db2.gz BGRJZAUIXVTLSB-CYBMUJFWSA-N 2 2 298.431 0.491 10 0 CCAELP CC[N@@H+](CCNC(=O)NC[C@@H](C)[NH+]1CCOCC1)C1CC1 ZINC000101980949 349673557 /nfs/dbraw/zinc/67/35/57/349673557.db2.gz BGRJZAUIXVTLSB-CYBMUJFWSA-N 2 2 298.431 0.491 10 0 CCAELP O=C(NCC[NH+]1CCOCC1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000105064461 349719765 /nfs/dbraw/zinc/71/97/65/349719765.db2.gz PSNSYNMHZXNIIS-AWEZNQCLSA-N 2 2 296.415 0.198 10 0 CCAELP O=C(NCC[NH+]1CCOCC1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000105064461 349719771 /nfs/dbraw/zinc/71/97/71/349719771.db2.gz PSNSYNMHZXNIIS-AWEZNQCLSA-N 2 2 296.415 0.198 10 0 CCAELP CCOCC[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000105915269 349728911 /nfs/dbraw/zinc/72/89/11/349728911.db2.gz GKMHQOUALCKIES-INIZCTEOSA-N 2 2 299.459 0.750 10 0 CCAELP CCOCC[N@@H+]1CCN(C(=O)C[NH+](C)C(C)C)C[C@@H]1C ZINC000117280543 349882352 /nfs/dbraw/zinc/88/23/52/349882352.db2.gz YJXXZPJDBHFMDE-AWEZNQCLSA-N 2 2 285.432 0.896 10 0 CCAELP CCOCC[N@H+]1CCN(C(=O)C[NH+](C)C(C)C)C[C@@H]1C ZINC000117280543 349882356 /nfs/dbraw/zinc/88/23/56/349882356.db2.gz YJXXZPJDBHFMDE-AWEZNQCLSA-N 2 2 285.432 0.896 10 0 CCAELP CCOCC[NH+]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC000117280543 349882360 /nfs/dbraw/zinc/88/23/60/349882360.db2.gz YJXXZPJDBHFMDE-AWEZNQCLSA-N 2 2 285.432 0.896 10 0 CCAELP CCOCC[NH+]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC000117280543 349882361 /nfs/dbraw/zinc/88/23/61/349882361.db2.gz YJXXZPJDBHFMDE-AWEZNQCLSA-N 2 2 285.432 0.896 10 0 CCAELP C[C@H]1CC[C@H](C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)O1 ZINC000119297594 349927960 /nfs/dbraw/zinc/92/79/60/349927960.db2.gz HFBRHJOGPCWEIO-GXTWGEPZSA-N 2 2 283.416 0.696 10 0 CCAELP O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1cccc(-n2cc[nH+]c2)c1 ZINC000262363499 137040261 /nfs/dbraw/zinc/04/02/61/137040261.db2.gz VITQTJSPDVFTRL-JSGCOSHPSA-N 2 2 286.335 0.182 10 0 CCAELP C[C@H]1C[NH+]=C(N2CCN(C(=O)C3CC[NH2+]CC3)CC2)S1 ZINC000262701743 137051296 /nfs/dbraw/zinc/05/12/96/137051296.db2.gz IPJFZLIIFXOOJX-NSHDSACASA-N 2 2 296.440 0.622 10 0 CCAELP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000261827889 137021748 /nfs/dbraw/zinc/02/17/48/137021748.db2.gz ADDQRBUUYSPQTR-GWCFXTLKSA-N 3 2 278.381 0.604 10 0 CCAELP C[C@H](C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1)[NH+]1CCOCC1 ZINC000261919786 137026045 /nfs/dbraw/zinc/02/60/45/137026045.db2.gz UWLDYLKTDRMKPO-VXGBXAGGSA-N 2 2 269.389 0.293 10 0 CCAELP C[C@@H]1CCc2nc(C[NH2+]C[C@H]3C[NH2+]C[C@@H]3O)sc2C1 ZINC000263270597 137062081 /nfs/dbraw/zinc/06/20/81/137062081.db2.gz SBXMWLUHAFHLSW-FOGDFJRCSA-N 2 2 281.425 0.938 10 0 CCAELP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1csc(C2CC2)n1 ZINC000263316688 137063683 /nfs/dbraw/zinc/06/36/83/137063683.db2.gz ZNCUZWRDYAHBIB-KOLCDFICSA-N 2 2 253.371 0.690 10 0 CCAELP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1nccn1Cc1ccccc1 ZINC000263199720 137059864 /nfs/dbraw/zinc/05/98/64/137059864.db2.gz IVKOSNQYUQHGQB-LSDHHAIUSA-N 2 2 286.379 0.601 10 0 CCAELP O[C@@H]1C[NH2+]C[C@H]1CNCc1[nH+]ccn1Cc1ccccc1 ZINC000263199720 137059865 /nfs/dbraw/zinc/05/98/65/137059865.db2.gz IVKOSNQYUQHGQB-LSDHHAIUSA-N 2 2 286.379 0.601 10 0 CCAELP c1cnc(-c2n[nH]c(C3CC[NH+]([C@@H]4CC[NH2+]C4)CC3)n2)cn1 ZINC000065287282 348709513 /nfs/dbraw/zinc/70/95/13/348709513.db2.gz GGJQOWLYUWRELR-GFCCVEGCSA-N 2 2 299.382 0.803 10 0 CCAELP CCCNC(=O)NC(=O)C[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261591972 535086871 /nfs/dbraw/zinc/08/68/71/535086871.db2.gz MGIMCLQLRJZOPE-JTQLQIEISA-N 2 2 270.377 0.281 10 0 CCAELP CCCNC(=O)NC(=O)C[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261591972 535086876 /nfs/dbraw/zinc/08/68/76/535086876.db2.gz MGIMCLQLRJZOPE-JTQLQIEISA-N 2 2 270.377 0.281 10 0 CCAELP C[C@@H](CNC(=O)NCCCn1cc[nH+]c1)[NH+]1CCOCC1 ZINC000077827773 349123329 /nfs/dbraw/zinc/12/33/29/349123329.db2.gz RTXUXAVCUZWOOZ-ZDUSSCGKSA-N 2 2 295.387 0.293 10 0 CCAELP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000159151807 350670453 /nfs/dbraw/zinc/67/04/53/350670453.db2.gz MNHZFLSQNBMJPS-ZIAGYGMSSA-N 2 2 298.431 0.299 10 0 CCAELP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000159151807 350670455 /nfs/dbraw/zinc/67/04/55/350670455.db2.gz MNHZFLSQNBMJPS-ZIAGYGMSSA-N 2 2 298.431 0.299 10 0 CCAELP CC(C)[C@H]1C[NH+](C)CCN1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000159151807 350670459 /nfs/dbraw/zinc/67/04/59/350670459.db2.gz MNHZFLSQNBMJPS-ZIAGYGMSSA-N 2 2 298.431 0.299 10 0 CCAELP CC(C)[C@H]1C[NH+](C)CCN1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000159151807 350670462 /nfs/dbraw/zinc/67/04/62/350670462.db2.gz MNHZFLSQNBMJPS-ZIAGYGMSSA-N 2 2 298.431 0.299 10 0 CCAELP C[C@H](CNC(=O)[C@H]1COCC[NH2+]1)[NH+]1CCC(C)CC1 ZINC000166332655 350797830 /nfs/dbraw/zinc/79/78/30/350797830.db2.gz WNTPOXINZRODHW-CHWSQXEVSA-N 2 2 269.389 0.211 10 0 CCAELP CCOCC[N@@H+]1CCN(C(=O)C[NH+](C)C)C[C@@H]1C ZINC000172295607 350972964 /nfs/dbraw/zinc/97/29/64/350972964.db2.gz ZXCGTTZIULKSDT-LBPRGKRZSA-N 2 2 257.378 0.117 10 0 CCAELP CCOCC[N@H+]1CCN(C(=O)C[NH+](C)C)C[C@@H]1C ZINC000172295607 350972966 /nfs/dbraw/zinc/97/29/66/350972966.db2.gz ZXCGTTZIULKSDT-LBPRGKRZSA-N 2 2 257.378 0.117 10 0 CCAELP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCC[NH+]1CCOCC1 ZINC000176368237 351171139 /nfs/dbraw/zinc/17/11/39/351171139.db2.gz AFCMURBAALVAPH-CQSZACIVSA-N 2 2 298.431 0.444 10 0 CCAELP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NCC[NH+]1CCOCC1 ZINC000176368237 351171142 /nfs/dbraw/zinc/17/11/42/351171142.db2.gz AFCMURBAALVAPH-CQSZACIVSA-N 2 2 298.431 0.444 10 0 CCAELP CCC[N@H+](CC)CCNC(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000175467202 351130788 /nfs/dbraw/zinc/13/07/88/351130788.db2.gz OEYLJKSKPYOBIF-ZDUSSCGKSA-N 2 2 286.420 0.348 10 0 CCAELP CCC[N@@H+](CC)CCNC(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000175467202 351130789 /nfs/dbraw/zinc/13/07/89/351130789.db2.gz OEYLJKSKPYOBIF-ZDUSSCGKSA-N 2 2 286.420 0.348 10 0 CCAELP CCC[NH+](CC)CCNC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000175467202 351130791 /nfs/dbraw/zinc/13/07/91/351130791.db2.gz OEYLJKSKPYOBIF-ZDUSSCGKSA-N 2 2 286.420 0.348 10 0 CCAELP CCC[NH+](CC)CCNC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000175467202 351130794 /nfs/dbraw/zinc/13/07/94/351130794.db2.gz OEYLJKSKPYOBIF-ZDUSSCGKSA-N 2 2 286.420 0.348 10 0 CCAELP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000177486459 351205582 /nfs/dbraw/zinc/20/55/82/351205582.db2.gz NASKXFWROHBFCH-UONOGXRCSA-N 2 2 298.431 0.443 10 0 CCAELP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000177486459 351205585 /nfs/dbraw/zinc/20/55/85/351205585.db2.gz NASKXFWROHBFCH-UONOGXRCSA-N 2 2 298.431 0.443 10 0 CCAELP CC[NH+]1CCC[C@H]1CN(C)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000177486459 351205588 /nfs/dbraw/zinc/20/55/88/351205588.db2.gz NASKXFWROHBFCH-UONOGXRCSA-N 2 2 298.431 0.443 10 0 CCAELP CC[NH+]1CCC[C@H]1CN(C)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000177486459 351205591 /nfs/dbraw/zinc/20/55/91/351205591.db2.gz NASKXFWROHBFCH-UONOGXRCSA-N 2 2 298.431 0.443 10 0 CCAELP COCC[N@@H+]1CCN([C@@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC000180477898 351287031 /nfs/dbraw/zinc/28/70/31/351287031.db2.gz SPROGRPFVNCDLW-LSDHHAIUSA-N 2 2 285.432 0.360 10 0 CCAELP COCC[N@H+]1CCN([C@@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC000180477898 351287034 /nfs/dbraw/zinc/28/70/34/351287034.db2.gz SPROGRPFVNCDLW-LSDHHAIUSA-N 2 2 285.432 0.360 10 0 CCAELP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000245420634 352321092 /nfs/dbraw/zinc/32/10/92/352321092.db2.gz NASKXFWROHBFCH-KGLIPLIRSA-N 2 2 298.431 0.443 10 0 CCAELP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000245420634 352321098 /nfs/dbraw/zinc/32/10/98/352321098.db2.gz NASKXFWROHBFCH-KGLIPLIRSA-N 2 2 298.431 0.443 10 0 CCAELP CC[NH+]1CCC[C@@H]1CN(C)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000245420634 352321103 /nfs/dbraw/zinc/32/11/03/352321103.db2.gz NASKXFWROHBFCH-KGLIPLIRSA-N 2 2 298.431 0.443 10 0 CCAELP CC[NH+]1CCC[C@@H]1CN(C)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000245420634 352321110 /nfs/dbraw/zinc/32/11/10/352321110.db2.gz NASKXFWROHBFCH-KGLIPLIRSA-N 2 2 298.431 0.443 10 0 CCAELP C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247682565 352423907 /nfs/dbraw/zinc/42/39/07/352423907.db2.gz RUZVLUWNCQIGJA-MXWKQRLJSA-N 2 2 279.344 0.349 10 0 CCAELP C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247682565 352423912 /nfs/dbraw/zinc/42/39/12/352423912.db2.gz RUZVLUWNCQIGJA-MXWKQRLJSA-N 2 2 279.344 0.349 10 0 CCAELP COC(=O)c1ccc(N2CC[N@H+](C)C[C@H]2C[NH3+])nc1C ZINC000250945456 352508800 /nfs/dbraw/zinc/50/88/00/352508800.db2.gz HKOJBLMYOZDFME-LLVKDONJSA-N 2 2 278.356 0.256 10 0 CCAELP COC(=O)c1ccc(N2CC[N@@H+](C)C[C@H]2C[NH3+])nc1C ZINC000250945456 352508802 /nfs/dbraw/zinc/50/88/02/352508802.db2.gz HKOJBLMYOZDFME-LLVKDONJSA-N 2 2 278.356 0.256 10 0 CCAELP CN(C[C@@H]1CCn2cc[nH+]c2C1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000328636944 354243262 /nfs/dbraw/zinc/24/32/62/354243262.db2.gz VUPLKAOHZAMJAV-CHWSQXEVSA-N 2 2 292.383 0.235 10 0 CCAELP CN(C[C@@H]1CCn2cc[nH+]c2C1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000328636944 354243264 /nfs/dbraw/zinc/24/32/64/354243264.db2.gz VUPLKAOHZAMJAV-CHWSQXEVSA-N 2 2 292.383 0.235 10 0 CCAELP C[C@H](C(=O)N1CCC(n2cc[nH+]c2)CC1)[NH+]1CCOCC1 ZINC000328710908 202024150 /nfs/dbraw/zinc/02/41/50/202024150.db2.gz AYQAKPDWRKNUOR-CYBMUJFWSA-N 2 2 292.383 0.767 10 0 CCAELP [NH3+]CC[N@@H+]1CCOC[C@H](c2cccc(CCO)c2)C1 ZINC000616663725 365415380 /nfs/dbraw/zinc/41/53/80/365415380.db2.gz PEPHPTSWNDDQRP-OAHLLOKOSA-N 2 2 264.369 0.596 10 0 CCAELP [NH3+]CC[N@H+]1CCOC[C@H](c2cccc(CCO)c2)C1 ZINC000616663725 365415383 /nfs/dbraw/zinc/41/53/83/365415383.db2.gz PEPHPTSWNDDQRP-OAHLLOKOSA-N 2 2 264.369 0.596 10 0 CCAELP CC(C)(C)OC(=O)NCC[C@@H]1C[N@H+](CC[NH3+])CCCO1 ZINC000616678555 365421373 /nfs/dbraw/zinc/42/13/73/365421373.db2.gz JDQJKZAOHQGDOE-GFCCVEGCSA-N 2 2 287.404 0.951 10 0 CCAELP CC(C)(C)OC(=O)NCC[C@@H]1C[N@@H+](CC[NH3+])CCCO1 ZINC000616678555 365421378 /nfs/dbraw/zinc/42/13/78/365421378.db2.gz JDQJKZAOHQGDOE-GFCCVEGCSA-N 2 2 287.404 0.951 10 0 CCAELP CO[C@@H]1C[N@H+](CCOC2CCOCC2)[C@@](C)(C[NH3+])C1 ZINC000630366377 370067675 /nfs/dbraw/zinc/06/76/75/370067675.db2.gz KGCQKEFRZKNWJS-UONOGXRCSA-N 2 2 272.389 0.620 10 0 CCAELP CO[C@@H]1C[N@@H+](CCOC2CCOCC2)[C@@](C)(C[NH3+])C1 ZINC000630366377 370067676 /nfs/dbraw/zinc/06/76/76/370067676.db2.gz KGCQKEFRZKNWJS-UONOGXRCSA-N 2 2 272.389 0.620 10 0 CCAELP CO[C@H]1C[N@H+](CCc2cnn(C)c2)[C@](C)(C[NH3+])C1 ZINC000630368093 370068732 /nfs/dbraw/zinc/06/87/32/370068732.db2.gz QGSLJKJPLOZRAU-OLZOCXBDSA-N 2 2 252.362 0.401 10 0 CCAELP CO[C@H]1C[N@@H+](CCc2cnn(C)c2)[C@](C)(C[NH3+])C1 ZINC000630368093 370068739 /nfs/dbraw/zinc/06/87/39/370068739.db2.gz QGSLJKJPLOZRAU-OLZOCXBDSA-N 2 2 252.362 0.401 10 0 CCAELP C[NH+](C)Cc1nc([C@H]2C[N@@H+]3CCC[C@H]3CO2)no1 ZINC000333153069 205075335 /nfs/dbraw/zinc/07/53/35/205075335.db2.gz GZCCEWKMCQOHTD-VHSXEESVSA-N 2 2 252.318 0.667 10 0 CCAELP C[NH+](C)Cc1nc([C@H]2C[N@H+]3CCC[C@H]3CO2)no1 ZINC000333153069 205075336 /nfs/dbraw/zinc/07/53/36/205075336.db2.gz GZCCEWKMCQOHTD-VHSXEESVSA-N 2 2 252.318 0.667 10 0 CCAELP Cc1cc2ccccc2[nH+]c1NC[C@@H]1C[NH2+]C[C@H]1O ZINC000643040265 377702446 /nfs/dbraw/zinc/70/24/46/377702446.db2.gz OVISTTUKEWSQIB-GXTWGEPZSA-N 2 2 257.337 0.957 10 0 CCAELP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000335323454 208187196 /nfs/dbraw/zinc/18/71/96/208187196.db2.gz XDYUXYOSCREVFN-MNOVXSKESA-N 2 2 275.343 0.784 10 0 CCAELP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000335323454 208187201 /nfs/dbraw/zinc/18/72/01/208187201.db2.gz XDYUXYOSCREVFN-MNOVXSKESA-N 2 2 275.343 0.784 10 0 CCAELP COC[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195269270 285247747 /nfs/dbraw/zinc/24/77/47/285247747.db2.gz MKPJFIJMZKNEPR-HOTGVXAUSA-N 2 2 293.411 0.843 10 0 CCAELP COC[C@@H](O)C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195269270 285247749 /nfs/dbraw/zinc/24/77/49/285247749.db2.gz MKPJFIJMZKNEPR-HOTGVXAUSA-N 2 2 293.411 0.843 10 0 CCAELP COC[C@@H](O)C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195269270 285247751 /nfs/dbraw/zinc/24/77/51/285247751.db2.gz MKPJFIJMZKNEPR-HOTGVXAUSA-N 2 2 293.411 0.843 10 0 CCAELP COC[C@@H](O)C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195269270 285247752 /nfs/dbraw/zinc/24/77/52/285247752.db2.gz MKPJFIJMZKNEPR-HOTGVXAUSA-N 2 2 293.411 0.843 10 0 CCAELP COc1c(C)c[nH+]c(C[N@@H+]2C[C@H](O)C[C@@H]2CO)c1C ZINC000185142201 388788534 /nfs/dbraw/zinc/78/85/34/388788534.db2.gz OHSAPIDUXUJFFM-VXGBXAGGSA-N 2 2 266.341 0.635 10 0 CCAELP COc1c(C)c[nH+]c(C[N@H+]2C[C@H](O)C[C@@H]2CO)c1C ZINC000185142201 388788540 /nfs/dbraw/zinc/78/85/40/388788540.db2.gz OHSAPIDUXUJFFM-VXGBXAGGSA-N 2 2 266.341 0.635 10 0 CCAELP CN(c1cc(N2CCC[C@@H](CO)C2)nc[nH+]1)C1CC([NH3+])C1 ZINC000333920200 389449593 /nfs/dbraw/zinc/44/95/93/389449593.db2.gz PTMCKGUZJLSGAH-PNESKVBLSA-N 2 2 291.399 0.611 10 0 CCAELP CN(c1cc(N2CCC[C@@H](CO)C2)[nH+]cn1)C1CC([NH3+])C1 ZINC000333920200 389449599 /nfs/dbraw/zinc/44/95/99/389449599.db2.gz PTMCKGUZJLSGAH-PNESKVBLSA-N 2 2 291.399 0.611 10 0 CCAELP C[NH+](C)[C@@H](CNC(=O)[C@H]1CC(F)(F)C[NH2+]1)c1ccco1 ZINC000375516403 389683932 /nfs/dbraw/zinc/68/39/32/389683932.db2.gz ALEGPUAVWBLRTI-ZJUUUORDSA-N 2 2 287.310 0.996 10 0 CCAELP CCO[C@@H]1CN(c2[nH+]cccc2OC)C[C@H]1C[NH3+] ZINC000405320213 389813339 /nfs/dbraw/zinc/81/33/39/389813339.db2.gz YUHJUFWNNDYTFI-ZYHUDNBSSA-N 2 2 251.330 0.890 10 0 CCAELP COc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1C[NH3+] ZINC000020189925 171056451 /nfs/dbraw/zinc/05/64/51/171056451.db2.gz ZFGXWEWEUSXHEN-UHFFFAOYSA-N 2 2 299.396 0.090 10 0 CCAELP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653111612 412224086 /nfs/dbraw/zinc/22/40/86/412224086.db2.gz UROBTCKMZXTXSA-IVZWLZJFSA-N 2 2 290.289 0.786 10 0 CCAELP CN(Cc1[nH+]ccn1C)C(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653148308 412242269 /nfs/dbraw/zinc/24/22/69/412242269.db2.gz WQNVJQCXQRYRCS-RKDXNWHRSA-N 2 2 290.289 0.776 10 0 CCAELP O=C([C@@H]1CCC[NH2+]1)N1CC[NH+](Cc2ccco2)CC1 ZINC000037497735 173236670 /nfs/dbraw/zinc/23/66/70/173236670.db2.gz ZYLJRCFNOVAAGL-ZDUSSCGKSA-N 2 2 263.341 0.676 10 0 CCAELP O=C(Nc1ncccn1)[C@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000038042966 174048590 /nfs/dbraw/zinc/04/85/90/174048590.db2.gz WWTSJZVKUFEATO-GFCCVEGCSA-N 2 2 275.356 0.632 10 0 CCAELP O=C(Nc1ncccn1)[C@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000038042966 174048592 /nfs/dbraw/zinc/04/85/92/174048592.db2.gz WWTSJZVKUFEATO-GFCCVEGCSA-N 2 2 275.356 0.632 10 0 CCAELP C[C@@H]([NH2+]CCCS(C)(=O)=O)[C@H]1CCC[N@H+](C)C1 ZINC000038047495 174057779 /nfs/dbraw/zinc/05/77/79/174057779.db2.gz UFDHLLGCXREQTE-NEPJUHHUSA-N 2 2 262.419 0.741 10 0 CCAELP C[C@@H]([NH2+]CCCS(C)(=O)=O)[C@H]1CCC[N@@H+](C)C1 ZINC000038047495 174057780 /nfs/dbraw/zinc/05/77/80/174057780.db2.gz UFDHLLGCXREQTE-NEPJUHHUSA-N 2 2 262.419 0.741 10 0 CCAELP CCNc1nc[nH+]c(NN2CC[NH+](C)CC2)c1N ZINC000040707304 174379822 /nfs/dbraw/zinc/37/98/22/174379822.db2.gz VCOKUKLPLHIWRO-UHFFFAOYSA-N 2 2 251.338 0.065 10 0 CCAELP CCC[NH2+][C@H](CC[N@H+](C)C[C@@H]1CC[NH+](C)C1)C(N)=O ZINC000071191053 176067811 /nfs/dbraw/zinc/06/78/11/176067811.db2.gz QZHAEBNFEUBCNG-CHWSQXEVSA-N 3 2 270.421 0.114 10 0 CCAELP CCC[NH2+][C@H](CC[N@@H+](C)C[C@@H]1CC[NH+](C)C1)C(N)=O ZINC000071191053 176067813 /nfs/dbraw/zinc/06/78/13/176067813.db2.gz QZHAEBNFEUBCNG-CHWSQXEVSA-N 3 2 270.421 0.114 10 0 CCAELP CCC[NH2+][C@H](CC[NH+](C)C[C@@H]1CC[N@H+](C)C1)C(N)=O ZINC000071191053 176067814 /nfs/dbraw/zinc/06/78/14/176067814.db2.gz QZHAEBNFEUBCNG-CHWSQXEVSA-N 3 2 270.421 0.114 10 0 CCAELP CCC[NH2+][C@H](CC[NH+](C)C[C@@H]1CC[N@@H+](C)C1)C(N)=O ZINC000071191053 176067815 /nfs/dbraw/zinc/06/78/15/176067815.db2.gz QZHAEBNFEUBCNG-CHWSQXEVSA-N 3 2 270.421 0.114 10 0 CCAELP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cccc2c1OCCO2 ZINC000262107059 544941013 /nfs/dbraw/zinc/94/10/13/544941013.db2.gz JRTXUNDRTOMLNY-NWDGAFQWSA-N 2 2 264.325 0.128 10 0 CCAELP Cn1cc([C@@H]2CCC[N@H+]2C[C@@H]2C[NH2+]CCO2)cn1 ZINC000311129856 545012431 /nfs/dbraw/zinc/01/24/31/545012431.db2.gz WHNCHXXKGOKQQQ-STQMWFEESA-N 2 2 250.346 0.545 10 0 CCAELP CC[N@@H+]1CC[C@H](NC(=O)NC[C@H](C)[NH+]2CCOCC2)C1 ZINC000334022794 545045229 /nfs/dbraw/zinc/04/52/29/545045229.db2.gz DRTMZXJEJNEVJJ-STQMWFEESA-N 2 2 284.404 0.101 10 0 CCAELP CC[N@H+]1CC[C@H](NC(=O)NC[C@H](C)[NH+]2CCOCC2)C1 ZINC000334022794 545045230 /nfs/dbraw/zinc/04/52/30/545045230.db2.gz DRTMZXJEJNEVJJ-STQMWFEESA-N 2 2 284.404 0.101 10 0 CCAELP c1cnc(N2CC[NH2+]CC2)c(C[NH+]2CCOCC2)c1 ZINC000253567715 275073517 /nfs/dbraw/zinc/07/35/17/275073517.db2.gz KJHRWKSMNHXFKS-UHFFFAOYSA-N 2 2 262.357 0.323 10 0 CCAELP C[N@@H+]1CCO[C@H]2CCN(c3[nH+]cnc4[nH]ccc43)C[C@@H]21 ZINC000328946250 277129967 /nfs/dbraw/zinc/12/99/67/277129967.db2.gz JYANJORMVKBAGT-RYUDHWBXSA-N 2 2 273.340 0.867 10 0 CCAELP C[N@H+]1CCO[C@H]2CCN(c3[nH+]cnc4[nH]ccc43)C[C@@H]21 ZINC000328946250 277129968 /nfs/dbraw/zinc/12/99/68/277129968.db2.gz JYANJORMVKBAGT-RYUDHWBXSA-N 2 2 273.340 0.867 10 0 CCAELP [NH3+]C[C@H](NC(=O)CCn1cc[nH+]c1)C(F)(F)F ZINC000401768800 545090488 /nfs/dbraw/zinc/09/04/88/545090488.db2.gz CHCAHDFCZYGMNJ-ZETCQYMHSA-N 2 2 250.224 0.279 10 0 CCAELP CC(C)[NH2+]Cc1cn(CC[N@@H+]2CCOC[C@H]2C)nn1 ZINC000052475932 519728278 /nfs/dbraw/zinc/72/82/78/519728278.db2.gz CWCMWEMXYANJHF-GFCCVEGCSA-N 2 2 267.377 0.497 10 0 CCAELP CC(C)[NH2+]Cc1cn(CC[N@H+]2CCOC[C@H]2C)nn1 ZINC000052475932 519728280 /nfs/dbraw/zinc/72/82/80/519728280.db2.gz CWCMWEMXYANJHF-GFCCVEGCSA-N 2 2 267.377 0.497 10 0 CCAELP CC[NH2+][C@@H](CCN1CC[NH+](C2CC2)CC1)C(=O)OC ZINC000062527159 520088065 /nfs/dbraw/zinc/08/80/65/520088065.db2.gz GKLQUHIKIHHRLL-ZDUSSCGKSA-N 2 2 269.389 0.308 10 0 CCAELP CCC[NH2+][C@H](CCN1CC[NH+](C)CC1)C(=O)OCC ZINC000062440471 520074151 /nfs/dbraw/zinc/07/41/51/520074151.db2.gz CKZBXONQFFCPKN-CYBMUJFWSA-N 2 2 271.405 0.555 10 0 CCAELP O[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]12)Cn1cccn1 ZINC000049567277 526282460 /nfs/dbraw/zinc/28/24/60/526282460.db2.gz RYZWQMAKPRHWAH-FRRDWIJNSA-N 2 2 250.346 0.070 10 0 CCAELP O[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]12)Cn1cccn1 ZINC000049567277 526282465 /nfs/dbraw/zinc/28/24/65/526282465.db2.gz RYZWQMAKPRHWAH-FRRDWIJNSA-N 2 2 250.346 0.070 10 0 CCAELP Cc1oc(C[N@@H+](C)[C@H]2CCS(=O)(=O)C2)cc1C[NH3+] ZINC000052482805 526769535 /nfs/dbraw/zinc/76/95/35/526769535.db2.gz YQGACXQMUFVQEH-NSHDSACASA-N 2 2 272.370 0.666 10 0 CCAELP Cc1oc(C[N@H+](C)[C@H]2CCS(=O)(=O)C2)cc1C[NH3+] ZINC000052482805 526769539 /nfs/dbraw/zinc/76/95/39/526769539.db2.gz YQGACXQMUFVQEH-NSHDSACASA-N 2 2 272.370 0.666 10 0 CCAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CN1CC(=O)N(C)C1=O ZINC000182287950 638465057 /nfs/dbraw/zinc/46/50/57/638465057.db2.gz OGQLZVBPRQENGK-GFCCVEGCSA-N 2 2 291.355 0.507 10 0 CCAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CN1CC(=O)N(C)C1=O ZINC000182287950 638465061 /nfs/dbraw/zinc/46/50/61/638465061.db2.gz OGQLZVBPRQENGK-GFCCVEGCSA-N 2 2 291.355 0.507 10 0 CCAELP C[C@@H](CNC(=O)NC[C@H]1C[N@H+](C)CCO1)C[NH+]1CCCC1 ZINC000105161243 349721639 /nfs/dbraw/zinc/72/16/39/349721639.db2.gz MFCHWCFNALDRHL-KBPBESRZSA-N 2 2 298.431 0.348 10 0 CCAELP C[C@@H](CNC(=O)NC[C@H]1C[N@@H+](C)CCO1)C[NH+]1CCCC1 ZINC000105161243 349721642 /nfs/dbraw/zinc/72/16/42/349721642.db2.gz MFCHWCFNALDRHL-KBPBESRZSA-N 2 2 298.431 0.348 10 0 CCAELP O=C(CC[C@H]1CCC[NH2+]1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000261856051 137022690 /nfs/dbraw/zinc/02/26/90/137022690.db2.gz XFNHDHCCSQOYSV-KGLIPLIRSA-N 2 2 281.400 0.452 10 0 CCAELP Cn1nc(C[NH2+]CCC[NH2+]CCO)c(-c2ccccc2)n1 ZINC000057353467 348607979 /nfs/dbraw/zinc/60/79/79/348607979.db2.gz RZOYSDDYKCAMJJ-UHFFFAOYSA-N 2 2 289.383 0.544 10 0 CCAELP CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](CC[NH3+])C[C@@H]2C1 ZINC000144219707 350462858 /nfs/dbraw/zinc/46/28/58/350462858.db2.gz UHXAAMHNYFEJBS-PHIMTYICSA-N 2 2 255.362 0.744 10 0 CCAELP CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](CC[NH3+])C[C@@H]2C1 ZINC000144219707 350462861 /nfs/dbraw/zinc/46/28/61/350462861.db2.gz UHXAAMHNYFEJBS-PHIMTYICSA-N 2 2 255.362 0.744 10 0 CCAELP COC[C@@H]([NH3+])C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000167846032 350815370 /nfs/dbraw/zinc/81/53/70/350815370.db2.gz ZIKQDDVLSJDICK-GFCCVEGCSA-N 2 2 283.397 0.366 10 0 CCAELP C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1C ZINC000174750253 351101917 /nfs/dbraw/zinc/10/19/17/351101917.db2.gz ZMALIEAJUMBBPG-MGPQQGTHSA-N 2 2 298.431 0.441 10 0 CCAELP C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2C[NH+](C)CCO2)CC[N@H+]1C ZINC000174750253 351101923 /nfs/dbraw/zinc/10/19/23/351101923.db2.gz ZMALIEAJUMBBPG-MGPQQGTHSA-N 2 2 298.431 0.441 10 0 CCAELP C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2C[N@H+](C)CCO2)CC[NH+]1C ZINC000174750253 351101927 /nfs/dbraw/zinc/10/19/27/351101927.db2.gz ZMALIEAJUMBBPG-MGPQQGTHSA-N 2 2 298.431 0.441 10 0 CCAELP C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1C ZINC000174750253 351101930 /nfs/dbraw/zinc/10/19/30/351101930.db2.gz ZMALIEAJUMBBPG-MGPQQGTHSA-N 2 2 298.431 0.441 10 0 CCAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCN1C(=O)CCC1=O ZINC000178284702 351226273 /nfs/dbraw/zinc/22/62/73/351226273.db2.gz USYSMZQUZBYIST-CYBMUJFWSA-N 2 2 290.367 0.805 10 0 CCAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCN1C(=O)CCC1=O ZINC000178284702 351226274 /nfs/dbraw/zinc/22/62/74/351226274.db2.gz USYSMZQUZBYIST-CYBMUJFWSA-N 2 2 290.367 0.805 10 0 CCAELP CC[C@@H]1CN([C@@H](C)C[NH+]2CCOCC2)CC[N@@H+]1CCOC ZINC000180477938 351286600 /nfs/dbraw/zinc/28/66/00/351286600.db2.gz XKZTXDSFPUGDHI-JKSUJKDBSA-N 2 2 299.459 0.750 10 0 CCAELP CC[C@@H]1CN([C@@H](C)C[NH+]2CCOCC2)CC[N@H+]1CCOC ZINC000180477938 351286603 /nfs/dbraw/zinc/28/66/03/351286603.db2.gz XKZTXDSFPUGDHI-JKSUJKDBSA-N 2 2 299.459 0.750 10 0 CCAELP CC(C)[NH2+]CC[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000193477415 351829463 /nfs/dbraw/zinc/82/94/63/351829463.db2.gz KJNLDVKDBPRJPW-ZDUSSCGKSA-N 2 2 251.378 0.988 10 0 CCAELP CC(C)[NH2+]CC[N@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000193477415 351829464 /nfs/dbraw/zinc/82/94/64/351829464.db2.gz KJNLDVKDBPRJPW-ZDUSSCGKSA-N 2 2 251.378 0.988 10 0 CCAELP C[N@@H+]1CCO[C@@H](C(=O)NCc2cn3c([nH+]2)CCCC3)C1 ZINC000266862821 352727839 /nfs/dbraw/zinc/72/78/39/352727839.db2.gz VEXSEGUNIGMCBA-GFCCVEGCSA-N 2 2 278.356 0.166 10 0 CCAELP C[N@H+]1CCO[C@@H](C(=O)NCc2cn3c([nH+]2)CCCC3)C1 ZINC000266862821 352727843 /nfs/dbraw/zinc/72/78/43/352727843.db2.gz VEXSEGUNIGMCBA-GFCCVEGCSA-N 2 2 278.356 0.166 10 0 CCAELP CC[NH+](CC)CC(=O)N1CCN(C)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000328625450 354241397 /nfs/dbraw/zinc/24/13/97/354241397.db2.gz KTTJHPBGDCCCOZ-GFCCVEGCSA-N 2 2 279.388 0.567 10 0 CCAELP CO[C@H]1C[C@@H](CO)[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000314120523 354221898 /nfs/dbraw/zinc/22/18/98/354221898.db2.gz DIXSZULZSLYTBN-STQMWFEESA-N 2 2 253.346 0.434 10 0 CCAELP CO[C@H]1C[C@@H](CO)[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000314120523 354221899 /nfs/dbraw/zinc/22/18/99/354221899.db2.gz DIXSZULZSLYTBN-STQMWFEESA-N 2 2 253.346 0.434 10 0 CCAELP CN(C[C@@H]1CCn2cc[nH+]c2C1)C(=O)C[NH+](C)C ZINC000328622367 354239722 /nfs/dbraw/zinc/23/97/22/354239722.db2.gz BFPFPRYCXJJOEX-LLVKDONJSA-N 2 2 250.346 0.466 10 0 CCAELP Cc1nc(N2CCC[C@H]2C(=O)N2CC[NH+](C)CC2)cc[nH+]1 ZINC000408241653 357988451 /nfs/dbraw/zinc/98/84/51/357988451.db2.gz YSJUVHHCKRAPRU-ZDUSSCGKSA-N 2 2 289.383 0.528 10 0 CCAELP CCc1nnc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)n1C ZINC000569693899 358785999 /nfs/dbraw/zinc/78/59/99/358785999.db2.gz AJMFRYUBKULODS-TUAOUCFPSA-N 2 2 263.389 0.937 10 0 CCAELP CCc1nnc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)n1C ZINC000569693899 358786002 /nfs/dbraw/zinc/78/60/02/358786002.db2.gz AJMFRYUBKULODS-TUAOUCFPSA-N 2 2 263.389 0.937 10 0 CCAELP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000177176095 189034387 /nfs/dbraw/zinc/03/43/87/189034387.db2.gz HYQQTOPBRXYMFI-UONOGXRCSA-N 2 2 292.383 0.513 10 0 CCAELP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000177176095 189034388 /nfs/dbraw/zinc/03/43/88/189034388.db2.gz HYQQTOPBRXYMFI-UONOGXRCSA-N 2 2 292.383 0.513 10 0 CCAELP CCOC(=O)C[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000599292263 361636448 /nfs/dbraw/zinc/63/64/48/361636448.db2.gz AAQYOYJIHPCOQL-NWDGAFQWSA-N 2 2 258.362 0.184 10 0 CCAELP CCOC(=O)C[C@@H](O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000599292263 361636453 /nfs/dbraw/zinc/63/64/53/361636453.db2.gz AAQYOYJIHPCOQL-NWDGAFQWSA-N 2 2 258.362 0.184 10 0 CCAELP C[C@]1(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)CCC[NH2+]C1 ZINC000062976723 291355722 /nfs/dbraw/zinc/35/57/22/291355722.db2.gz UZSUUJXDLUWJCF-ZFWWWQNUSA-N 2 2 281.400 0.309 10 0 CCAELP C[C@H]1CN(C(=O)Cc2cn3ccccc3[nH+]2)C[C@H]1[NH3+] ZINC000335515064 212201259 /nfs/dbraw/zinc/20/12/59/212201259.db2.gz GLXCZDJVICSAHB-CMPLNLGQSA-N 2 2 258.325 0.682 10 0 CCAELP C[C@@H]1[C@H]([NH3+])CCN1C(=O)Cc1cn2ccccc2[nH+]1 ZINC000335504017 212184949 /nfs/dbraw/zinc/18/49/49/212184949.db2.gz FUSXBUQUYRCDLT-ZYHUDNBSSA-N 2 2 258.325 0.825 10 0 CCAELP CO[C@H]1CN(C(=O)CCn2cc[nH+]c2)[C@@](C)(C[NH3+])C1 ZINC000630370485 370072425 /nfs/dbraw/zinc/07/24/25/370072425.db2.gz FBYMETFWEMSRLF-DGCLKSJQSA-N 2 2 266.345 0.238 10 0 CCAELP CC1(C)COCC[N@@H+]1CCNC(=O)NC[C@@H]1CC[NH2+]C1 ZINC000333370953 205262726 /nfs/dbraw/zinc/26/27/26/205262726.db2.gz MJOBUEPDPABTQV-GFCCVEGCSA-N 2 2 284.404 0.006 10 0 CCAELP CC1(C)COCC[N@H+]1CCNC(=O)NC[C@@H]1CC[NH2+]C1 ZINC000333370953 205262727 /nfs/dbraw/zinc/26/27/27/205262727.db2.gz MJOBUEPDPABTQV-GFCCVEGCSA-N 2 2 284.404 0.006 10 0 CCAELP C[C@H](NC(=O)N[C@@H]1CCCC[NH2+]C1)[C@H](C)[NH+]1CCOCC1 ZINC000333430902 205313002 /nfs/dbraw/zinc/31/30/02/205313002.db2.gz UNPFEBMOBJIAKF-MELADBBJSA-N 2 2 298.431 0.537 10 0 CCAELP Cc1[nH+]cc(C[NH2+][C@H]2CCCN(CCO)C2)n1C ZINC000657350470 412968573 /nfs/dbraw/zinc/96/85/73/412968573.db2.gz DPAPTWWIOWDJAD-LBPRGKRZSA-N 2 2 252.362 0.275 10 0 CCAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+]([C@H]2CCNC2=O)C1 ZINC000248638079 285072048 /nfs/dbraw/zinc/07/20/48/285072048.db2.gz ATLXXFATDZQLEH-GJZGRUSLSA-N 2 2 288.395 0.724 10 0 CCAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC000248638079 285072054 /nfs/dbraw/zinc/07/20/54/285072054.db2.gz ATLXXFATDZQLEH-GJZGRUSLSA-N 2 2 288.395 0.724 10 0 CCAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC000248638079 285072056 /nfs/dbraw/zinc/07/20/56/285072056.db2.gz ATLXXFATDZQLEH-GJZGRUSLSA-N 2 2 288.395 0.724 10 0 CCAELP CC[C@@H]1CN(c2cc[nH+]cc2C(N)=O)CC[N@@H+]1CCOC ZINC000302035967 389062446 /nfs/dbraw/zinc/06/24/46/389062446.db2.gz PIZYIJHYBATXAL-GFCCVEGCSA-N 2 2 292.383 0.728 10 0 CCAELP CC[C@@H]1CN(c2cc[nH+]cc2C(N)=O)CC[N@H+]1CCOC ZINC000302035967 389062449 /nfs/dbraw/zinc/06/24/49/389062449.db2.gz PIZYIJHYBATXAL-GFCCVEGCSA-N 2 2 292.383 0.728 10 0 CCAELP O=C(NCCn1cc[nH+]c1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000193207060 389062820 /nfs/dbraw/zinc/06/28/20/389062820.db2.gz RZQZHUMCFWBNLA-CYBMUJFWSA-N 2 2 295.387 0.029 10 0 CCAELP CN1C(=O)C[C@H]([N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)C1=O ZINC000246246688 389226072 /nfs/dbraw/zinc/22/60/72/389226072.db2.gz DVYUQXWHEORNQS-XBFCOCLRSA-N 2 2 291.395 0.692 10 0 CCAELP CN1C(=O)C[C@H]([N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)C1=O ZINC000246246688 389226074 /nfs/dbraw/zinc/22/60/74/389226074.db2.gz DVYUQXWHEORNQS-XBFCOCLRSA-N 2 2 291.395 0.692 10 0 CCAELP CN1C(=O)C[C@H]([NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C1=O ZINC000246246688 389226078 /nfs/dbraw/zinc/22/60/78/389226078.db2.gz DVYUQXWHEORNQS-XBFCOCLRSA-N 2 2 291.395 0.692 10 0 CCAELP CN1C(=O)C[C@H]([NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)C1=O ZINC000246246688 389226080 /nfs/dbraw/zinc/22/60/80/389226080.db2.gz DVYUQXWHEORNQS-XBFCOCLRSA-N 2 2 291.395 0.692 10 0 CCAELP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000262712177 389293276 /nfs/dbraw/zinc/29/32/76/389293276.db2.gz RINPNUJDNCGATG-SDDRHHMPSA-N 2 2 298.456 0.995 10 0 CCAELP CC[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H]2C[NH+](C)CCO2)C1 ZINC000332700054 389358717 /nfs/dbraw/zinc/35/87/17/389358717.db2.gz ASZSJLBKJOODJE-KBPBESRZSA-N 2 2 298.431 0.348 10 0 CCAELP CC[N@H+]1CCC[C@@H](CNC(=O)NC[C@H]2C[NH+](C)CCO2)C1 ZINC000332700054 389358719 /nfs/dbraw/zinc/35/87/19/389358719.db2.gz ASZSJLBKJOODJE-KBPBESRZSA-N 2 2 298.431 0.348 10 0 CCAELP CC[NH+]1CCC[C@@H](CNC(=O)NC[C@H]2C[N@H+](C)CCO2)C1 ZINC000332700054 389358722 /nfs/dbraw/zinc/35/87/22/389358722.db2.gz ASZSJLBKJOODJE-KBPBESRZSA-N 2 2 298.431 0.348 10 0 CCAELP CC[NH+]1CCC[C@@H](CNC(=O)NC[C@H]2C[N@@H+](C)CCO2)C1 ZINC000332700054 389358723 /nfs/dbraw/zinc/35/87/23/389358723.db2.gz ASZSJLBKJOODJE-KBPBESRZSA-N 2 2 298.431 0.348 10 0 CCAELP CC(C)[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000173969170 389513689 /nfs/dbraw/zinc/51/36/89/389513689.db2.gz AJWMZQDZBVWRNO-ZIAGYGMSSA-N 2 2 283.416 0.506 10 0 CCAELP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000173969170 389513691 /nfs/dbraw/zinc/51/36/91/389513691.db2.gz AJWMZQDZBVWRNO-ZIAGYGMSSA-N 2 2 283.416 0.506 10 0 CCAELP C[C@@H](C[NH2+]C[C@H](O)C(C)(C)C)C[NH+]1CCOCC1 ZINC000644571874 390255958 /nfs/dbraw/zinc/25/59/58/390255958.db2.gz CGURAFXOCZBZBR-STQMWFEESA-N 2 2 258.406 0.951 10 0 CCAELP Cc1c[nH+]c2cc(C(=O)NC[C@H]3C[N@H+](C)CCO3)ccn12 ZINC000519660203 390526651 /nfs/dbraw/zinc/52/66/51/390526651.db2.gz ZTENDDSIGNQEJN-ZDUSSCGKSA-N 2 2 288.351 0.703 10 0 CCAELP Cc1c[nH+]c2cc(C(=O)NC[C@H]3C[N@@H+](C)CCO3)ccn12 ZINC000519660203 390526657 /nfs/dbraw/zinc/52/66/57/390526657.db2.gz ZTENDDSIGNQEJN-ZDUSSCGKSA-N 2 2 288.351 0.703 10 0 CCAELP CCOCC[N@@H+]1CCN(C(=O)[C@@]2(F)CC[NH2+]C2)C[C@@H]1C ZINC000246212050 286086427 /nfs/dbraw/zinc/08/64/27/286086427.db2.gz FVIVUPSWADPURS-GXTWGEPZSA-N 2 2 287.379 0.257 10 0 CCAELP CCOCC[N@H+]1CCN(C(=O)[C@@]2(F)CC[NH2+]C2)C[C@@H]1C ZINC000246212050 286086432 /nfs/dbraw/zinc/08/64/32/286086432.db2.gz FVIVUPSWADPURS-GXTWGEPZSA-N 2 2 287.379 0.257 10 0 CCAELP CCC(CC)(C[NH3+])C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062976551 411687616 /nfs/dbraw/zinc/68/76/16/411687616.db2.gz AJHFROHHABQPBU-ZDUSSCGKSA-N 2 2 283.416 0.685 10 0 CCAELP [NH3+]CCc1csc(NCC[NH+]2CCOCC2)n1 ZINC000020185242 171047890 /nfs/dbraw/zinc/04/78/90/171047890.db2.gz HALVXHPLVFNWLP-UHFFFAOYSA-N 2 2 256.375 0.388 10 0 CCAELP CC[NH+]1CCN([C@@]2(C[NH3+])C[NH+]3CCC2CC3)CC1 ZINC000020442253 171205186 /nfs/dbraw/zinc/20/51/86/171205186.db2.gz QYVAMLKOHSZNNO-AWEZNQCLSA-N 3 2 252.406 0.047 10 0 CCAELP C[C@@H]1CC[C@H](C(=O)NCCCn2cc[nH+]c2)C[NH2+]1 ZINC000020506419 171228701 /nfs/dbraw/zinc/22/87/01/171228701.db2.gz AKIVQQFOUNZMMT-NEPJUHHUSA-N 2 2 250.346 0.778 10 0 CCAELP C[C@H]1CC[C@@H](C(=O)NCCCn2cc[nH+]c2)C[NH2+]1 ZINC000020506418 171228809 /nfs/dbraw/zinc/22/88/09/171228809.db2.gz AKIVQQFOUNZMMT-NWDGAFQWSA-N 2 2 250.346 0.778 10 0 CCAELP CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000662702624 414743605 /nfs/dbraw/zinc/74/36/05/414743605.db2.gz AKYCJUZIRWKQFK-UWVGGRQHSA-N 2 2 261.316 0.584 10 0 CCAELP CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000662702624 414743606 /nfs/dbraw/zinc/74/36/06/414743606.db2.gz AKYCJUZIRWKQFK-UWVGGRQHSA-N 2 2 261.316 0.584 10 0 CCAELP CCC[N@@H+]1CC[C@H]([NH3+])C12C[C@H]1CC[C@@H](C2)S1(=O)=O ZINC000725266031 545886994 /nfs/dbraw/zinc/88/69/94/545886994.db2.gz OAWGJINEDRVKCX-FXJUQPSGSA-N 2 2 272.414 0.908 10 0 CCAELP CCC[N@H+]1CC[C@H]([NH3+])C12C[C@H]1CC[C@@H](C2)S1(=O)=O ZINC000725266031 545886997 /nfs/dbraw/zinc/88/69/97/545886997.db2.gz OAWGJINEDRVKCX-FXJUQPSGSA-N 2 2 272.414 0.908 10 0 CCAELP O=C(C[C@@H]1CCC[NH2+]C1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062976838 544447062 /nfs/dbraw/zinc/44/70/62/544447062.db2.gz RBTCMDMRFXFXQI-KBPBESRZSA-N 2 2 281.400 0.309 10 0 CCAELP C[C@@H]1[NH2+]CCC[C@H]1Nc1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000333528443 545039790 /nfs/dbraw/zinc/03/97/90/545039790.db2.gz LVTSMOOJVUQLDZ-RWMBFGLXSA-N 2 2 291.399 0.990 10 0 CCAELP Cn1ncc2c1nc(NC[C@@]1(C)CCC[NH2+]C1)[nH+]c2N ZINC000333620329 545040966 /nfs/dbraw/zinc/04/09/66/545040966.db2.gz ZIXBRZSZSDSESR-ZDUSSCGKSA-N 2 2 275.360 0.169 10 0 CCAELP c1ccc(C[NH+]2CCN(CC[NH2+][C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000390617341 262228887 /nfs/dbraw/zinc/22/88/87/262228887.db2.gz YLVOPHKFIZWKSL-QGZVFWFLSA-N 3 2 288.439 0.756 10 0 CCAELP CC(C)N1C(=O)C[C@H]([NH2+][C@@H](C)CC[NH+](C)C)C1=O ZINC000049554924 519667585 /nfs/dbraw/zinc/66/75/85/519667585.db2.gz CAOFJXRZMFWYBC-QWRGUYRKSA-N 2 2 255.362 0.452 10 0 CCAELP CCC[NH2+]C[C@H](C)C[NH+]1CCN(CC[NH+](C)C)CC1 ZINC000061655001 519932399 /nfs/dbraw/zinc/93/23/99/519932399.db2.gz YLGYXNKREWZRFT-HNNXBMFYSA-N 3 2 270.465 0.801 10 0 CCAELP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C[C@@H]1CCS(=O)(=O)C1 ZINC000054602205 527145762 /nfs/dbraw/zinc/14/57/62/527145762.db2.gz INTQWVFIKRRSNJ-WODVXLOZSA-N 2 2 272.414 0.765 10 0 CCAELP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@@H]1CCS(=O)(=O)C1 ZINC000054602205 527145768 /nfs/dbraw/zinc/14/57/68/527145768.db2.gz INTQWVFIKRRSNJ-WODVXLOZSA-N 2 2 272.414 0.765 10 0 CCAELP COC[C@H]([NH3+])C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000262328082 536860213 /nfs/dbraw/zinc/86/02/13/536860213.db2.gz RGHWVJTWTOBESQ-NEPJUHHUSA-N 2 2 280.372 0.175 10 0 CCAELP C[N@H+]1CCO[C@H](CNC(=O)CCCCCC[NH3+])C1 ZINC000091669276 624965156 /nfs/dbraw/zinc/96/51/56/624965156.db2.gz BSEYAABLWWDTSZ-GFCCVEGCSA-N 2 2 257.378 0.342 10 0 CCAELP C[N@@H+]1CCO[C@H](CNC(=O)CCCCCC[NH3+])C1 ZINC000091669276 624965121 /nfs/dbraw/zinc/96/51/21/624965121.db2.gz BSEYAABLWWDTSZ-GFCCVEGCSA-N 2 2 257.378 0.342 10 0 CCAELP O=C(NCC[NH+]1CCOCC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105064464 349720200 /nfs/dbraw/zinc/72/02/00/349720200.db2.gz PSNSYNMHZXNIIS-CQSZACIVSA-N 2 2 296.415 0.198 10 0 CCAELP O=C(NCC[NH+]1CCOCC1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000105064464 349720204 /nfs/dbraw/zinc/72/02/04/349720204.db2.gz PSNSYNMHZXNIIS-CQSZACIVSA-N 2 2 296.415 0.198 10 0 CCAELP CCCc1csc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)n1 ZINC000263140627 137059106 /nfs/dbraw/zinc/05/91/06/137059106.db2.gz CGECHIFCWOBBGV-MWLCHTKSSA-N 2 2 255.387 0.766 10 0 CCAELP C[C@H](C(=O)N1CC[C@H]([NH3+])C(C)(C)C1)[NH+]1CCOCC1 ZINC000261919777 137026311 /nfs/dbraw/zinc/02/63/11/137026311.db2.gz UWLDYLKTDRMKPO-NEPJUHHUSA-N 2 2 269.389 0.293 10 0 CCAELP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)C1C[NH2+]C1 ZINC000263242024 137061457 /nfs/dbraw/zinc/06/14/57/137061457.db2.gz CKVIJLJARHDOHY-UHFFFAOYSA-N 2 2 274.299 0.847 10 0 CCAELP CCC[C@@](C)([NH3+])C(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC000037819301 348210193 /nfs/dbraw/zinc/21/01/93/348210193.db2.gz NUTXNRUCOQNKJP-OAHLLOKOSA-N 2 2 298.431 0.126 10 0 CCAELP CCC[C@@](C)([NH3+])C(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC000037819301 348210196 /nfs/dbraw/zinc/21/01/96/348210196.db2.gz NUTXNRUCOQNKJP-OAHLLOKOSA-N 2 2 298.431 0.126 10 0 CCAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)NC(=O)NC)C1 ZINC000105896322 186085437 /nfs/dbraw/zinc/08/54/37/186085437.db2.gz VGSFINJCJIMFTQ-NSHDSACASA-N 2 2 293.371 0.538 10 0 CCAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)NC(=O)NC)C1 ZINC000105896322 186085439 /nfs/dbraw/zinc/08/54/39/186085439.db2.gz VGSFINJCJIMFTQ-NSHDSACASA-N 2 2 293.371 0.538 10 0 CCAELP C[N@@H+]1CCO[C@@H](CNC(=O)NCCC[NH+]2CCCCC2)C1 ZINC000171596049 350919276 /nfs/dbraw/zinc/91/92/76/350919276.db2.gz MXEVEESJBPXRCG-AWEZNQCLSA-N 2 2 298.431 0.492 10 0 CCAELP C[N@H+]1CCO[C@@H](CNC(=O)NCCC[NH+]2CCCCC2)C1 ZINC000171596049 350919278 /nfs/dbraw/zinc/91/92/78/350919278.db2.gz MXEVEESJBPXRCG-AWEZNQCLSA-N 2 2 298.431 0.492 10 0 CCAELP COCCOCC[NH+]1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000175660649 351138523 /nfs/dbraw/zinc/13/85/23/351138523.db2.gz RYFLPRVBPUQXLD-AWEZNQCLSA-N 2 2 286.416 0.835 10 0 CCAELP COCCOCC[NH+]1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000175660649 351138526 /nfs/dbraw/zinc/13/85/26/351138526.db2.gz RYFLPRVBPUQXLD-AWEZNQCLSA-N 2 2 286.416 0.835 10 0 CCAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCNS(C)(=O)=O ZINC000178309996 351227607 /nfs/dbraw/zinc/22/76/07/351227607.db2.gz OCLTYRDWGAAAHD-GFCCVEGCSA-N 2 2 286.401 0.205 10 0 CCAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCNS(C)(=O)=O ZINC000178309996 351227610 /nfs/dbraw/zinc/22/76/10/351227610.db2.gz OCLTYRDWGAAAHD-GFCCVEGCSA-N 2 2 286.401 0.205 10 0 CCAELP CCNS(=O)(=O)[C@H]1CC[N@H+](CCC[NH+]2CCCC2)C1 ZINC000179458183 351268024 /nfs/dbraw/zinc/26/80/24/351268024.db2.gz XWEJRMVOQXLEFS-ZDUSSCGKSA-N 2 2 289.445 0.486 10 0 CCAELP CCNS(=O)(=O)[C@H]1CC[N@@H+](CCC[NH+]2CCCC2)C1 ZINC000179458183 351268028 /nfs/dbraw/zinc/26/80/28/351268028.db2.gz XWEJRMVOQXLEFS-ZDUSSCGKSA-N 2 2 289.445 0.486 10 0 CCAELP C[C@H]1OCCC[C@H]1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000188937093 351640571 /nfs/dbraw/zinc/64/05/71/351640571.db2.gz QSOCUAJCELYEJL-UKRRQHHQSA-N 2 2 297.443 0.944 10 0 CCAELP CC(C)=CC[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000192316258 351786180 /nfs/dbraw/zinc/78/61/80/351786180.db2.gz HHNQNOSQURUWCC-CQSZACIVSA-N 2 2 281.400 0.475 10 0 CCAELP C[C@@H](C(=O)NC[C@H]1CCCO1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193648155 351837750 /nfs/dbraw/zinc/83/77/50/351837750.db2.gz XKSQOBCOAKSKHV-IGQOVBAYSA-N 2 2 281.400 0.164 10 0 CCAELP C[C@@H](C(=O)NC[C@H]1CCCO1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193648155 351837755 /nfs/dbraw/zinc/83/77/55/351837755.db2.gz XKSQOBCOAKSKHV-IGQOVBAYSA-N 2 2 281.400 0.164 10 0 CCAELP C[C@@H](C(=O)NC[C@H]1CCCO1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193648155 351837758 /nfs/dbraw/zinc/83/77/58/351837758.db2.gz XKSQOBCOAKSKHV-IGQOVBAYSA-N 2 2 281.400 0.164 10 0 CCAELP C[C@@H](C(=O)NC[C@H]1CCCO1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193648155 351837761 /nfs/dbraw/zinc/83/77/61/351837761.db2.gz XKSQOBCOAKSKHV-IGQOVBAYSA-N 2 2 281.400 0.164 10 0 CCAELP COC[C@@H](O)C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195269289 351906982 /nfs/dbraw/zinc/90/69/82/351906982.db2.gz MKPJFIJMZKNEPR-CVEARBPZSA-N 2 2 293.411 0.843 10 0 CCAELP COC[C@@H](O)C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195269289 351906985 /nfs/dbraw/zinc/90/69/85/351906985.db2.gz MKPJFIJMZKNEPR-CVEARBPZSA-N 2 2 293.411 0.843 10 0 CCAELP COC[C@@H](O)C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195269289 351906989 /nfs/dbraw/zinc/90/69/89/351906989.db2.gz MKPJFIJMZKNEPR-CVEARBPZSA-N 2 2 293.411 0.843 10 0 CCAELP COC[C@@H](O)C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195269289 351906992 /nfs/dbraw/zinc/90/69/92/351906992.db2.gz MKPJFIJMZKNEPR-CVEARBPZSA-N 2 2 293.411 0.843 10 0 CCAELP C[N@@H+]1CCN(c2ncc(Cl)cc2F)[C@@H](C[NH3+])C1 ZINC000226622167 352031607 /nfs/dbraw/zinc/03/16/07/352031607.db2.gz HOWFTXBIYXPXRP-VIFPVBQESA-N 2 2 258.728 0.953 10 0 CCAELP C[N@H+]1CCN(c2ncc(Cl)cc2F)[C@@H](C[NH3+])C1 ZINC000226622167 352031611 /nfs/dbraw/zinc/03/16/11/352031611.db2.gz HOWFTXBIYXPXRP-VIFPVBQESA-N 2 2 258.728 0.953 10 0 CCAELP Cc1ccc(N2CCC(NC(=O)[C@@H](C)[NH3+])CC2)[nH+]c1 ZINC000237457346 352266230 /nfs/dbraw/zinc/26/62/30/352266230.db2.gz SLCKRXXVAWAOFN-LLVKDONJSA-N 2 2 262.357 0.822 10 0 CCAELP C[NH+](C)C[C@@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)c1ccccc1 ZINC000245421305 352322041 /nfs/dbraw/zinc/32/20/41/352322041.db2.gz CPGLCWDVNFQKCY-CABCVRRESA-N 2 2 291.395 0.736 10 0 CCAELP C[NH+](C)C[C@@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)c1ccccc1 ZINC000245421305 352322045 /nfs/dbraw/zinc/32/20/45/352322045.db2.gz CPGLCWDVNFQKCY-CABCVRRESA-N 2 2 291.395 0.736 10 0 CCAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC000245676191 352333129 /nfs/dbraw/zinc/33/31/29/352333129.db2.gz HOZGNZULONNJQJ-NEPJUHHUSA-N 2 2 262.357 0.971 10 0 CCAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC000245676191 352333131 /nfs/dbraw/zinc/33/31/31/352333131.db2.gz HOZGNZULONNJQJ-NEPJUHHUSA-N 2 2 262.357 0.971 10 0 CCAELP CN(CC1CC[NH+](C)CC1)C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000336469854 213338460 /nfs/dbraw/zinc/33/84/60/213338460.db2.gz UMDNDWUDVWNYFP-NSHDSACASA-N 2 2 275.343 0.784 10 0 CCAELP CN(C[C@@H]1CCc2[nH+]ccn2C1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000328623153 354240011 /nfs/dbraw/zinc/24/00/11/354240011.db2.gz IYFVVQYTPPMZQJ-STQMWFEESA-N 2 2 292.383 0.235 10 0 CCAELP CN(C[C@@H]1CCc2[nH+]ccn2C1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000328623153 354240014 /nfs/dbraw/zinc/24/00/14/354240014.db2.gz IYFVVQYTPPMZQJ-STQMWFEESA-N 2 2 292.383 0.235 10 0 CCAELP O=C(NCC1([NH+]2CCOCC2)CC1)N[C@H]1CCCC[NH2+]C1 ZINC000333745185 354787289 /nfs/dbraw/zinc/78/72/89/354787289.db2.gz JITXDGYRVCFSIL-ZDUSSCGKSA-N 2 2 296.415 0.293 10 0 CCAELP C[C@@H]1CC[NH2+]C[C@@H]1Nc1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000333926562 354816846 /nfs/dbraw/zinc/81/68/46/354816846.db2.gz VNKPVFSSGFOOMR-AGIUHOORSA-N 2 2 291.399 0.848 10 0 CCAELP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)cc2)C1 ZINC000394217582 357755778 /nfs/dbraw/zinc/75/57/78/357755778.db2.gz IWFIQNVIALHKOZ-LBPRGKRZSA-N 2 2 283.397 0.518 10 0 CCAELP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)cc2)C1 ZINC000394217582 357755779 /nfs/dbraw/zinc/75/57/79/357755779.db2.gz IWFIQNVIALHKOZ-LBPRGKRZSA-N 2 2 283.397 0.518 10 0 CCAELP C[N@H+](CC1(CS(C)(=O)=O)CC1)[C@@H]1CCC[NH2+]CC1 ZINC000563150737 291199623 /nfs/dbraw/zinc/19/96/23/291199623.db2.gz XGNDCARGFKUAOL-GFCCVEGCSA-N 2 2 274.430 0.885 10 0 CCAELP C[N@@H+](CC1(CS(C)(=O)=O)CC1)[C@@H]1CCC[NH2+]CC1 ZINC000563150737 291199625 /nfs/dbraw/zinc/19/96/25/291199625.db2.gz XGNDCARGFKUAOL-GFCCVEGCSA-N 2 2 274.430 0.885 10 0 CCAELP CO[C@@H]1C[N@H+](CCO[C@H]2CC2(F)F)[C@@](C)(C[NH3+])C1 ZINC000630362919 370064355 /nfs/dbraw/zinc/06/43/55/370064355.db2.gz ALDLYHBZZNFJAA-GARJFASQSA-N 2 2 264.316 0.849 10 0 CCAELP CO[C@@H]1C[N@@H+](CCO[C@H]2CC2(F)F)[C@@](C)(C[NH3+])C1 ZINC000630362919 370064358 /nfs/dbraw/zinc/06/43/58/370064358.db2.gz ALDLYHBZZNFJAA-GARJFASQSA-N 2 2 264.316 0.849 10 0 CCAELP CO[C@@H]1C[C@@H](CO)[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000314120521 389117137 /nfs/dbraw/zinc/11/71/37/389117137.db2.gz DIXSZULZSLYTBN-QWHCGFSZSA-N 2 2 253.346 0.434 10 0 CCAELP CO[C@@H]1C[C@@H](CO)[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000314120521 389117139 /nfs/dbraw/zinc/11/71/39/389117139.db2.gz DIXSZULZSLYTBN-QWHCGFSZSA-N 2 2 253.346 0.434 10 0 CCAELP CC[C@@H]1CN(CC[N@@H+]2CCO[C@H](C)C2)CC[NH+]1C[C@H](C)O ZINC000249023622 389252029 /nfs/dbraw/zinc/25/20/29/389252029.db2.gz KPDBDXCBCIOZLF-ARFHVFGLSA-N 2 2 299.459 0.484 10 0 CCAELP CC[C@@H]1CN(CC[N@H+]2CCO[C@H](C)C2)CC[NH+]1C[C@H](C)O ZINC000249023622 389252032 /nfs/dbraw/zinc/25/20/32/389252032.db2.gz KPDBDXCBCIOZLF-ARFHVFGLSA-N 2 2 299.459 0.484 10 0 CCAELP CC[C@@H]1CN(CC[NH+]2CCO[C@H](C)C2)CC[N@@H+]1C[C@H](C)O ZINC000249023622 389252034 /nfs/dbraw/zinc/25/20/34/389252034.db2.gz KPDBDXCBCIOZLF-ARFHVFGLSA-N 2 2 299.459 0.484 10 0 CCAELP CC[C@@H]1CN(CC[NH+]2CCO[C@H](C)C2)CC[N@H+]1C[C@H](C)O ZINC000249023622 389252037 /nfs/dbraw/zinc/25/20/37/389252037.db2.gz KPDBDXCBCIOZLF-ARFHVFGLSA-N 2 2 299.459 0.484 10 0 CCAELP C[NH+](C[C@H](O)C[N@@H+](C)C[C@H]1CCCO1)C[C@@H]1CCCO1 ZINC000245873947 389220021 /nfs/dbraw/zinc/22/00/21/389220021.db2.gz AIAWCDFHCMUPAS-QKDCVEJESA-N 2 2 286.416 0.569 10 0 CCAELP C[NH+](C[C@H](O)C[N@H+](C)C[C@H]1CCCO1)C[C@@H]1CCCO1 ZINC000245873947 389220026 /nfs/dbraw/zinc/22/00/26/389220026.db2.gz AIAWCDFHCMUPAS-QKDCVEJESA-N 2 2 286.416 0.569 10 0 CCAELP C[NH+](C[C@@H](O)C[N@H+](C)C[C@@H]1CCCO1)C[C@H]1CCCO1 ZINC000245873947 389220029 /nfs/dbraw/zinc/22/00/29/389220029.db2.gz AIAWCDFHCMUPAS-QKDCVEJESA-N 2 2 286.416 0.569 10 0 CCAELP C[NH+](C[C@@H](O)C[N@@H+](C)C[C@@H]1CCCO1)C[C@H]1CCCO1 ZINC000245873947 389220032 /nfs/dbraw/zinc/22/00/32/389220032.db2.gz AIAWCDFHCMUPAS-QKDCVEJESA-N 2 2 286.416 0.569 10 0 CCAELP CCOCC[N@@H+]1CCN(CCC[NH+]2CCOCC2)C[C@@H]1C ZINC000173679249 389507383 /nfs/dbraw/zinc/50/73/83/389507383.db2.gz NGGCQKCPVDRHKA-INIZCTEOSA-N 2 2 299.459 0.751 10 0 CCAELP CCOCC[N@H+]1CCN(CCC[NH+]2CCOCC2)C[C@@H]1C ZINC000173679249 389507385 /nfs/dbraw/zinc/50/73/85/389507385.db2.gz NGGCQKCPVDRHKA-INIZCTEOSA-N 2 2 299.459 0.751 10 0 CCAELP CCC[C@@H](C(=O)NCC[N@@H+]1CCOC(C)(C)C1)[NH+](C)C ZINC000179155540 389641960 /nfs/dbraw/zinc/64/19/60/389641960.db2.gz KYPMVFNLAOFOQZ-ZDUSSCGKSA-N 2 2 285.432 0.944 10 0 CCAELP CCC[C@@H](C(=O)NCC[N@H+]1CCOC(C)(C)C1)[NH+](C)C ZINC000179155540 389641965 /nfs/dbraw/zinc/64/19/65/389641965.db2.gz KYPMVFNLAOFOQZ-ZDUSSCGKSA-N 2 2 285.432 0.944 10 0 CCAELP Cc1cc(C[NH2+]C[C@H](O)C[NH+]2CCCCC2)n(C)n1 ZINC000417876884 389860224 /nfs/dbraw/zinc/86/02/24/389860224.db2.gz PKGSVHYOWKDBGM-AWEZNQCLSA-N 2 2 266.389 0.665 10 0 CCAELP CN1CCO[C@H](C[NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000091667768 135073428 /nfs/dbraw/zinc/07/34/28/135073428.db2.gz FDVTYUKNUCXYLD-OAHLLOKOSA-N 2 2 290.411 0.971 10 0 CCAELP [NH3+][C@@H](C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)c1ccccc1 ZINC000062976696 411686992 /nfs/dbraw/zinc/68/69/92/411686992.db2.gz YRCQHBZAGZLONQ-HUUCEWRRSA-N 2 2 289.379 0.620 10 0 CCAELP COc1ccc(CC(=O)N2CC[NH+](CCC[NH3+])CC2)cc1 ZINC000020181779 171045706 /nfs/dbraw/zinc/04/57/06/171045706.db2.gz ORCJUEVLYUYNOT-UHFFFAOYSA-N 2 2 291.395 0.731 10 0 CCAELP O=C(NCCn1cc[nH+]c1)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653105830 412220772 /nfs/dbraw/zinc/22/07/72/412220772.db2.gz LOWJUDDWLZMWLW-RKDXNWHRSA-N 2 2 276.262 0.397 10 0 CCAELP CC[NH2+]C1CC[NH+]([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000037536978 173256630 /nfs/dbraw/zinc/25/66/30/173256630.db2.gz NQODABWNYMTGQS-LBPRGKRZSA-N 2 2 269.389 0.308 10 0 CCAELP C[C@@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCC[N@H+](C)C1 ZINC000038083205 174092633 /nfs/dbraw/zinc/09/26/33/174092633.db2.gz LOOADOLYYVIIKE-FRRDWIJNSA-N 2 2 274.430 0.741 10 0 CCAELP C[C@@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCC[N@@H+](C)C1 ZINC000038083205 174092634 /nfs/dbraw/zinc/09/26/34/174092634.db2.gz LOOADOLYYVIIKE-FRRDWIJNSA-N 2 2 274.430 0.741 10 0 CCAELP O=C(N[C@@H]1C[C@H]2C[C@@H]1C[NH2+]2)c1ccc2[nH+]ccn2c1 ZINC000039073315 174162386 /nfs/dbraw/zinc/16/23/86/174162386.db2.gz FJFCUQGQWCMREA-IJLUTSLNSA-N 2 2 256.309 0.815 10 0 CCAELP [NH3+]CC1(C(=O)NCC[NH+]2CCOCC2)CCCCC1 ZINC000044753342 175245641 /nfs/dbraw/zinc/24/56/41/175245641.db2.gz JLTCFCLKAHBDNJ-UHFFFAOYSA-N 2 2 269.389 0.344 10 0 CCAELP COc1cc2c(c(C[NH2+]C[C@@H]3C[NH2+]C[C@@H]3O)c1)O[C@@H](C)C2 ZINC000262153475 544942103 /nfs/dbraw/zinc/94/21/03/544942103.db2.gz RNTLZIAXHLLIMG-ZBINZKHDSA-N 2 2 292.379 0.689 10 0 CCAELP C[C@H]1CN(C(=O)NCc2ccn3cc[nH+]c3c2)C[C@@H]1[NH3+] ZINC000333676290 545041698 /nfs/dbraw/zinc/04/16/98/545041698.db2.gz YZUNZQGAZKUBGA-JQWIXIFHSA-N 2 2 273.340 0.823 10 0 CCAELP C[C@@]1(F)C[NH2+]CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000336221964 279166631 /nfs/dbraw/zinc/16/66/31/279166631.db2.gz OVDPOIDTDAHYBA-PSASIEDQSA-N 2 2 265.279 0.144 10 0 CCAELP CC[C@H](C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)[NH+](C)C ZINC000162027831 280669474 /nfs/dbraw/zinc/66/94/74/280669474.db2.gz VMGXKQKYUFEMGI-CHWSQXEVSA-N 2 2 269.389 0.260 10 0 CCAELP [NH3+][C@@H]1CCC[C@@H](C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000220390149 295303911 /nfs/dbraw/zinc/30/39/11/295303911.db2.gz KDNKILZZDYTIKA-MGPQQGTHSA-N 2 2 281.400 0.437 10 0 CCAELP CC(C)n1nnnc1C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000582487601 329096899 /nfs/dbraw/zinc/09/68/99/329096899.db2.gz IUIPAQSALDCYFB-JTQLQIEISA-N 2 2 252.366 0.813 10 0 CCAELP C[NH2+]Cc1cc(C[N@H+](C)[C@H]2CCS(=O)(=O)C2)oc1C ZINC000052482775 522104428 /nfs/dbraw/zinc/10/44/28/522104428.db2.gz HFXQJOVPRKERLC-LBPRGKRZSA-N 2 2 286.397 0.926 10 0 CCAELP C[NH2+]Cc1cc(C[N@@H+](C)[C@H]2CCS(=O)(=O)C2)oc1C ZINC000052482775 522104433 /nfs/dbraw/zinc/10/44/33/522104433.db2.gz HFXQJOVPRKERLC-LBPRGKRZSA-N 2 2 286.397 0.926 10 0 CCAELP COCC[NH2+]C[C@H]1CCCN1c1cc[nH+]c(C)n1 ZINC000054937598 523943460 /nfs/dbraw/zinc/94/34/60/523943460.db2.gz KYMBVLKKRCZIIX-GFCCVEGCSA-N 2 2 250.346 0.990 10 0 CCAELP COC[C@@H]([NH3+])C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000262358170 536661834 /nfs/dbraw/zinc/66/18/34/536661834.db2.gz VERSZOZLKASSSJ-GFCCVEGCSA-N 2 2 289.339 0.166 10 0 CCAELP COc1ccc2nc(C[NH2+]C[C@@H]3C[NH2+]C[C@@H]3O)sc2c1 ZINC000263212651 537053508 /nfs/dbraw/zinc/05/35/08/537053508.db2.gz KKWNXCHHHGYESO-CABZTGNLSA-N 2 2 293.392 0.975 10 0 CCAELP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCO)CC2)CC[N@@H+]1C ZINC000398959564 581206452 /nfs/dbraw/zinc/20/64/52/581206452.db2.gz LJIPIARBAGSTOE-OCCSQVGLSA-N 3 2 255.406 0.515 10 0 CCAELP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCO)CC2)CC[N@H+]1C ZINC000398959564 581206461 /nfs/dbraw/zinc/20/64/61/581206461.db2.gz LJIPIARBAGSTOE-OCCSQVGLSA-N 3 2 255.406 0.515 10 0 CCAELP C[C@@H]1C[C@@H](NC2CC[NH+](CCO)CC2)CC[N@@H+]1C ZINC000398959564 581206464 /nfs/dbraw/zinc/20/64/64/581206464.db2.gz LJIPIARBAGSTOE-OCCSQVGLSA-N 2 2 255.406 0.515 10 0 CCAELP C[C@@H]1C[C@@H](NC2CC[NH+](CCO)CC2)CC[N@H+]1C ZINC000398959564 581206469 /nfs/dbraw/zinc/20/64/69/581206469.db2.gz LJIPIARBAGSTOE-OCCSQVGLSA-N 2 2 255.406 0.515 10 0 CCAELP C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000865190605 616196798 /nfs/dbraw/zinc/19/67/98/616196798.db2.gz BPNMQYQNMIQAAV-FRRDWIJNSA-N 2 2 278.356 0.528 10 0 CCAELP C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000865190605 616196799 /nfs/dbraw/zinc/19/67/99/616196799.db2.gz BPNMQYQNMIQAAV-FRRDWIJNSA-N 2 2 278.356 0.528 10 0 CCAELP C[N@H+](CCNC(=O)NC[C@@H]1C[NH+](C)CCO1)C1CCCC1 ZINC000104797899 349719195 /nfs/dbraw/zinc/71/91/95/349719195.db2.gz KDCCLFZGWOWZCA-CQSZACIVSA-N 2 2 298.431 0.491 10 0 CCAELP C[N@@H+](CCNC(=O)NC[C@@H]1C[NH+](C)CCO1)C1CCCC1 ZINC000104797899 349719198 /nfs/dbraw/zinc/71/91/98/349719198.db2.gz KDCCLFZGWOWZCA-CQSZACIVSA-N 2 2 298.431 0.491 10 0 CCAELP C[NH+](CCNC(=O)NC[C@@H]1C[N@H+](C)CCO1)C1CCCC1 ZINC000104797899 349719199 /nfs/dbraw/zinc/71/91/99/349719199.db2.gz KDCCLFZGWOWZCA-CQSZACIVSA-N 2 2 298.431 0.491 10 0 CCAELP C[NH+](CCNC(=O)NC[C@@H]1C[N@@H+](C)CCO1)C1CCCC1 ZINC000104797899 349719200 /nfs/dbraw/zinc/71/92/00/349719200.db2.gz KDCCLFZGWOWZCA-CQSZACIVSA-N 2 2 298.431 0.491 10 0 CCAELP C[C@@H](CNC(=O)NC[C@H]1CCC[N@H+](C)C1)[NH+]1CCOCC1 ZINC000108552154 349749978 /nfs/dbraw/zinc/74/99/78/349749978.db2.gz HCHIFPMCPVHYDK-UONOGXRCSA-N 2 2 298.431 0.348 10 0 CCAELP C[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+](C)C1)[NH+]1CCOCC1 ZINC000108552154 349749980 /nfs/dbraw/zinc/74/99/80/349749980.db2.gz HCHIFPMCPVHYDK-UONOGXRCSA-N 2 2 298.431 0.348 10 0 CCAELP OC[C@H]1CCCN(c2cc(N[C@@H]3CCC[NH2+]C3)nc[nH+]2)C1 ZINC000333123449 136385323 /nfs/dbraw/zinc/38/53/23/136385323.db2.gz AAPRGLZUOSSNDY-QWHCGFSZSA-N 2 2 291.399 0.849 10 0 CCAELP CCc1cc(N2CCC[C@H]([NH2+][C@H]3CC[NH2+]C3)C2)ncn1 ZINC000333221974 136385389 /nfs/dbraw/zinc/38/53/89/136385389.db2.gz ADOBROJXPYOTLI-KBPBESRZSA-N 2 2 275.400 0.959 10 0 CCAELP COCC[N@H+]1CCN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC000119523079 349940250 /nfs/dbraw/zinc/94/02/50/349940250.db2.gz DYXMQENAOHZVDG-OAHLLOKOSA-N 2 2 297.443 0.897 10 0 CCAELP CC1(C)C[N@H+](CC(=O)NC(=O)NC2CC2)CC[C@@H]1[NH3+] ZINC000261620983 137012604 /nfs/dbraw/zinc/01/26/04/137012604.db2.gz URUIEFDBBDEHRD-JTQLQIEISA-N 2 2 268.361 0.034 10 0 CCAELP CC1(C)C[N@@H+](CC(=O)NC(=O)NC2CC2)CC[C@@H]1[NH3+] ZINC000261620983 137012605 /nfs/dbraw/zinc/01/26/05/137012605.db2.gz URUIEFDBBDEHRD-JTQLQIEISA-N 2 2 268.361 0.034 10 0 CCAELP O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1cccc(-n2cc[nH+]c2)c1 ZINC000262363502 137040124 /nfs/dbraw/zinc/04/01/24/137040124.db2.gz VITQTJSPDVFTRL-OCCSQVGLSA-N 2 2 286.335 0.182 10 0 CCAELP COc1ccc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)c(OC)c1OC ZINC000263166069 137059755 /nfs/dbraw/zinc/05/97/55/137059755.db2.gz FEFMBVBWCLAZOM-RYUDHWBXSA-N 2 2 296.367 0.382 10 0 CCAELP Cc1nn2c(C[NH2+]C[C@@H]3C[NH2+]C[C@@H]3O)c(C)nc2s1 ZINC000263133354 137058776 /nfs/dbraw/zinc/05/87/76/137058776.db2.gz BVJITDXBEPOBGS-KOLCDFICSA-N 2 2 281.385 0.078 10 0 CCAELP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cccc2c1OCCCO2 ZINC000262199441 137030456 /nfs/dbraw/zinc/03/04/56/137030456.db2.gz ZYAOEOQSSUVKHA-CHWSQXEVSA-N 2 2 278.352 0.518 10 0 CCAELP COc1cc2c(cc1C[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O)OCO2 ZINC000263212695 137060350 /nfs/dbraw/zinc/06/03/50/137060350.db2.gz KLVSZONAVPUJLS-MNOVXSKESA-N 2 2 280.324 0.094 10 0 CCAELP CC(C)[N@H+](C)CC(=O)NC[C@H]1C[NH+](C2CC2)CCO1 ZINC000127120909 350162440 /nfs/dbraw/zinc/16/24/40/350162440.db2.gz VMAIMHRHGXWZRC-ZDUSSCGKSA-N 2 2 269.389 0.306 10 0 CCAELP CC(C)[N@@H+](C)CC(=O)NC[C@H]1C[NH+](C2CC2)CCO1 ZINC000127120909 350162442 /nfs/dbraw/zinc/16/24/42/350162442.db2.gz VMAIMHRHGXWZRC-ZDUSSCGKSA-N 2 2 269.389 0.306 10 0 CCAELP CC(C)[NH+](C)CC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000127120909 350162446 /nfs/dbraw/zinc/16/24/46/350162446.db2.gz VMAIMHRHGXWZRC-ZDUSSCGKSA-N 2 2 269.389 0.306 10 0 CCAELP CC(C)[NH+](C)CC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000127120909 350162450 /nfs/dbraw/zinc/16/24/50/350162450.db2.gz VMAIMHRHGXWZRC-ZDUSSCGKSA-N 2 2 269.389 0.306 10 0 CCAELP C[C@@H](CNC(=O)N1CCC[C@H]([NH+](C)C)C1)[NH+]1CCOCC1 ZINC000105124302 186043013 /nfs/dbraw/zinc/04/30/13/186043013.db2.gz NEQXRXQNGCBVNW-KBPBESRZSA-N 2 2 298.431 0.443 10 0 CCAELP COc1c(N)[nH+]cnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000134920813 350379515 /nfs/dbraw/zinc/37/95/15/350379515.db2.gz MFHJBUHMTIODIU-SNVBAGLBSA-N 2 2 263.345 0.742 10 0 CCAELP COc1c(N)[nH+]cnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000134920813 350379516 /nfs/dbraw/zinc/37/95/16/350379516.db2.gz MFHJBUHMTIODIU-SNVBAGLBSA-N 2 2 263.345 0.742 10 0 CCAELP CCC[N@H+](CC)CCNC(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000175467183 351130906 /nfs/dbraw/zinc/13/09/06/351130906.db2.gz OEYLJKSKPYOBIF-CYBMUJFWSA-N 2 2 286.420 0.348 10 0 CCAELP CCC[N@@H+](CC)CCNC(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000175467183 351130907 /nfs/dbraw/zinc/13/09/07/351130907.db2.gz OEYLJKSKPYOBIF-CYBMUJFWSA-N 2 2 286.420 0.348 10 0 CCAELP CCC[NH+](CC)CCNC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000175467183 351130908 /nfs/dbraw/zinc/13/09/08/351130908.db2.gz OEYLJKSKPYOBIF-CYBMUJFWSA-N 2 2 286.420 0.348 10 0 CCAELP CCC[NH+](CC)CCNC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000175467183 351130909 /nfs/dbraw/zinc/13/09/09/351130909.db2.gz OEYLJKSKPYOBIF-CYBMUJFWSA-N 2 2 286.420 0.348 10 0 CCAELP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000188764702 351626620 /nfs/dbraw/zinc/62/66/20/351626620.db2.gz HRTMXZMBJSXAFI-LLVKDONJSA-N 2 2 291.399 0.612 10 0 CCAELP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000188764702 351626624 /nfs/dbraw/zinc/62/66/24/351626624.db2.gz HRTMXZMBJSXAFI-LLVKDONJSA-N 2 2 291.399 0.612 10 0 CCAELP O=C(c1n[nH]c2c1C[NH2+]CC2)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000188802521 351630205 /nfs/dbraw/zinc/63/02/05/351630205.db2.gz LLCBRJVOGNJQGU-SNVBAGLBSA-N 2 2 289.383 0.412 10 0 CCAELP C[N@H+]1C[C@@H]2C[NH+](Cc3cc(=O)n4ccsc4n3)C[C@@H]2C1 ZINC000193636934 351838368 /nfs/dbraw/zinc/83/83/68/351838368.db2.gz FAVWPVPBVMRLEX-PHIMTYICSA-N 2 2 290.392 0.749 10 0 CCAELP C[N@@H+]1C[C@@H]2C[NH+](Cc3cc(=O)n4ccsc4n3)C[C@@H]2C1 ZINC000193636934 351838371 /nfs/dbraw/zinc/83/83/71/351838371.db2.gz FAVWPVPBVMRLEX-PHIMTYICSA-N 2 2 290.392 0.749 10 0 CCAELP C[NH+]1C[C@@H]2C[N@@H+](Cc3cc(=O)n4ccsc4n3)C[C@@H]2C1 ZINC000193636934 351838373 /nfs/dbraw/zinc/83/83/73/351838373.db2.gz FAVWPVPBVMRLEX-PHIMTYICSA-N 2 2 290.392 0.749 10 0 CCAELP C[NH+]1C[C@@H]2C[N@H+](Cc3cc(=O)n4ccsc4n3)C[C@@H]2C1 ZINC000193636934 351838376 /nfs/dbraw/zinc/83/83/76/351838376.db2.gz FAVWPVPBVMRLEX-PHIMTYICSA-N 2 2 290.392 0.749 10 0 CCAELP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1COCC[NH2+]1 ZINC000237520095 352270127 /nfs/dbraw/zinc/27/01/27/352270127.db2.gz SNWZDSBVQZVDKD-CRWXNKLISA-N 2 2 283.416 0.457 10 0 CCAELP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1COCC[NH2+]1 ZINC000237520095 352270129 /nfs/dbraw/zinc/27/01/29/352270129.db2.gz SNWZDSBVQZVDKD-CRWXNKLISA-N 2 2 283.416 0.457 10 0 CCAELP CC[C@H](C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1)[NH+](C)C ZINC000247078494 352398032 /nfs/dbraw/zinc/39/80/32/352398032.db2.gz QQIGDTZBSIYAGU-MJBXVCDLSA-N 2 2 283.416 0.506 10 0 CCAELP CCOC(=O)c1ccc(N2CC[N@H+](C)C[C@H]2C[NH3+])nc1 ZINC000250485762 352505334 /nfs/dbraw/zinc/50/53/34/352505334.db2.gz GZDXNVJQCPYUID-GFCCVEGCSA-N 2 2 278.356 0.337 10 0 CCAELP CCOC(=O)c1ccc(N2CC[N@@H+](C)C[C@H]2C[NH3+])nc1 ZINC000250485762 352505336 /nfs/dbraw/zinc/50/53/36/352505336.db2.gz GZDXNVJQCPYUID-GFCCVEGCSA-N 2 2 278.356 0.337 10 0 CCAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cn(C)nn1 ZINC000328599587 354233407 /nfs/dbraw/zinc/23/34/07/354233407.db2.gz CFNNXNRSHJCTFQ-CYBMUJFWSA-N 2 2 260.345 0.985 10 0 CCAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cn(C)nn1 ZINC000328599587 354233411 /nfs/dbraw/zinc/23/34/11/354233411.db2.gz CFNNXNRSHJCTFQ-CYBMUJFWSA-N 2 2 260.345 0.985 10 0 CCAELP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000333860728 354806809 /nfs/dbraw/zinc/80/68/09/354806809.db2.gz RZIRCSHRGKKWHF-XJFOESAGSA-N 2 2 296.415 0.099 10 0 CCAELP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000333860728 354806813 /nfs/dbraw/zinc/80/68/13/354806813.db2.gz RZIRCSHRGKKWHF-XJFOESAGSA-N 2 2 296.415 0.099 10 0 CCAELP OCC[N@@H+]1CCC[C@H]([NH2+]Cc2cccc(O)c2)C1 ZINC000384364507 357720186 /nfs/dbraw/zinc/72/01/86/357720186.db2.gz IJNNINPUWGWUKS-ZDUSSCGKSA-N 2 2 250.342 0.939 10 0 CCAELP OCC[N@H+]1CCC[C@H]([NH2+]Cc2cccc(O)c2)C1 ZINC000384364507 357720190 /nfs/dbraw/zinc/72/01/90/357720190.db2.gz IJNNINPUWGWUKS-ZDUSSCGKSA-N 2 2 250.342 0.939 10 0 CCAELP Cc1nc(C[NH2+]C2CC[NH+](CCO)CC2)cs1 ZINC000399129986 357781949 /nfs/dbraw/zinc/78/19/49/357781949.db2.gz MWXPDPHRGJFDRP-UHFFFAOYSA-N 2 2 255.387 0.998 10 0 CCAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCCC(=O)NC(N)=O ZINC000178324386 189107541 /nfs/dbraw/zinc/10/75/41/189107541.db2.gz DGURWXAVTRKRGS-GFCCVEGCSA-N 2 2 293.371 0.631 10 0 CCAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCCC(=O)NC(N)=O ZINC000178324386 189107542 /nfs/dbraw/zinc/10/75/42/189107542.db2.gz DGURWXAVTRKRGS-GFCCVEGCSA-N 2 2 293.371 0.631 10 0 CCAELP CC[N@@H+]1CC[C@H](NC(=O)N2CCn3cc[nH+]c3C2)C1 ZINC000334116923 206024450 /nfs/dbraw/zinc/02/44/50/206024450.db2.gz HWJPAWRPCYSAJT-NSHDSACASA-N 2 2 263.345 0.503 10 0 CCAELP CC[N@H+]1CC[C@H](NC(=O)N2CCn3cc[nH+]c3C2)C1 ZINC000334116923 206024455 /nfs/dbraw/zinc/02/44/55/206024455.db2.gz HWJPAWRPCYSAJT-NSHDSACASA-N 2 2 263.345 0.503 10 0 CCAELP CC(C)CC[C@H]([NH3+])C(=O)N1CCn2cc[nH+]c2C1 ZINC000638096752 374658508 /nfs/dbraw/zinc/65/85/08/374658508.db2.gz LHHNVLJFMXHXSP-NSHDSACASA-N 2 2 250.346 0.989 10 0 CCAELP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H](C)[NH+]2CCOCC2)C1 ZINC000249750710 285267543 /nfs/dbraw/zinc/26/75/43/285267543.db2.gz CKCWNQNSUNICSP-KBPBESRZSA-N 2 2 298.431 0.491 10 0 CCAELP CC[N@H+]1CCC[C@H](NC(=O)NC[C@H](C)[NH+]2CCOCC2)C1 ZINC000249750710 285267545 /nfs/dbraw/zinc/26/75/45/285267545.db2.gz CKCWNQNSUNICSP-KBPBESRZSA-N 2 2 298.431 0.491 10 0 CCAELP C=Cn1cc(C[NH2+]C[C@@H](O)C[NH+]2CCCCC2)cn1 ZINC000194256071 389091618 /nfs/dbraw/zinc/09/16/18/389091618.db2.gz XUZIGAZQDWCLNR-CQSZACIVSA-N 2 2 264.373 0.920 10 0 CCAELP c1cn(CC[N@@H+]2CC[C@H](N3CCOCC3)C2)c[nH+]1 ZINC000162040288 389413371 /nfs/dbraw/zinc/41/33/71/389413371.db2.gz VOZLDAGJQSJHRA-ZDUSSCGKSA-N 2 2 250.346 0.290 10 0 CCAELP c1cn(CC[N@H+]2CC[C@H](N3CCOCC3)C2)c[nH+]1 ZINC000162040288 389413374 /nfs/dbraw/zinc/41/33/74/389413374.db2.gz VOZLDAGJQSJHRA-ZDUSSCGKSA-N 2 2 250.346 0.290 10 0 CCAELP C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000333671488 389439301 /nfs/dbraw/zinc/43/93/01/389439301.db2.gz NCSGHHQDTWMZLJ-ZIAGYGMSSA-N 2 2 296.415 0.101 10 0 CCAELP C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000333671488 389439304 /nfs/dbraw/zinc/43/93/04/389439304.db2.gz NCSGHHQDTWMZLJ-ZIAGYGMSSA-N 2 2 296.415 0.101 10 0 CCAELP C[N@@H+]1CCO[C@@H]2CCN(c3cc(NC4CC4)[nH+]cn3)C[C@H]21 ZINC000334022897 389452460 /nfs/dbraw/zinc/45/24/60/389452460.db2.gz DVCYMPPKJWQJQX-CHWSQXEVSA-N 2 2 289.383 0.960 10 0 CCAELP C[N@H+]1CCO[C@@H]2CCN(c3cc(NC4CC4)[nH+]cn3)C[C@H]21 ZINC000334022897 389452462 /nfs/dbraw/zinc/45/24/62/389452462.db2.gz DVCYMPPKJWQJQX-CHWSQXEVSA-N 2 2 289.383 0.960 10 0 CCAELP C[C@@H](O)C[N@@H+]1CCN(CCCn2cc[nH+]c2)C[C@H]1C ZINC000183175262 389726880 /nfs/dbraw/zinc/72/68/80/389726880.db2.gz CZALNTSNMBGUIA-ZIAGYGMSSA-N 2 2 266.389 0.660 10 0 CCAELP C[C@@H](O)C[N@H+]1CCN(CCCn2cc[nH+]c2)C[C@H]1C ZINC000183175262 389726884 /nfs/dbraw/zinc/72/68/84/389726884.db2.gz CZALNTSNMBGUIA-ZIAGYGMSSA-N 2 2 266.389 0.660 10 0 CCAELP C[C@H](C[NH2+]C[C@H](O)C(C)(C)C)C[NH+]1CCOCC1 ZINC000644571871 390256281 /nfs/dbraw/zinc/25/62/81/390256281.db2.gz CGURAFXOCZBZBR-OLZOCXBDSA-N 2 2 258.406 0.951 10 0 CCAELP O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000262068433 143935478 /nfs/dbraw/zinc/93/54/78/143935478.db2.gz BKPIADHUKAPMDX-JSGCOSHPSA-N 2 2 286.335 0.182 10 0 CCAELP CN(C)c1nc[nH+]c(NCCCn2cc[nH+]c2)c1N ZINC000040723650 174385875 /nfs/dbraw/zinc/38/58/75/174385875.db2.gz WSFPNVXKWMPTGR-UHFFFAOYSA-N 2 2 261.333 0.824 10 0 CCAELP CN(C)c1[nH+]cnc(NCCCn2cc[nH+]c2)c1N ZINC000040723650 174385876 /nfs/dbraw/zinc/38/58/76/174385876.db2.gz WSFPNVXKWMPTGR-UHFFFAOYSA-N 2 2 261.333 0.824 10 0 CCAELP O=C([C@@H]1OCC[C@@H]1Cn1cc[nH+]c1)N1CCC[NH2+]CC1 ZINC000662396529 414714034 /nfs/dbraw/zinc/71/40/34/414714034.db2.gz XDOVYYCXZVQYEV-CHWSQXEVSA-N 2 2 278.356 0.110 10 0 CCAELP COCC[N@H+](CCC[NH3+])[C@H](C)C(=O)NCC(C)C ZINC000071224753 176088803 /nfs/dbraw/zinc/08/88/03/176088803.db2.gz YXUFTCTUNFPWQU-GFCCVEGCSA-N 2 2 259.394 0.444 10 0 CCAELP COCC[N@@H+](CCC[NH3+])[C@H](C)C(=O)NCC(C)C ZINC000071224753 176088805 /nfs/dbraw/zinc/08/88/05/176088805.db2.gz YXUFTCTUNFPWQU-GFCCVEGCSA-N 2 2 259.394 0.444 10 0 CCAELP C[C@@H](Cn1cc[nH+]c1)NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054291584 544443238 /nfs/dbraw/zinc/44/32/38/544443238.db2.gz WDOYTJNHNABSMP-RYUDHWBXSA-N 2 2 250.346 0.778 10 0 CCAELP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089451287 544513178 /nfs/dbraw/zinc/51/31/78/544513178.db2.gz KXOHROAZXTUQMW-UTUOFQBUSA-N 2 2 250.346 0.763 10 0 CCAELP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CC[NH+](C)CC1)C2 ZINC000220577785 544815059 /nfs/dbraw/zinc/81/50/59/544815059.db2.gz KGVKHKASENZWHO-NSHDSACASA-N 2 2 262.357 0.597 10 0 CCAELP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CC[NH+](C)CC1)CC2 ZINC000220577785 544815062 /nfs/dbraw/zinc/81/50/62/544815062.db2.gz KGVKHKASENZWHO-NSHDSACASA-N 2 2 262.357 0.597 10 0 CCAELP O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000262068438 544937878 /nfs/dbraw/zinc/93/78/78/544937878.db2.gz BKPIADHUKAPMDX-TZMCWYRMSA-N 2 2 286.335 0.182 10 0 CCAELP O=C([C@@H]1CCCC[NH2+]1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000062976777 280082061 /nfs/dbraw/zinc/08/20/61/280082061.db2.gz CYPXHMUVLKQAPZ-OLZOCXBDSA-N 2 2 267.373 0.062 10 0 CCAELP CC[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CC[NH2+]CC2)CCO1 ZINC000038043186 281141419 /nfs/dbraw/zinc/14/14/19/281141419.db2.gz HXZLYRASXHGGIB-GJZGRUSLSA-N 2 2 295.427 0.840 10 0 CCAELP CC[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CC[NH2+]CC2)CCO1 ZINC000038043186 281141420 /nfs/dbraw/zinc/14/14/20/281141420.db2.gz HXZLYRASXHGGIB-GJZGRUSLSA-N 2 2 295.427 0.840 10 0 CCAELP CCC[NH2+][C@H](CC[N@@H+]1CCO[C@H](CC)C1)C(N)=O ZINC000062448666 520077638 /nfs/dbraw/zinc/07/76/38/520077638.db2.gz OUHPMMPYCVNWOE-VXGBXAGGSA-N 2 2 257.378 0.341 10 0 CCAELP CCC[NH2+][C@H](CC[N@H+]1CCO[C@H](CC)C1)C(N)=O ZINC000062448666 520077645 /nfs/dbraw/zinc/07/76/45/520077645.db2.gz OUHPMMPYCVNWOE-VXGBXAGGSA-N 2 2 257.378 0.341 10 0 CCAELP C[NH+](C)C[C@@H]1CCCN1C(=O)c1cccc(NN)[nH+]1 ZINC000061656126 521834132 /nfs/dbraw/zinc/83/41/32/521834132.db2.gz AJULZCNZFUOTBB-JTQLQIEISA-N 2 2 263.345 0.533 10 0 CCAELP CC[C@@H](C)[C@H](C[NH3+])[NH+]1CCN(CC[NH+](C)C)CC1 ZINC000061643119 522363531 /nfs/dbraw/zinc/36/35/31/522363531.db2.gz GHVAXYOMYSZWGN-KGLIPLIRSA-N 3 2 256.438 0.539 10 0 CCAELP CN(CC[NH2+]C[C@@H]1CCOC1)Cc1[nH+]ccn1C ZINC000062327603 522868415 /nfs/dbraw/zinc/86/84/15/522868415.db2.gz VXWMJAFAEHBZFX-LBPRGKRZSA-N 2 2 252.362 0.478 10 0 CCAELP C[C@@H](CC[NH+](C)C)[NH2+][C@@H]1CC(=O)N(C2CC2)C1=O ZINC000049554926 524479371 /nfs/dbraw/zinc/47/93/71/524479371.db2.gz BUXIMGVRQAALFA-GXSJLCMTSA-N 2 2 253.346 0.206 10 0 CCAELP C[C@@H](C[NH+]1CCCC1)[NH2+]C[C@H](O)Cn1cccn1 ZINC000049163980 524592012 /nfs/dbraw/zinc/59/20/12/524592012.db2.gz FHBDVEBCTALDCQ-STQMWFEESA-N 2 2 252.362 0.318 10 0 CCAELP C[C@@H](CN1CCOCC1)[NH2+]CCCn1cc[nH+]c1 ZINC000049504516 524627847 /nfs/dbraw/zinc/62/78/47/524627847.db2.gz YSYATUKNIPFBKY-ZDUSSCGKSA-N 2 2 252.362 0.584 10 0 CCAELP [NH3+]C[C@@H]1CCC[C@@H](C(=O)NCC[NH+]2CCOCC2)C1 ZINC000055145796 527213869 /nfs/dbraw/zinc/21/38/69/527213869.db2.gz RICWUZLFEHYQOM-CHWSQXEVSA-N 2 2 269.389 0.200 10 0 CCAELP O=C(NC1CCN(c2cccc[nH+]2)CC1)C1C[NH2+]C1 ZINC000091406993 349461927 /nfs/dbraw/zinc/46/19/27/349461927.db2.gz PPVNHFJEAHZXJM-UHFFFAOYSA-N 2 2 260.341 0.386 10 0 CCAELP [NH3+][C@H]1CC[C@@H](C(=O)NCCCCn2cc[nH+]c2)C1 ZINC000091547678 349467133 /nfs/dbraw/zinc/46/71/33/349467133.db2.gz LIKCEPZPGKXSOD-NEPJUHHUSA-N 2 2 250.346 0.907 10 0 CCAELP [NH3+][C@@H]1CC[C@@H](C(=O)NCCCCn2cc[nH+]c2)C1 ZINC000091547681 349467450 /nfs/dbraw/zinc/46/74/50/349467450.db2.gz LIKCEPZPGKXSOD-VXGBXAGGSA-N 2 2 250.346 0.907 10 0 CCAELP CC(C)[N@H+](C)CCNC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000101980915 349673281 /nfs/dbraw/zinc/67/32/81/349673281.db2.gz JSWRAUVCLZHAAK-ZDUSSCGKSA-N 2 2 286.420 0.347 10 0 CCAELP CC(C)[N@@H+](C)CCNC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000101980915 349673286 /nfs/dbraw/zinc/67/32/86/349673286.db2.gz JSWRAUVCLZHAAK-ZDUSSCGKSA-N 2 2 286.420 0.347 10 0 CCAELP C[C@H](NC(=O)N1CC[C@H]([NH+](C)C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000105302718 299125550 /nfs/dbraw/zinc/12/55/50/299125550.db2.gz MDOBVMIBUANKTR-IHRRRGAJSA-N 2 2 298.431 0.441 10 0 CCAELP C[C@@H](CNC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2)[NH+]1CCOCC1 ZINC000262455846 137043723 /nfs/dbraw/zinc/04/37/23/137043723.db2.gz WKRZBZCYKIFWMF-OFQRWUPVSA-N 2 2 295.427 0.603 10 0 CCAELP C[C@H](CNC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2)[NH+]1CCOCC1 ZINC000262455845 137043754 /nfs/dbraw/zinc/04/37/54/137043754.db2.gz WKRZBZCYKIFWMF-IJEWVQPXSA-N 2 2 295.427 0.603 10 0 CCAELP C[C@H](CNC(=O)C[C@@H]1CCC[C@H]1[NH3+])[NH+]1CCOCC1 ZINC000261765209 137018703 /nfs/dbraw/zinc/01/87/03/137018703.db2.gz NXPJWFNGERAQDK-FRRDWIJNSA-N 2 2 269.389 0.341 10 0 CCAELP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)CC1 ZINC000261833441 137022043 /nfs/dbraw/zinc/02/20/43/137022043.db2.gz YYWBMXPAXYCQMQ-CQSZACIVSA-N 3 2 296.459 0.646 10 0 CCAELP COc1cccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)c1OC ZINC000262163347 137028746 /nfs/dbraw/zinc/02/87/46/137028746.db2.gz TUDCPPLRYVEVHM-VXGBXAGGSA-N 2 2 266.341 0.374 10 0 CCAELP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000120519287 349990038 /nfs/dbraw/zinc/99/00/38/349990038.db2.gz PSQRGWNAIUFZSU-MCIONIFRSA-N 2 2 298.431 0.299 10 0 CCAELP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000120519287 349990043 /nfs/dbraw/zinc/99/00/43/349990043.db2.gz PSQRGWNAIUFZSU-MCIONIFRSA-N 2 2 298.431 0.299 10 0 CCAELP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000120519287 349990044 /nfs/dbraw/zinc/99/00/44/349990044.db2.gz PSQRGWNAIUFZSU-MCIONIFRSA-N 2 2 298.431 0.299 10 0 CCAELP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000120519287 349990048 /nfs/dbraw/zinc/99/00/48/349990048.db2.gz PSQRGWNAIUFZSU-MCIONIFRSA-N 2 2 298.431 0.299 10 0 CCAELP COCC[NH+]=C1Nc2ccccc2CN[C@]12CC[NH2+]C2 ZINC000065265844 348708534 /nfs/dbraw/zinc/70/85/34/348708534.db2.gz YISIKURUICYLTD-HNNXBMFYSA-N 2 2 274.368 0.788 10 0 CCAELP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1C[NH+](C2CC2)CCO1 ZINC000127303178 350166536 /nfs/dbraw/zinc/16/65/36/350166536.db2.gz NCXZDIIAXGVVLF-CABCVRRESA-N 2 2 295.427 0.840 10 0 CCAELP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1C[NH+](C2CC2)CCO1 ZINC000127303178 350166537 /nfs/dbraw/zinc/16/65/37/350166537.db2.gz NCXZDIIAXGVVLF-CABCVRRESA-N 2 2 295.427 0.840 10 0 CCAELP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000127303178 350166539 /nfs/dbraw/zinc/16/65/39/350166539.db2.gz NCXZDIIAXGVVLF-CABCVRRESA-N 2 2 295.427 0.840 10 0 CCAELP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000127303178 350166541 /nfs/dbraw/zinc/16/65/41/350166541.db2.gz NCXZDIIAXGVVLF-CABCVRRESA-N 2 2 295.427 0.840 10 0 CCAELP CCCc1c[nH+]c(C)nc1N1C[C@H]([NH3+])C[C@H]1C(=O)NC ZINC000091504123 180175104 /nfs/dbraw/zinc/17/51/04/180175104.db2.gz LEQXFCYANCCMNW-NEPJUHHUSA-N 2 2 277.372 0.390 10 0 CCAELP COc1c(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c(C)nn1C ZINC000134406206 350363908 /nfs/dbraw/zinc/36/39/08/350363908.db2.gz SBBGHMMNHGYLQD-CHWSQXEVSA-N 2 2 294.399 0.690 10 0 CCAELP COc1c(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c(C)nn1C ZINC000134406206 350363911 /nfs/dbraw/zinc/36/39/11/350363911.db2.gz SBBGHMMNHGYLQD-CHWSQXEVSA-N 2 2 294.399 0.690 10 0 CCAELP C[C@@H](CNC(=O)CC1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000164913215 350784333 /nfs/dbraw/zinc/78/43/33/350784333.db2.gz RZUBYTBLOJYORU-LBPRGKRZSA-N 2 2 269.389 0.213 10 0 CCAELP C[N@H+](CCOCCO)C1CC[NH+](CCn2cccn2)CC1 ZINC000172624552 351000747 /nfs/dbraw/zinc/00/07/47/351000747.db2.gz PCKBNTJFHAXDJC-UHFFFAOYSA-N 2 2 296.415 0.288 10 0 CCAELP C[N@@H+](CCOCCO)C1CC[NH+](CCn2cccn2)CC1 ZINC000172624552 351000749 /nfs/dbraw/zinc/00/07/49/351000749.db2.gz PCKBNTJFHAXDJC-UHFFFAOYSA-N 2 2 296.415 0.288 10 0 CCAELP CC(C)[NH+]1CCC(C(=O)NC[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000174590903 351094298 /nfs/dbraw/zinc/09/42/98/351094298.db2.gz XAZUETOXRVTHNW-CQSZACIVSA-N 2 2 297.443 0.944 10 0 CCAELP CC(C)[NH2+]CC[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000191403144 351757075 /nfs/dbraw/zinc/75/70/75/351757075.db2.gz YPBOSULBTKSCEB-CQSZACIVSA-N 2 2 283.416 0.555 10 0 CCAELP CC(C)[NH2+]CC[N@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000191403144 351757077 /nfs/dbraw/zinc/75/70/77/351757077.db2.gz YPBOSULBTKSCEB-CQSZACIVSA-N 2 2 283.416 0.555 10 0 CCAELP C[C@@H](C(=O)N1CCCCC1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193620629 351836275 /nfs/dbraw/zinc/83/62/75/351836275.db2.gz RDAJBNPXNPLOEC-MELADBBJSA-N 2 2 265.401 0.881 10 0 CCAELP C[C@@H](C(=O)N1CCCCC1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193620629 351836278 /nfs/dbraw/zinc/83/62/78/351836278.db2.gz RDAJBNPXNPLOEC-MELADBBJSA-N 2 2 265.401 0.881 10 0 CCAELP C[C@@H](C(=O)N1CCCCC1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193620629 351836281 /nfs/dbraw/zinc/83/62/81/351836281.db2.gz RDAJBNPXNPLOEC-MELADBBJSA-N 2 2 265.401 0.881 10 0 CCAELP C[C@@H](C(=O)N1CCCCC1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193620629 351836286 /nfs/dbraw/zinc/83/62/86/351836286.db2.gz RDAJBNPXNPLOEC-MELADBBJSA-N 2 2 265.401 0.881 10 0 CCAELP CC(=O)NCCC[NH+]1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000195028597 351893653 /nfs/dbraw/zinc/89/36/53/351893653.db2.gz FOXIKLJWTFYBDN-ZDUSSCGKSA-N 2 2 283.416 0.698 10 0 CCAELP CC(=O)NCCC[NH+]1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000195028597 351893659 /nfs/dbraw/zinc/89/36/59/351893659.db2.gz FOXIKLJWTFYBDN-ZDUSSCGKSA-N 2 2 283.416 0.698 10 0 CCAELP CCC(CC)[C@H](CNC(=O)[C@@H]1COCC[NH2+]1)[NH+]1CCCC1 ZINC000236690897 352205945 /nfs/dbraw/zinc/20/59/45/352205945.db2.gz DCJXQQLLJBBPSA-GJZGRUSLSA-N 2 2 297.443 0.992 10 0 CCAELP C[C@H](C(=O)NC[C@H]1C[NH+](C)CCO1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000245203152 352316541 /nfs/dbraw/zinc/31/65/41/352316541.db2.gz ZWIUEGHAVAOUJN-RQJABVFESA-N 2 2 283.416 0.695 10 0 CCAELP C[C@H](C(=O)NC[C@H]1C[NH+](C)CCO1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000245203152 352316543 /nfs/dbraw/zinc/31/65/43/352316543.db2.gz ZWIUEGHAVAOUJN-RQJABVFESA-N 2 2 283.416 0.695 10 0 CCAELP C[C@H](C(=O)NC[C@H]1C[N@H+](C)CCO1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000245203152 352316546 /nfs/dbraw/zinc/31/65/46/352316546.db2.gz ZWIUEGHAVAOUJN-RQJABVFESA-N 2 2 283.416 0.695 10 0 CCAELP C[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)NC[C@@H]1C[NH+](C)CCO1)CC2 ZINC000246410420 352365427 /nfs/dbraw/zinc/36/54/27/352365427.db2.gz RZPZWTJKORSGEH-HZSPNIEDSA-N 2 2 296.415 0.195 10 0 CCAELP C[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)NC[C@@H]1C[NH+](C)CCO1)CC2 ZINC000246410420 352365430 /nfs/dbraw/zinc/36/54/30/352365430.db2.gz RZPZWTJKORSGEH-HZSPNIEDSA-N 2 2 296.415 0.195 10 0 CCAELP C[NH+]1[C@@H]2CC[C@H]1CN(C(=O)NC[C@@H]1C[N@H+](C)CCO1)CC2 ZINC000246410420 352365433 /nfs/dbraw/zinc/36/54/33/352365433.db2.gz RZPZWTJKORSGEH-HZSPNIEDSA-N 2 2 296.415 0.195 10 0 CCAELP C[NH+]1[C@@H]2CC[C@H]1CN(C(=O)NC[C@@H]1C[N@@H+](C)CCO1)CC2 ZINC000246410420 352365438 /nfs/dbraw/zinc/36/54/38/352365438.db2.gz RZPZWTJKORSGEH-HZSPNIEDSA-N 2 2 296.415 0.195 10 0 CCAELP CCOC(=O)c1cnc(N2CC[N@H+](C)C[C@H]2C[NH3+])nc1C ZINC000250494240 352505295 /nfs/dbraw/zinc/50/52/95/352505295.db2.gz JIGXSPLVTQFWGV-LLVKDONJSA-N 2 2 293.371 0.041 10 0 CCAELP CCOC(=O)c1cnc(N2CC[N@@H+](C)C[C@H]2C[NH3+])nc1C ZINC000250494240 352505296 /nfs/dbraw/zinc/50/52/96/352505296.db2.gz JIGXSPLVTQFWGV-LLVKDONJSA-N 2 2 293.371 0.041 10 0 CCAELP Cn1ncc2c1nc(N[C@H]1CCC[C@H]([NH3+])C1)[nH+]c2N ZINC000333544090 282843462 /nfs/dbraw/zinc/84/34/62/282843462.db2.gz OHDQINSCFOLRQI-YUMQZZPRSA-N 2 2 261.333 0.049 10 0 CCAELP Cc1ncc2c(c1CNC(=O)Cn1cc[nH+]c1)CC[NH2+]C2 ZINC000299759280 354048741 /nfs/dbraw/zinc/04/87/41/354048741.db2.gz FLZLLBJWHKANFU-UHFFFAOYSA-N 2 2 285.351 0.549 10 0 CCAELP C[C@@H]1CC[NH2+]C[C@H]1Nc1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000333926563 354817064 /nfs/dbraw/zinc/81/70/64/354817064.db2.gz VNKPVFSSGFOOMR-FRRDWIJNSA-N 2 2 291.399 0.848 10 0 CCAELP CC[N@@H+]1CCC[C@H]1CN(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000336826385 355201513 /nfs/dbraw/zinc/20/15/13/355201513.db2.gz NPIWHFHUGHFEQV-GJZGRUSLSA-N 2 2 285.432 0.096 10 0 CCAELP CC[N@H+]1CCC[C@H]1CN(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000336826385 355201516 /nfs/dbraw/zinc/20/15/16/355201516.db2.gz NPIWHFHUGHFEQV-GJZGRUSLSA-N 2 2 285.432 0.096 10 0 CCAELP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333844304 295925523 /nfs/dbraw/zinc/92/55/23/295925523.db2.gz OWIXPAXXBWEXNW-UONOGXRCSA-N 2 2 298.431 0.491 10 0 CCAELP CC(C)S(=O)(=O)CCC[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631839867 370706402 /nfs/dbraw/zinc/70/64/02/370706402.db2.gz LWMPYZVLHLXBSO-VXGBXAGGSA-N 2 2 262.419 0.726 10 0 CCAELP CC(C)S(=O)(=O)CCC[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631839867 370706405 /nfs/dbraw/zinc/70/64/05/370706405.db2.gz LWMPYZVLHLXBSO-VXGBXAGGSA-N 2 2 262.419 0.726 10 0 CCAELP C[C@]1(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)CCC[NH2+]C1 ZINC000062976725 291354397 /nfs/dbraw/zinc/35/43/97/291354397.db2.gz UZSUUJXDLUWJCF-HIFRSBDPSA-N 2 2 281.400 0.309 10 0 CCAELP O[C@@H]1COCC[C@@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000624236955 367800754 /nfs/dbraw/zinc/80/07/54/367800754.db2.gz NGCROFWBJZOKSQ-UONOGXRCSA-N 2 2 277.368 0.790 10 0 CCAELP COc1ccccc1N1CC[NH+](C[C@@H](O)C[NH3+])CC1 ZINC000019430802 388793606 /nfs/dbraw/zinc/79/36/06/388793606.db2.gz NXALKUMQNRTWOA-LBPRGKRZSA-N 2 2 265.357 0.137 10 0 CCAELP CC(C)CNC(=O)[C@@H](C)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193636158 389075484 /nfs/dbraw/zinc/07/54/84/389075484.db2.gz UDVFJISFYHEDAB-UPJWGTAASA-N 2 2 253.390 0.641 10 0 CCAELP CC(C)CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193636158 389075489 /nfs/dbraw/zinc/07/54/89/389075489.db2.gz UDVFJISFYHEDAB-UPJWGTAASA-N 2 2 253.390 0.641 10 0 CCAELP CC(C)CNC(=O)[C@@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193636158 389075491 /nfs/dbraw/zinc/07/54/91/389075491.db2.gz UDVFJISFYHEDAB-UPJWGTAASA-N 2 2 253.390 0.641 10 0 CCAELP CC(C)CNC(=O)[C@@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193636158 389075494 /nfs/dbraw/zinc/07/54/94/389075494.db2.gz UDVFJISFYHEDAB-UPJWGTAASA-N 2 2 253.390 0.641 10 0 CCAELP Nc1[nH+]cnc(N2CC[C@@H]3[NH2+]CC[C@H]3C2)c1Cl ZINC000333916140 389449279 /nfs/dbraw/zinc/44/92/79/389449279.db2.gz NBHUXGJXQIKXFL-YUMQZZPRSA-N 2 2 253.737 0.900 10 0 CCAELP Nc1nc[nH+]c(N2CC[C@@H]3[NH2+]CC[C@H]3C2)c1Cl ZINC000333916140 389449283 /nfs/dbraw/zinc/44/92/83/389449283.db2.gz NBHUXGJXQIKXFL-YUMQZZPRSA-N 2 2 253.737 0.900 10 0 CCAELP Nc1[nH+]cnc(N2CC[C@H]3[NH2+]CC[C@@H]3C2)c1Cl ZINC000333916137 389449713 /nfs/dbraw/zinc/44/97/13/389449713.db2.gz NBHUXGJXQIKXFL-HTQZYQBOSA-N 2 2 253.737 0.900 10 0 CCAELP Nc1nc[nH+]c(N2CC[C@H]3[NH2+]CC[C@@H]3C2)c1Cl ZINC000333916137 389449715 /nfs/dbraw/zinc/44/97/15/389449715.db2.gz NBHUXGJXQIKXFL-HTQZYQBOSA-N 2 2 253.737 0.900 10 0 CCAELP C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000577954420 390855299 /nfs/dbraw/zinc/85/52/99/390855299.db2.gz GBRRUBAFFCYSBY-NXEZZACHSA-N 2 2 261.316 0.442 10 0 CCAELP C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000577954420 390855300 /nfs/dbraw/zinc/85/53/00/390855300.db2.gz GBRRUBAFFCYSBY-NXEZZACHSA-N 2 2 261.316 0.442 10 0 CCAELP O=C(NCC1CC1)[C@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000038042857 174047067 /nfs/dbraw/zinc/04/70/67/174047067.db2.gz SMPZORHSLXJRIL-CYBMUJFWSA-N 2 2 251.374 0.729 10 0 CCAELP O=C(NCC1CC1)[C@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000038042857 174047070 /nfs/dbraw/zinc/04/70/70/174047070.db2.gz SMPZORHSLXJRIL-CYBMUJFWSA-N 2 2 251.374 0.729 10 0 CCAELP O=C(NCc1cn[nH]c1)[C@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000038043364 174049598 /nfs/dbraw/zinc/04/95/98/174049598.db2.gz CSRUWQLFNXHXIA-CYBMUJFWSA-N 2 2 277.372 0.242 10 0 CCAELP O=C(NCc1cn[nH]c1)[C@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000038043364 174049600 /nfs/dbraw/zinc/04/96/00/174049600.db2.gz CSRUWQLFNXHXIA-CYBMUJFWSA-N 2 2 277.372 0.242 10 0 CCAELP CCC[N@H+]([C@H]1CCS(=O)(=O)C1)C1CC[NH2+]CC1 ZINC000038085472 174096143 /nfs/dbraw/zinc/09/61/43/174096143.db2.gz GCTMOANQUQFWPX-LBPRGKRZSA-N 2 2 260.403 0.638 10 0 CCAELP CCC[N@@H+]([C@H]1CCS(=O)(=O)C1)C1CC[NH2+]CC1 ZINC000038085472 174096145 /nfs/dbraw/zinc/09/61/45/174096145.db2.gz GCTMOANQUQFWPX-LBPRGKRZSA-N 2 2 260.403 0.638 10 0 CCAELP C[NH2+]CC[N@H+](C)CCc1ccc2c(c1)oc(=O)n2C ZINC000076362643 177002935 /nfs/dbraw/zinc/00/29/35/177002935.db2.gz BZQOKCDBRLFQGB-UHFFFAOYSA-N 2 2 263.341 0.825 10 0 CCAELP C[NH2+]CC[N@@H+](C)CCc1ccc2c(c1)oc(=O)n2C ZINC000076362643 177002937 /nfs/dbraw/zinc/00/29/37/177002937.db2.gz BZQOKCDBRLFQGB-UHFFFAOYSA-N 2 2 263.341 0.825 10 0 CCAELP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000091669656 544527879 /nfs/dbraw/zinc/52/78/79/544527879.db2.gz SSIRWLVZNHCYHQ-QWHCGFSZSA-N 2 2 271.405 0.444 10 0 CCAELP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000091669656 544527881 /nfs/dbraw/zinc/52/78/81/544527881.db2.gz SSIRWLVZNHCYHQ-QWHCGFSZSA-N 2 2 271.405 0.444 10 0 CCAELP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cccc2c1OCCO2 ZINC000262107056 544940235 /nfs/dbraw/zinc/94/02/35/544940235.db2.gz JRTXUNDRTOMLNY-NEPJUHHUSA-N 2 2 264.325 0.128 10 0 CCAELP CCn1nc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)c2ccccc21 ZINC000262148711 544941518 /nfs/dbraw/zinc/94/15/18/544941518.db2.gz QSQUWOFXMQLLBN-NHYWBVRUSA-N 2 2 274.368 0.726 10 0 CCAELP [NH3+]C1(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)CCCCC1 ZINC000062976789 279614372 /nfs/dbraw/zinc/61/43/72/279614372.db2.gz DIMUFUZLHHFQBX-ZDUSSCGKSA-N 2 2 281.400 0.581 10 0 CCAELP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](N2CCOCC2)C1 ZINC000383818625 545085022 /nfs/dbraw/zinc/08/50/22/545085022.db2.gz DJNBVSIYBGXTOL-CABCVRRESA-N 2 2 285.432 0.094 10 0 CCAELP CC(C)[N@H+](C)C[C@H](O)CN1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000383818625 545085019 /nfs/dbraw/zinc/08/50/19/545085019.db2.gz DJNBVSIYBGXTOL-CABCVRRESA-N 2 2 285.432 0.094 10 0 CCAELP CC(C)[N@@H+](C)C[C@H](O)CN1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000383818625 545085020 /nfs/dbraw/zinc/08/50/20/545085020.db2.gz DJNBVSIYBGXTOL-CABCVRRESA-N 2 2 285.432 0.094 10 0 CCAELP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](N2CCOCC2)C1 ZINC000383818625 545085021 /nfs/dbraw/zinc/08/50/21/545085021.db2.gz DJNBVSIYBGXTOL-CABCVRRESA-N 2 2 285.432 0.094 10 0 CCAELP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000383818625 545085023 /nfs/dbraw/zinc/08/50/23/545085023.db2.gz DJNBVSIYBGXTOL-CABCVRRESA-N 2 2 285.432 0.094 10 0 CCAELP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000383818625 545085024 /nfs/dbraw/zinc/08/50/24/545085024.db2.gz DJNBVSIYBGXTOL-CABCVRRESA-N 2 2 285.432 0.094 10 0 CCAELP C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261809524 298122928 /nfs/dbraw/zinc/12/29/28/298122928.db2.gz OQDXPMNUDHGEOH-MWLCHTKSSA-N 2 2 282.388 0.422 10 0 CCAELP C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261809524 298122931 /nfs/dbraw/zinc/12/29/31/298122931.db2.gz OQDXPMNUDHGEOH-MWLCHTKSSA-N 2 2 282.388 0.422 10 0 CCAELP CCCN(CC[C@H]([NH2+]C)C(=O)OC)CC[NH+](C)C ZINC000062528019 521669828 /nfs/dbraw/zinc/66/98/28/521669828.db2.gz GDXIFJUNBCJYJC-LBPRGKRZSA-N 2 2 259.394 0.411 10 0 CCAELP CCCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)C[NH+](CC)CC ZINC000049203338 519888261 /nfs/dbraw/zinc/88/82/61/519888261.db2.gz UVBMOFLNOLXJPU-VXGBXAGGSA-N 2 2 259.394 0.193 10 0 CCAELP CC[NH2+][C@H](CCN1CCC[C@@H]1C[NH+](C)C)C(=O)OC ZINC000062532642 520188682 /nfs/dbraw/zinc/18/86/82/520188682.db2.gz TUFBPENLWIVONB-CHWSQXEVSA-N 2 2 271.405 0.554 10 0 CCAELP CCOC(=O)[C@H](CCN1CCC[N@H+](C)CC1)[NH2+]C ZINC000062444167 521245189 /nfs/dbraw/zinc/24/51/89/521245189.db2.gz YIQUQDLBLIKCAX-LBPRGKRZSA-N 2 2 257.378 0.165 10 0 CCAELP CCOC(=O)[C@H](CCN1CCC[N@@H+](C)CC1)[NH2+]C ZINC000062444167 521245194 /nfs/dbraw/zinc/24/51/94/521245194.db2.gz YIQUQDLBLIKCAX-LBPRGKRZSA-N 2 2 257.378 0.165 10 0 CCAELP C[NH+](C)CCOc1nc(Cl)nc(-n2cc[nH+]c2)n1 ZINC000061521856 521804826 /nfs/dbraw/zinc/80/48/26/521804826.db2.gz ZKXQDFTWNICHPX-UHFFFAOYSA-N 2 2 268.708 0.651 10 0 CCAELP COCCNC(=O)[C@H](C)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000049235671 523914630 /nfs/dbraw/zinc/91/46/30/523914630.db2.gz VJMYVOCSNJUCML-MNOVXSKESA-N 2 2 254.334 0.012 10 0 CCAELP C[C@H]1CC[C@@H]([NH3+])C[C@@H]1C(=O)NCC[NH+]1CCOCC1 ZINC000055123626 524362730 /nfs/dbraw/zinc/36/27/30/524362730.db2.gz NUIFJASNPXDIDK-XQQFMLRXSA-N 2 2 269.389 0.198 10 0 CCAELP C[C@H]([NH3+])[C@H]([NH+]1CCN(CC[NH+](C)C)CC1)C(C)(C)C ZINC000061642416 524851741 /nfs/dbraw/zinc/85/17/41/524851741.db2.gz GRTSNEREEKBFJN-KBPBESRZSA-N 3 2 270.465 0.928 10 0 CCAELP NNc1cccc(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)[nH+]1 ZINC000051116249 527283912 /nfs/dbraw/zinc/28/39/12/527283912.db2.gz YAMDMEYQVVRJAE-VIFPVBQESA-N 2 2 261.329 0.334 10 0 CCAELP NNc1cccc(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)[nH+]1 ZINC000051116249 527283916 /nfs/dbraw/zinc/28/39/16/527283916.db2.gz YAMDMEYQVVRJAE-VIFPVBQESA-N 2 2 261.329 0.334 10 0 CCAELP CCn1ncc(Br)c1C1=C[C@@H]([NH3+])C[NH2+]C1 ZINC000675077454 545321252 /nfs/dbraw/zinc/32/12/52/545321252.db2.gz FEYUVXSMGQNYNJ-MRVPVSSYSA-N 2 2 271.162 0.979 10 0 CCAELP [NH3+]CCCCCC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000062976787 637190979 /nfs/dbraw/zinc/19/09/79/637190979.db2.gz XXXLZXMGQWQTSU-CYBMUJFWSA-N 2 2 269.389 0.439 10 0 CCAELP CC(C)(C)[NH2+]CCC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000062976812 637191443 /nfs/dbraw/zinc/19/14/43/637191443.db2.gz WCDADYHAVRCTSA-CYBMUJFWSA-N 2 2 283.416 0.698 10 0 CCAELP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000104143132 349709389 /nfs/dbraw/zinc/70/93/89/349709389.db2.gz VVAQREJFUAPRDR-KGLIPLIRSA-N 2 2 283.416 0.698 10 0 CCAELP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000104143132 349709390 /nfs/dbraw/zinc/70/93/90/349709390.db2.gz VVAQREJFUAPRDR-KGLIPLIRSA-N 2 2 283.416 0.698 10 0 CCAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](CCCO)CC2)C1 ZINC000105915187 349727433 /nfs/dbraw/zinc/72/74/33/349727433.db2.gz LNXMWNCIHHCSHZ-HNNXBMFYSA-N 2 2 285.432 0.096 10 0 CCAELP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1cnccn1 ZINC000151288219 231684364 /nfs/dbraw/zinc/68/43/64/231684364.db2.gz JCKRQKFCVLQYJY-QWHCGFSZSA-N 2 2 264.373 0.974 10 0 CCAELP CN(CCCn1cc[nH+]c1)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000119624862 349945416 /nfs/dbraw/zinc/94/54/16/349945416.db2.gz LRKAVRPVDMLRTO-CYBMUJFWSA-N 2 2 295.387 0.245 10 0 CCAELP CN(CCCn1cc[nH+]c1)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000119624862 349945422 /nfs/dbraw/zinc/94/54/22/349945422.db2.gz LRKAVRPVDMLRTO-CYBMUJFWSA-N 2 2 295.387 0.245 10 0 CCAELP CCCS(=O)(=O)CC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261544385 137007355 /nfs/dbraw/zinc/00/73/55/137007355.db2.gz DWPQSJCSHDTZLX-TUAOUCFPSA-N 2 2 260.403 0.480 10 0 CCAELP CCCS(=O)(=O)CC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261544385 137007356 /nfs/dbraw/zinc/00/73/56/137007356.db2.gz DWPQSJCSHDTZLX-TUAOUCFPSA-N 2 2 260.403 0.480 10 0 CCAELP Cn1cc(N2CC[C@H]([N@@H+]3CC[C@H]([NH3+])C(C)(C)C3)C2=O)cn1 ZINC000261645629 137013984 /nfs/dbraw/zinc/01/39/84/137013984.db2.gz GTBGLWPQGSEJRI-STQMWFEESA-N 2 2 291.399 0.585 10 0 CCAELP Cn1cc(N2CC[C@H]([N@H+]3CC[C@H]([NH3+])C(C)(C)C3)C2=O)cn1 ZINC000261645629 137013985 /nfs/dbraw/zinc/01/39/85/137013985.db2.gz GTBGLWPQGSEJRI-STQMWFEESA-N 2 2 291.399 0.585 10 0 CCAELP O=C1NCCC[C@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000050395032 348474058 /nfs/dbraw/zinc/47/40/58/348474058.db2.gz QZMZCPNZCSLXOY-CYBMUJFWSA-N 2 2 274.368 0.919 10 0 CCAELP CC(C)[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1=O ZINC000071032981 348902627 /nfs/dbraw/zinc/90/26/27/348902627.db2.gz ZEQKZSQBBNWOSS-ZDUSSCGKSA-N 2 2 269.389 0.308 10 0 CCAELP O=C([C@@H]1COCC[NH2+]1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000088371103 349362650 /nfs/dbraw/zinc/36/26/50/349362650.db2.gz PHZZWUXQSTYNKZ-OLZOCXBDSA-N 2 2 267.373 0.062 10 0 CCAELP CCc1cc(NCC(=O)N2CC[NH2+]CC2)nc(C)[nH+]1 ZINC000088760567 349371597 /nfs/dbraw/zinc/37/15/97/349371597.db2.gz ATWUTOACZWVMEP-UHFFFAOYSA-N 2 2 263.345 0.191 10 0 CCAELP C[N@@H+]1CCN(c2ncnc3sccc32)[C@H](C[NH3+])C1 ZINC000122815888 350070338 /nfs/dbraw/zinc/07/03/38/350070338.db2.gz FLUIZWOXEWOKDO-SECBINFHSA-N 2 2 263.370 0.770 10 0 CCAELP C[N@H+]1CCN(c2ncnc3sccc32)[C@H](C[NH3+])C1 ZINC000122815888 350070340 /nfs/dbraw/zinc/07/03/40/350070340.db2.gz FLUIZWOXEWOKDO-SECBINFHSA-N 2 2 263.370 0.770 10 0 CCAELP C[C@@H]1CCC[N@H+](CCNC(=O)NC[C@@H]2C[NH+](C)CCO2)C1 ZINC000104788596 186023665 /nfs/dbraw/zinc/02/36/65/186023665.db2.gz LIUVLKLUOPEMAR-ZIAGYGMSSA-N 2 2 298.431 0.348 10 0 CCAELP C[C@@H]1CCC[N@@H+](CCNC(=O)NC[C@@H]2C[NH+](C)CCO2)C1 ZINC000104788596 186023667 /nfs/dbraw/zinc/02/36/67/186023667.db2.gz LIUVLKLUOPEMAR-ZIAGYGMSSA-N 2 2 298.431 0.348 10 0 CCAELP C[C@@H]1CCC[NH+](CCNC(=O)NC[C@@H]2C[N@H+](C)CCO2)C1 ZINC000104788596 186023668 /nfs/dbraw/zinc/02/36/68/186023668.db2.gz LIUVLKLUOPEMAR-ZIAGYGMSSA-N 2 2 298.431 0.348 10 0 CCAELP C[C@@H]1CCC[NH+](CCNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000104788596 186023670 /nfs/dbraw/zinc/02/36/70/186023670.db2.gz LIUVLKLUOPEMAR-ZIAGYGMSSA-N 2 2 298.431 0.348 10 0 CCAELP O=C1CNC(=O)N1CC[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131662242 350282251 /nfs/dbraw/zinc/28/22/51/350282251.db2.gz KTPRHKKKOSNZEN-LBPRGKRZSA-N 2 2 290.323 0.087 10 0 CCAELP O=C1CNC(=O)N1CC[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131662242 350282255 /nfs/dbraw/zinc/28/22/55/350282255.db2.gz KTPRHKKKOSNZEN-LBPRGKRZSA-N 2 2 290.323 0.087 10 0 CCAELP CC[C@H]([NH2+]C[C@H]1CCCN1c1cc(NC)[nH+]cn1)C(N)=O ZINC000105797899 186071946 /nfs/dbraw/zinc/07/19/46/186071946.db2.gz JZUOQYVVKCYZRJ-MNOVXSKESA-N 2 2 292.387 0.341 10 0 CCAELP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170829746 350865954 /nfs/dbraw/zinc/86/59/54/350865954.db2.gz QWZBXQJYTMTPAI-STQMWFEESA-N 2 2 284.404 0.053 10 0 CCAELP CC(C)[NH+]1CCC(C(=O)NC[C@H](C)[NH+]2CCOCC2)CC1 ZINC000174590914 351093689 /nfs/dbraw/zinc/09/36/89/351093689.db2.gz XAZUETOXRVTHNW-AWEZNQCLSA-N 2 2 297.443 0.944 10 0 CCAELP C[NH+](C)CCCNC(=O)[C@H]1CCCn2cc[nH+]c21 ZINC000175919870 351148926 /nfs/dbraw/zinc/14/89/26/351148926.db2.gz BCIBADPOIYADCB-NSHDSACASA-N 2 2 250.346 0.828 10 0 CCAELP C[C@@H](C(=O)NC[C@H]1C[N@@H+](C)CCO1)[NH+]1CCCCCC1 ZINC000175795049 351143705 /nfs/dbraw/zinc/14/37/05/351143705.db2.gz CLPPWQVVWBWLLA-KBPBESRZSA-N 2 2 283.416 0.698 10 0 CCAELP CCOCC[NH+]1CCN(C(=O)[C@]2(C)CCCC[NH2+]2)CC1 ZINC000180984311 351296687 /nfs/dbraw/zinc/29/66/87/351296687.db2.gz BTPJLUFDVAKKMX-HNNXBMFYSA-N 2 2 283.416 0.699 10 0 CCAELP C[C@H](c1nnnn1C)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000189201475 351657266 /nfs/dbraw/zinc/65/72/66/351657266.db2.gz YPGSITXLEHZDIU-LLVKDONJSA-N 2 2 289.387 0.959 10 0 CCAELP C[C@H]1CCCCN1C(=O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193620088 351836110 /nfs/dbraw/zinc/83/61/10/351836110.db2.gz HEPQNADXYXDJBM-MELADBBJSA-N 2 2 265.401 0.881 10 0 CCAELP C[C@H]1CCCCN1C(=O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193620088 351836111 /nfs/dbraw/zinc/83/61/11/351836111.db2.gz HEPQNADXYXDJBM-MELADBBJSA-N 2 2 265.401 0.881 10 0 CCAELP C[C@H]1CCCCN1C(=O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193620088 351836112 /nfs/dbraw/zinc/83/61/12/351836112.db2.gz HEPQNADXYXDJBM-MELADBBJSA-N 2 2 265.401 0.881 10 0 CCAELP C[C@H]1CCCCN1C(=O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193620088 351836113 /nfs/dbraw/zinc/83/61/13/351836113.db2.gz HEPQNADXYXDJBM-MELADBBJSA-N 2 2 265.401 0.881 10 0 CCAELP Cc1cnn(CC[NH2+]Cc2c[nH+]c(N(C)C)n2C)c1 ZINC000234269245 352155959 /nfs/dbraw/zinc/15/59/59/352155959.db2.gz OTMNGRZDMVEFES-UHFFFAOYSA-N 2 2 262.361 0.781 10 0 CCAELP C[C@H](C(=O)NC[C@@H]1C[NH+](C)CCO1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000245203153 352316596 /nfs/dbraw/zinc/31/65/96/352316596.db2.gz ZWIUEGHAVAOUJN-XJFOESAGSA-N 2 2 283.416 0.695 10 0 CCAELP C[C@H](C(=O)NC[C@@H]1C[NH+](C)CCO1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000245203153 352316599 /nfs/dbraw/zinc/31/65/99/352316599.db2.gz ZWIUEGHAVAOUJN-XJFOESAGSA-N 2 2 283.416 0.695 10 0 CCAELP C[C@H](C(=O)NC[C@@H]1C[N@H+](C)CCO1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000245203153 352316602 /nfs/dbraw/zinc/31/66/02/352316602.db2.gz ZWIUEGHAVAOUJN-XJFOESAGSA-N 2 2 283.416 0.695 10 0 CCAELP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NC[C@@H]2C[N@H+](C)CCO2)C1 ZINC000247061646 352395947 /nfs/dbraw/zinc/39/59/47/352395947.db2.gz OCGWSRPBZRTPFU-MGPQQGTHSA-N 2 2 298.431 0.489 10 0 CCAELP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000247061646 352395949 /nfs/dbraw/zinc/39/59/49/352395949.db2.gz OCGWSRPBZRTPFU-MGPQQGTHSA-N 2 2 298.431 0.489 10 0 CCAELP C[NH+](C)[C@H]1CCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000277646378 353256032 /nfs/dbraw/zinc/25/60/32/353256032.db2.gz YBGFGBNXFHPOOT-LBPRGKRZSA-N 2 2 277.372 0.454 10 0 CCAELP CNC(=O)C[NH+]1CCC(CN(C)c2cccc[nH+]2)CC1 ZINC000301384687 354078663 /nfs/dbraw/zinc/07/86/63/354078663.db2.gz VBBCEVJZUFBNAW-UHFFFAOYSA-N 2 2 276.384 0.976 10 0 CCAELP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333844298 295925519 /nfs/dbraw/zinc/92/55/19/295925519.db2.gz OWIXPAXXBWEXNW-KBPBESRZSA-N 2 2 298.431 0.491 10 0 CCAELP CC[N@@H+]1CCOC[C@H]1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000329059200 202173435 /nfs/dbraw/zinc/17/34/35/202173435.db2.gz NADIREOBTDCGMQ-AWEZNQCLSA-N 2 2 292.383 0.767 10 0 CCAELP CC[N@H+]1CCOC[C@H]1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000329059200 202173438 /nfs/dbraw/zinc/17/34/38/202173438.db2.gz NADIREOBTDCGMQ-AWEZNQCLSA-N 2 2 292.383 0.767 10 0 CCAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC000178200406 189097382 /nfs/dbraw/zinc/09/73/82/189097382.db2.gz HOZGNZULONNJQJ-NWDGAFQWSA-N 2 2 262.357 0.971 10 0 CCAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC000178200406 189097383 /nfs/dbraw/zinc/09/73/83/189097383.db2.gz HOZGNZULONNJQJ-NWDGAFQWSA-N 2 2 262.357 0.971 10 0 CCAELP CC(C)(C)OC(=O)NCC[N@@H+]1CCCOC[C@@H]1CC[NH3+] ZINC000616644797 365403986 /nfs/dbraw/zinc/40/39/86/365403986.db2.gz FCOOFYIFNRPKIQ-LBPRGKRZSA-N 2 2 287.404 0.951 10 0 CCAELP CC(C)(C)OC(=O)NCC[N@H+]1CCCOC[C@@H]1CC[NH3+] ZINC000616644797 365403991 /nfs/dbraw/zinc/40/39/91/365403991.db2.gz FCOOFYIFNRPKIQ-LBPRGKRZSA-N 2 2 287.404 0.951 10 0 CCAELP [NH3+]CC[N@@H+]1CCOCC[C@@H]1c1ccccc1CCO ZINC000616658388 365412754 /nfs/dbraw/zinc/41/27/54/365412754.db2.gz SMBXNQBYEWSEBR-OAHLLOKOSA-N 2 2 264.369 0.944 10 0 CCAELP [NH3+]CC[N@H+]1CCOCC[C@@H]1c1ccccc1CCO ZINC000616658388 365412757 /nfs/dbraw/zinc/41/27/57/365412757.db2.gz SMBXNQBYEWSEBR-OAHLLOKOSA-N 2 2 264.369 0.944 10 0 CCAELP [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000333311583 205209411 /nfs/dbraw/zinc/20/94/11/205209411.db2.gz RXHVTOBHZABUGQ-QLFBSQMISA-N 2 2 295.427 0.731 10 0 CCAELP [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000333311583 205209414 /nfs/dbraw/zinc/20/94/14/205209414.db2.gz RXHVTOBHZABUGQ-QLFBSQMISA-N 2 2 295.427 0.731 10 0 CCAELP C[C@H]([C@H](C)NC(=O)N[C@H]1CCCC[NH2+]C1)[NH+]1CCOCC1 ZINC000333430903 205314629 /nfs/dbraw/zinc/31/46/29/205314629.db2.gz UNPFEBMOBJIAKF-MJBXVCDLSA-N 2 2 298.431 0.537 10 0 CCAELP C[C@@H]1[NH2+]CCC[C@H]1Nc1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000333528446 205410115 /nfs/dbraw/zinc/41/01/15/205410115.db2.gz LVTSMOOJVUQLDZ-YNEHKIRRSA-N 2 2 291.399 0.990 10 0 CCAELP O=C1C[NH2+]CCN1[C@@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000333926830 284825133 /nfs/dbraw/zinc/82/51/33/284825133.db2.gz VVHIQUFDZXOPPP-GFCCVEGCSA-N 2 2 299.378 0.964 10 0 CCAELP C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000335368506 208293166 /nfs/dbraw/zinc/29/31/66/208293166.db2.gz MIQBDGNLGALZNT-NXEZZACHSA-N 2 2 261.316 0.394 10 0 CCAELP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000188774762 388940944 /nfs/dbraw/zinc/94/09/44/388940944.db2.gz HVQJOFQRNMJRGH-GHMZBOCLSA-N 2 2 289.383 0.364 10 0 CCAELP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000188774762 388940948 /nfs/dbraw/zinc/94/09/48/388940948.db2.gz HVQJOFQRNMJRGH-GHMZBOCLSA-N 2 2 289.383 0.364 10 0 CCAELP C=Cn1cc(C[NH2+]C[C@H](O)C[NH+]2CCCCC2)cn1 ZINC000194256054 389091361 /nfs/dbraw/zinc/09/13/61/389091361.db2.gz XUZIGAZQDWCLNR-AWEZNQCLSA-N 2 2 264.373 0.920 10 0 CCAELP C[NH+]1CCN(C(=O)C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)CC1 ZINC000120719799 389144810 /nfs/dbraw/zinc/14/48/10/389144810.db2.gz VJBHNMYMSOHSNE-KBPBESRZSA-N 2 2 281.400 0.404 10 0 CCAELP C[NH+]1CCN(C(=O)C[N@H+]2CCO[C@H]3CCCC[C@@H]32)CC1 ZINC000120719799 389144815 /nfs/dbraw/zinc/14/48/15/389144815.db2.gz VJBHNMYMSOHSNE-KBPBESRZSA-N 2 2 281.400 0.404 10 0 CCAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCO[C@@H](CO)C1 ZINC000329731456 389193480 /nfs/dbraw/zinc/19/34/80/389193480.db2.gz GQOAAMYTLXXQAB-OAHLLOKOSA-N 2 2 288.351 0.769 10 0 CCAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCO[C@@H](CO)C1 ZINC000329731456 389193484 /nfs/dbraw/zinc/19/34/84/389193484.db2.gz GQOAAMYTLXXQAB-OAHLLOKOSA-N 2 2 288.351 0.769 10 0 CCAELP C[C@]1(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)CCCC[NH2+]1 ZINC000136203070 389264899 /nfs/dbraw/zinc/26/48/99/389264899.db2.gz GCYCGCRKZJWLIJ-DZGCQCFKSA-N 2 2 281.400 0.452 10 0 CCAELP O=C(NCCCn1cc[nH+]c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171896345 389482239 /nfs/dbraw/zinc/48/22/39/389482239.db2.gz NTTLYVIQUKCAIM-ZDUSSCGKSA-N 2 2 277.372 0.763 10 0 CCAELP O=C(NCCCn1cc[nH+]c1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000171896345 389482241 /nfs/dbraw/zinc/48/22/41/389482241.db2.gz NTTLYVIQUKCAIM-ZDUSSCGKSA-N 2 2 277.372 0.763 10 0 CCAELP O[C@@]1(C[NH2+]C2CC[NH2+]CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000422972816 389513353 /nfs/dbraw/zinc/51/33/53/389513353.db2.gz AKTAMLSTNVPJKO-QGZVFWFLSA-N 3 2 289.423 0.965 10 0 CCAELP O[C@@]1(C[NH2+]C2CC[NH2+]CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000422972816 389513358 /nfs/dbraw/zinc/51/33/58/389513358.db2.gz AKTAMLSTNVPJKO-QGZVFWFLSA-N 3 2 289.423 0.965 10 0 CCAELP C[C@@H](O)C[N@@H+]1CCN(CCCn2cc[nH+]c2)C[C@@H]1C ZINC000183175274 389726927 /nfs/dbraw/zinc/72/69/27/389726927.db2.gz CZALNTSNMBGUIA-UONOGXRCSA-N 2 2 266.389 0.660 10 0 CCAELP C[C@@H](O)C[N@H+]1CCN(CCCn2cc[nH+]c2)C[C@@H]1C ZINC000183175274 389726929 /nfs/dbraw/zinc/72/69/29/389726929.db2.gz CZALNTSNMBGUIA-UONOGXRCSA-N 2 2 266.389 0.660 10 0 CCAELP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000577954423 390855260 /nfs/dbraw/zinc/85/52/60/390855260.db2.gz GBRRUBAFFCYSBY-ZJUUUORDSA-N 2 2 261.316 0.442 10 0 CCAELP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000577954423 390855261 /nfs/dbraw/zinc/85/52/61/390855261.db2.gz GBRRUBAFFCYSBY-ZJUUUORDSA-N 2 2 261.316 0.442 10 0 CCAELP O=C1NCC[C@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000658052514 413095755 /nfs/dbraw/zinc/09/57/55/413095755.db2.gz DUTMTMLSSIAGEF-GFCCVEGCSA-N 2 2 260.341 0.529 10 0 CCAELP CCc1nc(N2CCO[C@@H]([C@@H](C)[NH3+])C2)cc(C)[nH+]1 ZINC000385517401 397498796 /nfs/dbraw/zinc/49/87/96/397498796.db2.gz YHOYDANXKBYFNW-GHMZBOCLSA-N 2 2 250.346 0.900 10 0 CCAELP Cc1[nH+]ccn1CCCN1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000652341654 412031926 /nfs/dbraw/zinc/03/19/26/412031926.db2.gz BSRKIWNWPZLLAL-UONOGXRCSA-N 2 2 264.373 0.644 10 0 CCAELP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H]2OCCN[C@H]2C1 ZINC000652341654 412031929 /nfs/dbraw/zinc/03/19/29/412031929.db2.gz BSRKIWNWPZLLAL-UONOGXRCSA-N 2 2 264.373 0.644 10 0 CCAELP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H]2OCCN[C@H]2C1 ZINC000652341654 412031931 /nfs/dbraw/zinc/03/19/31/412031931.db2.gz BSRKIWNWPZLLAL-UONOGXRCSA-N 2 2 264.373 0.644 10 0 CCAELP C[C@H](C(=O)Nc1ccccc1C[NH3+])[N@@H+]1CCC[C@@H]1C(N)=O ZINC000020294563 171135620 /nfs/dbraw/zinc/13/56/20/171135620.db2.gz QNPJGLMRTZREHO-ZWNOBZJWSA-N 2 2 290.367 0.422 10 0 CCAELP C[C@H](C(=O)Nc1ccccc1C[NH3+])[N@H+]1CCC[C@@H]1C(N)=O ZINC000020294563 171135623 /nfs/dbraw/zinc/13/56/23/171135623.db2.gz QNPJGLMRTZREHO-ZWNOBZJWSA-N 2 2 290.367 0.422 10 0 CCAELP CCOc1cc(C[NH2+]CC[NH2+]CCO)ccc1OCCO ZINC000020968406 171282890 /nfs/dbraw/zinc/28/28/90/171282890.db2.gz CKSSCMPAVLFUPX-UHFFFAOYSA-N 2 2 298.383 0.128 10 0 CCAELP CC[NH2+]C1CC[NH+]([C@@H](C)C(=O)NCCCOC)CC1 ZINC000037537000 173256114 /nfs/dbraw/zinc/25/61/14/173256114.db2.gz IAUVGZJNAPQASD-LBPRGKRZSA-N 2 2 271.405 0.602 10 0 CCAELP Cn1cc[nH+]c1CNC(=O)CC[C@H]1CCCC[NH2+]1 ZINC000071276154 176106760 /nfs/dbraw/zinc/10/67/60/176106760.db2.gz IJBMBHIHIPCBCK-LLVKDONJSA-N 2 2 250.346 0.959 10 0 CCAELP Cc1cc(NC(=O)C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)no1 ZINC000631843271 419491626 /nfs/dbraw/zinc/49/16/26/419491626.db2.gz LNZROYPNHWZZLH-WPRPVWTQSA-N 2 2 252.318 0.448 10 0 CCAELP Cc1cc(NC(=O)C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)no1 ZINC000631843271 419491634 /nfs/dbraw/zinc/49/16/34/419491634.db2.gz LNZROYPNHWZZLH-WPRPVWTQSA-N 2 2 252.318 0.448 10 0 CCAELP [NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000227375959 544834744 /nfs/dbraw/zinc/83/47/44/544834744.db2.gz VHAURKOEOVBXDR-BFHYXJOUSA-N 2 2 281.400 0.295 10 0 CCAELP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1nccn1CC(F)(F)F ZINC000262105549 544940447 /nfs/dbraw/zinc/94/04/47/544940447.db2.gz JLPSUQBRSXYPOJ-BDAKNGLRSA-N 2 2 278.278 0.115 10 0 CCAELP O[C@H]1C[NH2+]C[C@@H]1CNCc1[nH+]ccn1CC(F)(F)F ZINC000262105549 544940454 /nfs/dbraw/zinc/94/04/54/544940454.db2.gz JLPSUQBRSXYPOJ-BDAKNGLRSA-N 2 2 278.278 0.115 10 0 CCAELP C[N@@H+]1CCO[C@@H]2CN(C(=O)C[C@@H]3CCC[C@H]3[NH3+])C[C@@H]21 ZINC000261803823 277121908 /nfs/dbraw/zinc/12/19/08/277121908.db2.gz MTUHBMORFXFGMF-QNWHQSFQSA-N 2 2 267.373 0.045 10 0 CCAELP C[N@H+]1CCO[C@@H]2CN(C(=O)C[C@@H]3CCC[C@H]3[NH3+])C[C@@H]21 ZINC000261803823 277121909 /nfs/dbraw/zinc/12/19/09/277121909.db2.gz MTUHBMORFXFGMF-QNWHQSFQSA-N 2 2 267.373 0.045 10 0 CCAELP COC(=O)C(C)(C)NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000038043271 277307935 /nfs/dbraw/zinc/30/79/35/277307935.db2.gz AUFXGDBNDQJQPE-LBPRGKRZSA-N 2 2 297.399 0.271 10 0 CCAELP COC(=O)C(C)(C)NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000038043271 277307936 /nfs/dbraw/zinc/30/79/36/277307936.db2.gz AUFXGDBNDQJQPE-LBPRGKRZSA-N 2 2 297.399 0.271 10 0 CCAELP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247682566 278204119 /nfs/dbraw/zinc/20/41/19/278204119.db2.gz RUZVLUWNCQIGJA-OUAUKWLOSA-N 2 2 279.344 0.349 10 0 CCAELP C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247682566 278204122 /nfs/dbraw/zinc/20/41/22/278204122.db2.gz RUZVLUWNCQIGJA-OUAUKWLOSA-N 2 2 279.344 0.349 10 0 CCAELP CC[C@H](O)C[NH+]1CCN([C@H](C)C[NH+]2CCOCC2)CC1 ZINC000180479866 288112420 /nfs/dbraw/zinc/11/24/20/288112420.db2.gz PBVQZZLLNNMCPW-CABCVRRESA-N 2 2 285.432 0.096 10 0 CCAELP CC1(C)C[N@H+](CCNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CCO1 ZINC000261810310 281239475 /nfs/dbraw/zinc/23/94/75/281239475.db2.gz RSLWQMUEVQXFAO-CHWSQXEVSA-N 2 2 283.416 0.588 10 0 CCAELP CC1(C)C[N@@H+](CCNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CCO1 ZINC000261810310 281239477 /nfs/dbraw/zinc/23/94/77/281239477.db2.gz RSLWQMUEVQXFAO-CHWSQXEVSA-N 2 2 283.416 0.588 10 0 CCAELP C[C@@H]1C[N@H+](CC[C@@H]2CCC[NH+]2C)C[C@@H](C(N)=O)O1 ZINC000089615131 297009112 /nfs/dbraw/zinc/00/91/12/297009112.db2.gz WQTZYIOGUCXMFN-WOPDTQHZSA-N 2 2 255.362 0.045 10 0 CCAELP C[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH+]2C)C[C@@H](C(N)=O)O1 ZINC000089615131 297009113 /nfs/dbraw/zinc/00/91/13/297009113.db2.gz WQTZYIOGUCXMFN-WOPDTQHZSA-N 2 2 255.362 0.045 10 0 CCAELP C[C@@H]1C[NH+](CC[C@@H]2CCC[N@@H+]2C)C[C@@H](C(N)=O)O1 ZINC000089615131 297009114 /nfs/dbraw/zinc/00/91/14/297009114.db2.gz WQTZYIOGUCXMFN-WOPDTQHZSA-N 2 2 255.362 0.045 10 0 CCAELP C[C@@H]1C[NH+](CC[C@@H]2CCC[N@H+]2C)C[C@@H](C(N)=O)O1 ZINC000089615131 297009115 /nfs/dbraw/zinc/00/91/15/297009115.db2.gz WQTZYIOGUCXMFN-WOPDTQHZSA-N 2 2 255.362 0.045 10 0 CCAELP CC(C)[NH2+]Cc1cn(CC[N@@H+]2CCOC[C@@H]2C)nn1 ZINC000052475933 519728194 /nfs/dbraw/zinc/72/81/94/519728194.db2.gz CWCMWEMXYANJHF-LBPRGKRZSA-N 2 2 267.377 0.497 10 0 CCAELP CC(C)[NH2+]Cc1cn(CC[N@H+]2CCOC[C@@H]2C)nn1 ZINC000052475933 519728197 /nfs/dbraw/zinc/72/81/97/519728197.db2.gz CWCMWEMXYANJHF-LBPRGKRZSA-N 2 2 267.377 0.497 10 0 CCAELP CCC(CC)[C@@H](C[NH3+])[NH+]1CCN(CC[NH+](C)C)CC1 ZINC000061643167 521602618 /nfs/dbraw/zinc/60/26/18/521602618.db2.gz VZWRAADWMSTAIS-OAHLLOKOSA-N 3 2 270.465 0.929 10 0 CCAELP C[N@H+](CC[C@H]([NH2+]C1CC1)C(N)=O)C1CCOCC1 ZINC000062450498 522935183 /nfs/dbraw/zinc/93/51/83/522935183.db2.gz DKSDHVAYIBHLHF-LBPRGKRZSA-N 2 2 255.362 0.093 10 0 CCAELP C[N@@H+](CC[C@H]([NH2+]C1CC1)C(N)=O)C1CCOCC1 ZINC000062450498 522935191 /nfs/dbraw/zinc/93/51/91/522935191.db2.gz DKSDHVAYIBHLHF-LBPRGKRZSA-N 2 2 255.362 0.093 10 0 CCAELP C[C@H]1CCC[NH2+][C@@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000051792440 524125702 /nfs/dbraw/zinc/12/57/02/524125702.db2.gz GQOSLNXPMOTMAT-RYUDHWBXSA-N 2 2 250.346 0.778 10 0 CCAELP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)C(=O)N1CCCC1 ZINC000049235698 524960701 /nfs/dbraw/zinc/96/07/01/524960701.db2.gz LPHKCNBERSYTIO-RYUDHWBXSA-N 2 2 250.346 0.872 10 0 CCAELP COC(=O)[C@H]1C[N@H+](CCn2cc[nH+]c2C)C[C@@H]1C ZINC000227824867 637038808 /nfs/dbraw/zinc/03/88/08/637038808.db2.gz BRWJVIHAZJSAIA-JQWIXIFHSA-N 2 2 251.330 0.932 10 0 CCAELP COC(=O)[C@H]1C[N@@H+](CCn2cc[nH+]c2C)C[C@@H]1C ZINC000227824867 637038812 /nfs/dbraw/zinc/03/88/12/637038812.db2.gz BRWJVIHAZJSAIA-JQWIXIFHSA-N 2 2 251.330 0.932 10 0 CCAELP [NH3+][C@H]1CC[C@@H](C(=O)N2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000091543696 349466731 /nfs/dbraw/zinc/46/67/31/349466731.db2.gz XTYIKLPVRBNZQN-CABCVRRESA-N 2 2 288.395 0.853 10 0 CCAELP CCOCC[N@@H+]1CCN(C(=O)C[NH+](CC)CC)C[C@@H]1C ZINC000117275902 349882549 /nfs/dbraw/zinc/88/25/49/349882549.db2.gz GCZVVIIAVVDSQZ-AWEZNQCLSA-N 2 2 285.432 0.897 10 0 CCAELP CCOCC[N@H+]1CCN(C(=O)C[NH+](CC)CC)C[C@@H]1C ZINC000117275902 349882551 /nfs/dbraw/zinc/88/25/51/349882551.db2.gz GCZVVIIAVVDSQZ-AWEZNQCLSA-N 2 2 285.432 0.897 10 0 CCAELP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)C1C[NH2+]C1 ZINC000261583222 137010699 /nfs/dbraw/zinc/01/06/99/137010699.db2.gz HCOYNLMEUIYODM-HNNXBMFYSA-N 2 2 289.379 0.223 10 0 CCAELP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C1C[NH2+]C1 ZINC000261583222 137010700 /nfs/dbraw/zinc/01/07/00/137010700.db2.gz HCOYNLMEUIYODM-HNNXBMFYSA-N 2 2 289.379 0.223 10 0 CCAELP CN1CC[NH2+]C[C@H]1c1noc(Cc2cn3ccccc3[nH+]2)n1 ZINC000263116776 137058953 /nfs/dbraw/zinc/05/89/53/137058953.db2.gz AQTFIFFMHGHBJS-LBPRGKRZSA-N 2 2 298.350 0.884 10 0 CCAELP COC(=O)c1ccc(Cl)c(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)c1 ZINC000263155739 137059076 /nfs/dbraw/zinc/05/90/76/137059076.db2.gz DKGVPNQVAADRHQ-AAEUAGOBSA-N 2 2 298.770 0.797 10 0 CCAELP O=C(C1C[NH2+]C1)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000262189657 137030230 /nfs/dbraw/zinc/03/02/30/137030230.db2.gz FWZBIHGOOPUWHC-OAHLLOKOSA-N 2 2 289.379 0.084 10 0 CCAELP O[C@@H]1C[NH2+]C[C@H](Oc2ccccc2)[C@H]1c1c[nH]c[nH+]1 ZINC000038476287 348227201 /nfs/dbraw/zinc/22/72/01/348227201.db2.gz URDVGFOVWHMGHT-RDBSUJKOSA-N 2 2 259.309 0.905 10 0 CCAELP CN(C)c1ccc(C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1 ZINC000124341417 350096280 /nfs/dbraw/zinc/09/62/80/350096280.db2.gz YSKCVCJSPGEFBT-CQSZACIVSA-N 2 2 276.384 0.468 10 0 CCAELP CN(C)c1ccc(C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1 ZINC000124341417 350096283 /nfs/dbraw/zinc/09/62/83/350096283.db2.gz YSKCVCJSPGEFBT-CQSZACIVSA-N 2 2 276.384 0.468 10 0 CCAELP O=C(C[C@@H]1CSCC[NH2+]1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000091291302 180122639 /nfs/dbraw/zinc/12/26/39/180122639.db2.gz RFZRPNZNXJIIAD-CHWSQXEVSA-N 2 2 299.440 0.015 10 0 CCAELP CCOC(=O)c1cnc(N2CC[N@H+](C)C[C@@H]2C[NH3+])nc1C ZINC000134318325 350360798 /nfs/dbraw/zinc/36/07/98/350360798.db2.gz JIGXSPLVTQFWGV-NSHDSACASA-N 2 2 293.371 0.041 10 0 CCAELP CCOC(=O)c1cnc(N2CC[N@@H+](C)C[C@@H]2C[NH3+])nc1C ZINC000134318325 350360799 /nfs/dbraw/zinc/36/07/99/350360799.db2.gz JIGXSPLVTQFWGV-NSHDSACASA-N 2 2 293.371 0.041 10 0 CCAELP CN(Cc1[nH+]ccn1C)C(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000133280823 350330913 /nfs/dbraw/zinc/33/09/13/350330913.db2.gz BIPPCTOJJCKGRP-CYBMUJFWSA-N 2 2 250.346 0.911 10 0 CCAELP CC(C)NC(=O)C[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000176525658 351178424 /nfs/dbraw/zinc/17/84/24/351178424.db2.gz SMELUKGLWSHPSY-OAHLLOKOSA-N 2 2 296.459 0.613 10 0 CCAELP C[C@H](C(=O)NC1CCCC1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193656418 351839749 /nfs/dbraw/zinc/83/97/49/351839749.db2.gz SHKIRFBORFLBEM-UPJWGTAASA-N 2 2 265.401 0.927 10 0 CCAELP C[C@H](C(=O)NC1CCCC1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193656418 351839753 /nfs/dbraw/zinc/83/97/53/351839753.db2.gz SHKIRFBORFLBEM-UPJWGTAASA-N 2 2 265.401 0.927 10 0 CCAELP C[C@H](C(=O)NC1CCCC1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193656418 351839756 /nfs/dbraw/zinc/83/97/56/351839756.db2.gz SHKIRFBORFLBEM-UPJWGTAASA-N 2 2 265.401 0.927 10 0 CCAELP C[C@H](C(=O)NC1CCCC1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193656418 351839758 /nfs/dbraw/zinc/83/97/58/351839758.db2.gz SHKIRFBORFLBEM-UPJWGTAASA-N 2 2 265.401 0.927 10 0 CCAELP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1COCC[NH2+]1 ZINC000246289318 352360218 /nfs/dbraw/zinc/36/02/18/352360218.db2.gz NESDDDXBZIHKSD-FRRDWIJNSA-N 2 2 269.389 0.211 10 0 CCAELP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1COCC[NH2+]1 ZINC000246289318 352360222 /nfs/dbraw/zinc/36/02/22/352360222.db2.gz NESDDDXBZIHKSD-FRRDWIJNSA-N 2 2 269.389 0.211 10 0 CCAELP C[C@@H]1C[N@H+](CCN2CC[NH+]3CCC[C@H]3C2)CCO1 ZINC000248650253 352451924 /nfs/dbraw/zinc/45/19/24/352451924.db2.gz LXCSKUNCHUSAKG-KGLIPLIRSA-N 2 2 253.390 0.487 10 0 CCAELP C[C@@H]1C[N@@H+](CCN2CC[NH+]3CCC[C@H]3C2)CCO1 ZINC000248650253 352451931 /nfs/dbraw/zinc/45/19/31/352451931.db2.gz LXCSKUNCHUSAKG-KGLIPLIRSA-N 2 2 253.390 0.487 10 0 CCAELP C[C@@H]1C[NH+](CCN2CC[N@@H+]3CCC[C@H]3C2)CCO1 ZINC000248650253 352451934 /nfs/dbraw/zinc/45/19/34/352451934.db2.gz LXCSKUNCHUSAKG-KGLIPLIRSA-N 2 2 253.390 0.487 10 0 CCAELP C[C@@H]1C[NH+](CCN2CC[N@H+]3CCC[C@H]3C2)CCO1 ZINC000248650253 352451937 /nfs/dbraw/zinc/45/19/37/352451937.db2.gz LXCSKUNCHUSAKG-KGLIPLIRSA-N 2 2 253.390 0.487 10 0 CCAELP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](C(=O)OC)C1 ZINC000310747581 354191651 /nfs/dbraw/zinc/19/16/51/354191651.db2.gz JFJQHXNUSFQRFA-NEPJUHHUSA-N 2 2 258.362 0.184 10 0 CCAELP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](C(=O)OC)C1 ZINC000310747581 354191653 /nfs/dbraw/zinc/19/16/53/354191653.db2.gz JFJQHXNUSFQRFA-NEPJUHHUSA-N 2 2 258.362 0.184 10 0 CCAELP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](C(=O)OC)C1 ZINC000310747581 354191655 /nfs/dbraw/zinc/19/16/55/354191655.db2.gz JFJQHXNUSFQRFA-NEPJUHHUSA-N 2 2 258.362 0.184 10 0 CCAELP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](C(=O)OC)C1 ZINC000310747581 354191656 /nfs/dbraw/zinc/19/16/56/354191656.db2.gz JFJQHXNUSFQRFA-NEPJUHHUSA-N 2 2 258.362 0.184 10 0 CCAELP CC[N@H+](CC(=O)N1CCN(C)[C@H](c2[nH]cc[nH+]2)C1)C1CC1 ZINC000328629816 354242272 /nfs/dbraw/zinc/24/22/72/354242272.db2.gz PEYOFBYNAPQWOU-ZDUSSCGKSA-N 2 2 291.399 0.709 10 0 CCAELP CC[N@@H+](CC(=O)N1CCN(C)[C@H](c2[nH]cc[nH+]2)C1)C1CC1 ZINC000328629816 354242274 /nfs/dbraw/zinc/24/22/74/354242274.db2.gz PEYOFBYNAPQWOU-ZDUSSCGKSA-N 2 2 291.399 0.709 10 0 CCAELP C[N@H+](C[C@H](O)CN1CCn2cc[nH+]c2C1)C1CC1 ZINC000336792177 355164975 /nfs/dbraw/zinc/16/49/75/355164975.db2.gz QXSWFWZWCMDACW-LBPRGKRZSA-N 2 2 250.346 0.154 10 0 CCAELP C[N@@H+](C[C@H](O)CN1CCn2cc[nH+]c2C1)C1CC1 ZINC000336792177 355164978 /nfs/dbraw/zinc/16/49/78/355164978.db2.gz QXSWFWZWCMDACW-LBPRGKRZSA-N 2 2 250.346 0.154 10 0 CCAELP COC[C@@H]([NH3+])C(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000396377705 357762241 /nfs/dbraw/zinc/76/22/41/357762241.db2.gz PBCHHKOASZMNQW-DZGCQCFKSA-N 2 2 291.395 0.693 10 0 CCAELP COC[C@@H]([NH3+])C(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000396377705 357762246 /nfs/dbraw/zinc/76/22/46/357762246.db2.gz PBCHHKOASZMNQW-DZGCQCFKSA-N 2 2 291.395 0.693 10 0 CCAELP C[C@H](CNc1cc[nH+]cc1C(N)=O)[N@@H+]1CCOC[C@@H]1C ZINC000302032754 201310477 /nfs/dbraw/zinc/31/04/77/201310477.db2.gz NWUQOMPXJSQXQH-MNOVXSKESA-N 2 2 278.356 0.702 10 0 CCAELP C[C@H](CNc1cc[nH+]cc1C(N)=O)[N@H+]1CCOC[C@@H]1C ZINC000302032754 201310481 /nfs/dbraw/zinc/31/04/81/201310481.db2.gz NWUQOMPXJSQXQH-MNOVXSKESA-N 2 2 278.356 0.702 10 0 CCAELP [NH3+]CC[N@@H+]1CCOCC[C@H]1c1ccccc1CCO ZINC000616598655 365379044 /nfs/dbraw/zinc/37/90/44/365379044.db2.gz SMBXNQBYEWSEBR-HNNXBMFYSA-N 2 2 264.369 0.944 10 0 CCAELP [NH3+]CC[N@H+]1CCOCC[C@H]1c1ccccc1CCO ZINC000616598655 365379050 /nfs/dbraw/zinc/37/90/50/365379050.db2.gz SMBXNQBYEWSEBR-HNNXBMFYSA-N 2 2 264.369 0.944 10 0 CCAELP CCc1nnc(C[N@H+](C)CCOCC[NH2+]C)n1C ZINC000629572356 369717622 /nfs/dbraw/zinc/71/76/22/369717622.db2.gz QYEHHWSWEHFBAV-UHFFFAOYSA-N 2 2 255.366 0.045 10 0 CCAELP CCc1nnc(C[N@@H+](C)CCOCC[NH2+]C)n1C ZINC000629572356 369717628 /nfs/dbraw/zinc/71/76/28/369717628.db2.gz QYEHHWSWEHFBAV-UHFFFAOYSA-N 2 2 255.366 0.045 10 0 CCAELP CO[C@@H]1C[N@H+](CCCc2c[nH+]cn2C)[C@@](C)(C[NH3+])C1 ZINC000630369622 370071039 /nfs/dbraw/zinc/07/10/39/370071039.db2.gz WZPRJMDZYVEBRN-UONOGXRCSA-N 3 2 266.389 0.791 10 0 CCAELP CO[C@@H]1C[N@@H+](CCCc2c[nH+]cn2C)[C@@](C)(C[NH3+])C1 ZINC000630369622 370071041 /nfs/dbraw/zinc/07/10/41/370071041.db2.gz WZPRJMDZYVEBRN-UONOGXRCSA-N 3 2 266.389 0.791 10 0 CCAELP C[NH2+]CCOCCN(C)c1[nH+]cnc2c1cnn2C ZINC000630528055 370146858 /nfs/dbraw/zinc/14/68/58/370146858.db2.gz DMNDUPSNLUPFQA-UHFFFAOYSA-N 2 2 264.333 0.036 10 0 CCAELP C(N1CC[C@H]([NH+]2CCOCC2)C1)C12CC(C1)C[NH2+]2 ZINC000634992050 372327763 /nfs/dbraw/zinc/32/77/63/372327763.db2.gz ATPRCEDYMPMLLI-MOKVOYLWSA-N 2 2 251.374 0.145 10 0 CCAELP C([N@@H+]1CC[C@H](N2CCOCC2)C1)C12CC(C1)C[NH2+]2 ZINC000634992050 372327772 /nfs/dbraw/zinc/32/77/72/372327772.db2.gz ATPRCEDYMPMLLI-MOKVOYLWSA-N 2 2 251.374 0.145 10 0 CCAELP C([N@H+]1CC[C@H](N2CCOCC2)C1)C12CC(C1)C[NH2+]2 ZINC000634992050 372327779 /nfs/dbraw/zinc/32/77/79/372327779.db2.gz ATPRCEDYMPMLLI-MOKVOYLWSA-N 2 2 251.374 0.145 10 0 CCAELP C[NH+](C)Cc1nc([C@H]2C[N@@H+]3CCC[C@@H]3CO2)no1 ZINC000333153067 205075460 /nfs/dbraw/zinc/07/54/60/205075460.db2.gz GZCCEWKMCQOHTD-NXEZZACHSA-N 2 2 252.318 0.667 10 0 CCAELP C[NH+](C)Cc1nc([C@H]2C[N@H+]3CCC[C@@H]3CO2)no1 ZINC000333153067 205075464 /nfs/dbraw/zinc/07/54/64/205075464.db2.gz GZCCEWKMCQOHTD-NXEZZACHSA-N 2 2 252.318 0.667 10 0 CCAELP OC[C@@H]1CCCN1c1cc(N[C@@H]2CCC[NH2+]C2)nc[nH+]1 ZINC000333499389 205378941 /nfs/dbraw/zinc/37/89/41/205378941.db2.gz HQKJAPBDRCJPGC-NEPJUHHUSA-N 2 2 277.372 0.602 10 0 CCAELP C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CCn2cc[nH+]c2C1 ZINC000637380551 374129954 /nfs/dbraw/zinc/12/99/54/374129954.db2.gz ZAAVOBFOOFDZCP-CHWSQXEVSA-N 2 2 291.399 0.839 10 0 CCAELP C[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CCn2cc[nH+]c2C1 ZINC000637380551 374129959 /nfs/dbraw/zinc/12/99/59/374129959.db2.gz ZAAVOBFOOFDZCP-CHWSQXEVSA-N 2 2 291.399 0.839 10 0 CCAELP CC(C)CC[C@H]([NH3+])C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000638075077 374631152 /nfs/dbraw/zinc/63/11/52/374631152.db2.gz QGJWOKIUAZKNDL-KGLIPLIRSA-N 2 2 283.416 0.683 10 0 CCAELP CC(C)CC[C@@H]([NH3+])C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000638075078 374631455 /nfs/dbraw/zinc/63/14/55/374631455.db2.gz QGJWOKIUAZKNDL-UONOGXRCSA-N 2 2 283.416 0.683 10 0 CCAELP C[C@H]1CN(C(=O)Cc2cn3ccccc3[nH+]2)C[C@@H]1C[NH3+] ZINC000638892577 375430757 /nfs/dbraw/zinc/43/07/57/375430757.db2.gz JPOTYYLAIGGQMV-RYUDHWBXSA-N 2 2 272.352 0.930 10 0 CCAELP C[C@@H]1C[NH2+]CCN1C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000334968766 207384731 /nfs/dbraw/zinc/38/47/31/207384731.db2.gz VNSUIBPYILACCP-NXEZZACHSA-N 2 2 276.331 0.235 10 0 CCAELP C[C@H](O)C[N@@H+]1CCN(Cc2c[nH+]cn2C)C[C@@H]1C ZINC000246614656 285026992 /nfs/dbraw/zinc/02/69/92/285026992.db2.gz YIRDBWBCHZQIFJ-RYUDHWBXSA-N 2 2 252.362 0.307 10 0 CCAELP C[C@H](O)C[N@H+]1CCN(Cc2c[nH+]cn2C)C[C@@H]1C ZINC000246614656 285026993 /nfs/dbraw/zinc/02/69/93/285026993.db2.gz YIRDBWBCHZQIFJ-RYUDHWBXSA-N 2 2 252.362 0.307 10 0 CCAELP O=C1NCC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000657523298 413016614 /nfs/dbraw/zinc/01/66/14/413016614.db2.gz QBCZDXFNHUUGGQ-CYBMUJFWSA-N 2 2 256.309 0.850 10 0 CCAELP CC(C)NC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193633561 389075226 /nfs/dbraw/zinc/07/52/26/389075226.db2.gz KOCGJFLHARGLJR-UTUOFQBUSA-N 2 2 282.388 0.103 10 0 CCAELP CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193633561 389075229 /nfs/dbraw/zinc/07/52/29/389075229.db2.gz KOCGJFLHARGLJR-UTUOFQBUSA-N 2 2 282.388 0.103 10 0 CCAELP CC(C)NC(=O)NC(=O)[C@@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193633561 389075231 /nfs/dbraw/zinc/07/52/31/389075231.db2.gz KOCGJFLHARGLJR-UTUOFQBUSA-N 2 2 282.388 0.103 10 0 CCAELP CC(C)NC(=O)NC(=O)[C@@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193633561 389075233 /nfs/dbraw/zinc/07/52/33/389075233.db2.gz KOCGJFLHARGLJR-UTUOFQBUSA-N 2 2 282.388 0.103 10 0 CCAELP CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193635527 389075656 /nfs/dbraw/zinc/07/56/56/389075656.db2.gz VAGFOTUNAZKDQV-RWMBFGLXSA-N 2 2 296.415 0.350 10 0 CCAELP CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193635527 389075659 /nfs/dbraw/zinc/07/56/59/389075659.db2.gz VAGFOTUNAZKDQV-RWMBFGLXSA-N 2 2 296.415 0.350 10 0 CCAELP CC(C)CNC(=O)NC(=O)[C@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193635527 389075662 /nfs/dbraw/zinc/07/56/62/389075662.db2.gz VAGFOTUNAZKDQV-RWMBFGLXSA-N 2 2 296.415 0.350 10 0 CCAELP CC(C)CNC(=O)NC(=O)[C@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193635527 389075663 /nfs/dbraw/zinc/07/56/63/389075663.db2.gz VAGFOTUNAZKDQV-RWMBFGLXSA-N 2 2 296.415 0.350 10 0 CCAELP CCOC(=O)CC[C@@H](O)C[NH2+][C@H]1CC[N@H+](CC)C1 ZINC000389384045 389771612 /nfs/dbraw/zinc/77/16/12/389771612.db2.gz YDNRMVZUTKJDDR-NWDGAFQWSA-N 2 2 258.362 0.374 10 0 CCAELP CCOC(=O)CC[C@@H](O)C[NH2+][C@H]1CC[N@@H+](CC)C1 ZINC000389384045 389771617 /nfs/dbraw/zinc/77/16/17/389771617.db2.gz YDNRMVZUTKJDDR-NWDGAFQWSA-N 2 2 258.362 0.374 10 0 CCAELP CCn1cc[nH+]c1CN1C(=O)N[C@]2(CCC[NH2+]C2)C1=O ZINC000566182996 390592786 /nfs/dbraw/zinc/59/27/86/390592786.db2.gz NNDBWANKQMVIFW-ZDUSSCGKSA-N 2 2 277.328 0.077 10 0 CCAELP CCc1nc(N2CCO[C@H]([C@H](C)[NH3+])C2)cc(C)[nH+]1 ZINC000385517405 397498898 /nfs/dbraw/zinc/49/88/98/397498898.db2.gz YHOYDANXKBYFNW-QWRGUYRKSA-N 2 2 250.346 0.900 10 0 CCAELP C[N@@H+]1CCO[C@H]2CN(c3nc[nH+]c(N)c3Cl)C[C@@H]21 ZINC000408394375 397523746 /nfs/dbraw/zinc/52/37/46/397523746.db2.gz PRJMSNQIBAGTHY-YUMQZZPRSA-N 2 2 269.736 0.231 10 0 CCAELP C[N@H+]1CCO[C@H]2CN(c3nc[nH+]c(N)c3Cl)C[C@@H]21 ZINC000408394375 397523751 /nfs/dbraw/zinc/52/37/51/397523751.db2.gz PRJMSNQIBAGTHY-YUMQZZPRSA-N 2 2 269.736 0.231 10 0 CCAELP Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CC[NH2+]C3)C2)nn1 ZINC000333249898 292133928 /nfs/dbraw/zinc/13/39/28/292133928.db2.gz GNELXOKFOGVHPX-OLZOCXBDSA-N 2 2 261.373 0.705 10 0 CCAELP CC[N@H+](C)C[C@H](O)C[NH+]1CCO[C@H]2CCCC[C@H]21 ZINC000311147095 411749828 /nfs/dbraw/zinc/74/98/28/411749828.db2.gz MIMLQLQDGJTKCM-MJBXVCDLSA-N 2 2 256.390 0.942 10 0 CCAELP CC[N@@H+](C)C[C@H](O)C[NH+]1CCO[C@H]2CCCC[C@H]21 ZINC000311147095 411749831 /nfs/dbraw/zinc/74/98/31/411749831.db2.gz MIMLQLQDGJTKCM-MJBXVCDLSA-N 2 2 256.390 0.942 10 0 CCAELP CC[NH+](C)C[C@H](O)C[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000311147095 411749834 /nfs/dbraw/zinc/74/98/34/411749834.db2.gz MIMLQLQDGJTKCM-MJBXVCDLSA-N 2 2 256.390 0.942 10 0 CCAELP CC[NH+](C)C[C@H](O)C[N@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000311147095 411749837 /nfs/dbraw/zinc/74/98/37/411749837.db2.gz MIMLQLQDGJTKCM-MJBXVCDLSA-N 2 2 256.390 0.942 10 0 CCAELP OCC[NH2+]CC[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000020876140 171277717 /nfs/dbraw/zinc/27/77/17/171277717.db2.gz JXEYXEFYKRPZJO-UHFFFAOYSA-N 2 2 252.314 0.129 10 0 CCAELP C[N@H+](CC(=O)N1CC[NH2+]CC1)[C@@H]1COc2cc(O)ccc21 ZINC000038030943 174023615 /nfs/dbraw/zinc/02/36/15/174023615.db2.gz BUVXLLJHVGQHGO-CYBMUJFWSA-N 2 2 291.351 0.189 10 0 CCAELP C[N@@H+](CC(=O)N1CC[NH2+]CC1)[C@@H]1COc2cc(O)ccc21 ZINC000038030943 174023616 /nfs/dbraw/zinc/02/36/16/174023616.db2.gz BUVXLLJHVGQHGO-CYBMUJFWSA-N 2 2 291.351 0.189 10 0 CCAELP O=C(NC[C@@H]1CCCOC1)[C@@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000038046131 174054741 /nfs/dbraw/zinc/05/47/41/174054741.db2.gz NCEMPNLMAYWFLU-ZFWWWQNUSA-N 2 2 295.427 0.746 10 0 CCAELP O=C(NC[C@@H]1CCCOC1)[C@@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000038046131 174054743 /nfs/dbraw/zinc/05/47/43/174054743.db2.gz NCEMPNLMAYWFLU-ZFWWWQNUSA-N 2 2 295.427 0.746 10 0 CCAELP O=C(N[C@H]1C[C@H]2C[C@@H]1C[NH2+]2)c1cc2[nH+]ccn2cn1 ZINC000039073356 174162522 /nfs/dbraw/zinc/16/25/22/174162522.db2.gz LWZZVWDUESWLSQ-BBBLOLIVSA-N 2 2 257.297 0.210 10 0 CCAELP CCNc1[nH+]cnc(NCC[NH+]2CCOCC2)c1N ZINC000040707530 174380465 /nfs/dbraw/zinc/38/04/65/174380465.db2.gz KHBDDDPEXPDRDE-UHFFFAOYSA-N 2 2 266.349 0.235 10 0 CCAELP COc1cc[nH+]c(CN2CCO[C@@H]3C[NH2+]C[C@@H]32)c1OC ZINC000662281963 414705603 /nfs/dbraw/zinc/70/56/03/414705603.db2.gz AGHQMCKVJIZGPV-WCQYABFASA-N 2 2 279.340 0.271 10 0 CCAELP COCC[N@@H+](CCC(N)=[NH2+])CCn1cc[nH+]c1C ZINC000071228922 176090996 /nfs/dbraw/zinc/09/09/96/176090996.db2.gz BNRHZIWTPGDUDU-UHFFFAOYSA-N 3 2 253.350 0.466 10 0 CCAELP COCC[N@H+](CCC(N)=[NH2+])CCn1cc[nH+]c1C ZINC000071228922 176090998 /nfs/dbraw/zinc/09/09/98/176090998.db2.gz BNRHZIWTPGDUDU-UHFFFAOYSA-N 3 2 253.350 0.466 10 0 CCAELP CC(C)C[NH+]1CCN(C2CC[NH+](CC[NH3+])CC2)CC1 ZINC000725273779 545889382 /nfs/dbraw/zinc/88/93/82/545889382.db2.gz FAAPRGXBLFKGMZ-UHFFFAOYSA-N 3 2 268.449 0.683 10 0 CCAELP C[NH+](C)CCOc1cccc(NC(=O)[C@@H]2COCC[NH2+]2)c1 ZINC000088358821 544505994 /nfs/dbraw/zinc/50/59/94/544505994.db2.gz KHDOSJGSXNOZEU-AWEZNQCLSA-N 2 2 293.367 0.554 10 0 CCAELP C[N@@H+]1CCc2nc[nH]c2C12CCN(c1nc(N)cc[nH+]1)CC2 ZINC000092065101 544529137 /nfs/dbraw/zinc/52/91/37/544529137.db2.gz JTCVAESNCVWMDR-UHFFFAOYSA-N 2 2 299.382 0.766 10 0 CCAELP COc1c(C[N@H+](C)CCN2CC[NH2+]CC2)c(C)nn1C ZINC000158496113 544689631 /nfs/dbraw/zinc/68/96/31/544689631.db2.gz WCFAAKZEGGEFOW-UHFFFAOYSA-N 2 2 281.404 0.074 10 0 CCAELP COc1c(C[N@@H+](C)CCN2CC[NH2+]CC2)c(C)nn1C ZINC000158496113 544689633 /nfs/dbraw/zinc/68/96/33/544689633.db2.gz WCFAAKZEGGEFOW-UHFFFAOYSA-N 2 2 281.404 0.074 10 0 CCAELP COc1c(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c(C)nn1C ZINC000162957287 544714243 /nfs/dbraw/zinc/71/42/43/544714243.db2.gz ITYHBVJOBOLGLA-QWRGUYRKSA-N 2 2 250.346 0.388 10 0 CCAELP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCCC[NH+](C)C)C2 ZINC000220583580 544815562 /nfs/dbraw/zinc/81/55/62/544815562.db2.gz DPGOHYYRNPERHT-LLVKDONJSA-N 2 2 264.373 0.891 10 0 CCAELP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)NCCC[NH+](C)C)CC2 ZINC000220583580 544815566 /nfs/dbraw/zinc/81/55/66/544815566.db2.gz DPGOHYYRNPERHT-LLVKDONJSA-N 2 2 264.373 0.891 10 0 CCAELP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(Br)cn1 ZINC000262129399 544940664 /nfs/dbraw/zinc/94/06/64/544940664.db2.gz NQEXQUZOXLPLCR-KCJUWKMLSA-N 2 2 286.173 0.514 10 0 CCAELP CC1(C)C[N@H+](CCNC(=O)N[C@@H]2CCCC[NH2+]C2)CCO1 ZINC000333826289 545043358 /nfs/dbraw/zinc/04/33/58/545043358.db2.gz RYISZHVWEGOQKS-CYBMUJFWSA-N 2 2 298.431 0.539 10 0 CCAELP CC1(C)C[N@@H+](CCNC(=O)N[C@@H]2CCCC[NH2+]C2)CCO1 ZINC000333826289 545043360 /nfs/dbraw/zinc/04/33/60/545043360.db2.gz RYISZHVWEGOQKS-CYBMUJFWSA-N 2 2 298.431 0.539 10 0 CCAELP [NH3+]C1(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)CCCCC1 ZINC000062976790 279614739 /nfs/dbraw/zinc/61/47/39/279614739.db2.gz DIMUFUZLHHFQBX-CYBMUJFWSA-N 2 2 281.400 0.581 10 0 CCAELP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC000245464186 288311096 /nfs/dbraw/zinc/31/10/96/288311096.db2.gz PFFKLEVJAVOEOD-FRRDWIJNSA-N 2 2 267.373 0.012 10 0 CCAELP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC000245464186 288311098 /nfs/dbraw/zinc/31/10/98/288311098.db2.gz PFFKLEVJAVOEOD-FRRDWIJNSA-N 2 2 267.373 0.012 10 0 CCAELP C[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000245464186 288311100 /nfs/dbraw/zinc/31/11/00/288311100.db2.gz PFFKLEVJAVOEOD-FRRDWIJNSA-N 2 2 267.373 0.012 10 0 CCAELP C[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000245464186 288311102 /nfs/dbraw/zinc/31/11/02/288311102.db2.gz PFFKLEVJAVOEOD-FRRDWIJNSA-N 2 2 267.373 0.012 10 0 CCAELP C[C@@H]1C[N@H+](CCN2C[C@@H]3CCC[NH+]3C[C@H]2C)CCO1 ZINC000249279746 297004753 /nfs/dbraw/zinc/00/47/53/297004753.db2.gz MFGCCQBYNLZCKZ-KFWWJZLASA-N 2 2 267.417 0.876 10 0 CCAELP C[C@@H]1C[N@@H+](CCN2C[C@@H]3CCC[NH+]3C[C@H]2C)CCO1 ZINC000249279746 297004754 /nfs/dbraw/zinc/00/47/54/297004754.db2.gz MFGCCQBYNLZCKZ-KFWWJZLASA-N 2 2 267.417 0.876 10 0 CCAELP C[C@@H]1C[NH+](CCN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)CCO1 ZINC000249279746 297004755 /nfs/dbraw/zinc/00/47/55/297004755.db2.gz MFGCCQBYNLZCKZ-KFWWJZLASA-N 2 2 267.417 0.876 10 0 CCAELP C[C@@H]1C[NH+](CCN2C[C@@H]3CCC[N@H+]3C[C@H]2C)CCO1 ZINC000249279746 297004756 /nfs/dbraw/zinc/00/47/56/297004756.db2.gz MFGCCQBYNLZCKZ-KFWWJZLASA-N 2 2 267.417 0.876 10 0 CCAELP COc1cc(C[NH2+]C2CC[NH+](CCO)CC2)sn1 ZINC000399218171 545089303 /nfs/dbraw/zinc/08/93/03/545089303.db2.gz TUMNBLBQVAVOGG-UHFFFAOYSA-N 2 2 271.386 0.698 10 0 CCAELP CCC[NH2+][C@H](CC[N@@H+]1C[C@H](C)OC(C)(C)C1)C(N)=O ZINC000062527774 520076822 /nfs/dbraw/zinc/07/68/22/520076822.db2.gz TUBWSHKPDCSEQH-NWDGAFQWSA-N 2 2 271.405 0.729 10 0 CCAELP CCC[NH2+][C@H](CC[N@H+]1C[C@H](C)OC(C)(C)C1)C(N)=O ZINC000062527774 520076834 /nfs/dbraw/zinc/07/68/34/520076834.db2.gz TUBWSHKPDCSEQH-NWDGAFQWSA-N 2 2 271.405 0.729 10 0 CCAELP CCOC(=O)[C@](C)([NH3+])CN1CC[NH+]([C@@H](C)CC)CC1 ZINC000055070690 521327099 /nfs/dbraw/zinc/32/70/99/521327099.db2.gz POQWEDWIOCYLRN-GXTWGEPZSA-N 2 2 271.405 0.683 10 0 CCAELP CC[C@@H](C)[C@@H](C[NH3+])[NH+]1CCN(CC[NH+](C)C)CC1 ZINC000061643117 522299734 /nfs/dbraw/zinc/29/97/34/522299734.db2.gz GHVAXYOMYSZWGN-ZIAGYGMSSA-N 3 2 256.438 0.539 10 0 CCAELP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](CCO)CC2)CC[N@@H+]1C ZINC000398959563 581206512 /nfs/dbraw/zinc/20/65/12/581206512.db2.gz LJIPIARBAGSTOE-JSGCOSHPSA-N 3 2 255.406 0.515 10 0 CCAELP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](CCO)CC2)CC[N@H+]1C ZINC000398959563 581206515 /nfs/dbraw/zinc/20/65/15/581206515.db2.gz LJIPIARBAGSTOE-JSGCOSHPSA-N 3 2 255.406 0.515 10 0 CCAELP C[C@H]1C[C@@H](NC2CC[NH+](CCO)CC2)CC[N@@H+]1C ZINC000398959563 581206518 /nfs/dbraw/zinc/20/65/18/581206518.db2.gz LJIPIARBAGSTOE-JSGCOSHPSA-N 2 2 255.406 0.515 10 0 CCAELP C[C@H]1C[C@@H](NC2CC[NH+](CCO)CC2)CC[N@H+]1C ZINC000398959563 581206520 /nfs/dbraw/zinc/20/65/20/581206520.db2.gz LJIPIARBAGSTOE-JSGCOSHPSA-N 2 2 255.406 0.515 10 0 CCAELP OCC[NH+]1CCC([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000399016281 581207073 /nfs/dbraw/zinc/20/70/73/581207073.db2.gz DHLHUUZNZZXSCJ-HUUCEWRRSA-N 3 2 267.417 0.660 10 0 CCAELP OCC[NH+]1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000399016281 581207075 /nfs/dbraw/zinc/20/70/75/581207075.db2.gz DHLHUUZNZZXSCJ-HUUCEWRRSA-N 3 2 267.417 0.660 10 0 CCAELP C[N@H+](CCO)[C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)[NH2+]C1 ZINC000757134603 581940403 /nfs/dbraw/zinc/94/04/03/581940403.db2.gz OAZABYVOFLMQIM-RYUDHWBXSA-N 2 2 287.404 0.556 10 0 CCAELP C[N@@H+](CCO)[C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)[NH2+]C1 ZINC000757134603 581940405 /nfs/dbraw/zinc/94/04/05/581940405.db2.gz OAZABYVOFLMQIM-RYUDHWBXSA-N 2 2 287.404 0.556 10 0 CCAELP CO[C@@H]1CC[N@@H+]([C@H]2CCC[C@H]2[NH2+]CCN2CCNC2=O)C1 ZINC000886082567 616657094 /nfs/dbraw/zinc/65/70/94/616657094.db2.gz PCTJENWFRSYXMK-MCIONIFRSA-N 2 2 296.415 0.243 10 0 CCAELP CO[C@@H]1CC[N@H+]([C@H]2CCC[C@H]2[NH2+]CCN2CCNC2=O)C1 ZINC000886082567 616657096 /nfs/dbraw/zinc/65/70/96/616657096.db2.gz PCTJENWFRSYXMK-MCIONIFRSA-N 2 2 296.415 0.243 10 0 CCAELP C[N@@H+]1CCO[C@@H](CNC(=O)NCC[NH+]2CCCCC2)C1 ZINC000105064883 349720303 /nfs/dbraw/zinc/72/03/03/349720303.db2.gz BHGMFMRLKQXFBX-ZDUSSCGKSA-N 2 2 284.404 0.102 10 0 CCAELP C[N@H+]1CCO[C@@H](CNC(=O)NCC[NH+]2CCCCC2)C1 ZINC000105064883 349720306 /nfs/dbraw/zinc/72/03/06/349720306.db2.gz BHGMFMRLKQXFBX-ZDUSSCGKSA-N 2 2 284.404 0.102 10 0 CCAELP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]2C[NH+](C)CCO2)C1 ZINC000105174474 349721209 /nfs/dbraw/zinc/72/12/09/349721209.db2.gz ONDONLHCKSROFE-QWHCGFSZSA-N 2 2 284.404 0.101 10 0 CCAELP CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H]2C[NH+](C)CCO2)C1 ZINC000105174474 349721211 /nfs/dbraw/zinc/72/12/11/349721211.db2.gz ONDONLHCKSROFE-QWHCGFSZSA-N 2 2 284.404 0.101 10 0 CCAELP CC[NH+]1CCC[C@H](NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000105174474 349721217 /nfs/dbraw/zinc/72/12/17/349721217.db2.gz ONDONLHCKSROFE-QWHCGFSZSA-N 2 2 284.404 0.101 10 0 CCAELP COc1c(C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)c(C)nn1C ZINC000252893933 137004407 /nfs/dbraw/zinc/00/44/07/137004407.db2.gz SBBGHMMNHGYLQD-STQMWFEESA-N 2 2 294.399 0.690 10 0 CCAELP COc1ccc(CNC(=O)C2CC[NH+](CC[NH3+])CC2)cc1 ZINC000263066571 137057669 /nfs/dbraw/zinc/05/76/69/137057669.db2.gz WBGSONXCOCUKKF-UHFFFAOYSA-N 2 2 291.395 0.982 10 0 CCAELP Cn1c(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)nc2ccccc21 ZINC000263228116 137060977 /nfs/dbraw/zinc/06/09/77/137060977.db2.gz NBXJCKJDGDXWPI-ZWNOBZJWSA-N 2 2 260.341 0.243 10 0 CCAELP C[NH+](C)CCOc1cccc(NC(=O)[C@H]2COCC[NH2+]2)c1 ZINC000088358822 349361928 /nfs/dbraw/zinc/36/19/28/349361928.db2.gz KHDOSJGSXNOZEU-CQSZACIVSA-N 2 2 293.367 0.554 10 0 CCAELP C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2C[NH+](C)CCO2)C[N@@H+]1C1CC1 ZINC000124914491 350110428 /nfs/dbraw/zinc/11/04/28/350110428.db2.gz PKOFCGGOPMTVFY-YRGRVCCFSA-N 2 2 296.415 0.241 10 0 CCAELP C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2C[NH+](C)CCO2)C[N@H+]1C1CC1 ZINC000124914491 350110430 /nfs/dbraw/zinc/11/04/30/350110430.db2.gz PKOFCGGOPMTVFY-YRGRVCCFSA-N 2 2 296.415 0.241 10 0 CCAELP C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2C[N@H+](C)CCO2)C[NH+]1C1CC1 ZINC000124914491 350110435 /nfs/dbraw/zinc/11/04/35/350110435.db2.gz PKOFCGGOPMTVFY-YRGRVCCFSA-N 2 2 296.415 0.241 10 0 CCAELP C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)C[NH+]1C1CC1 ZINC000124914491 350110440 /nfs/dbraw/zinc/11/04/40/350110440.db2.gz PKOFCGGOPMTVFY-YRGRVCCFSA-N 2 2 296.415 0.241 10 0 CCAELP CC(C)(C(=O)NCCCn1cc[nH+]c1)N1CC[NH2+]CC1 ZINC000129599412 350217991 /nfs/dbraw/zinc/21/79/91/350217991.db2.gz DONVUIRCCVJHAU-UHFFFAOYSA-N 2 2 279.388 0.073 10 0 CCAELP CC[N@@H+]1CCC[C@H]1CN(C)c1nc[nH+]c(N)c1OC ZINC000134918212 350379409 /nfs/dbraw/zinc/37/94/09/350379409.db2.gz ZELBHVULOQRGJE-JTQLQIEISA-N 2 2 265.361 0.988 10 0 CCAELP CC[N@H+]1CCC[C@H]1CN(C)c1nc[nH+]c(N)c1OC ZINC000134918212 350379412 /nfs/dbraw/zinc/37/94/12/350379412.db2.gz ZELBHVULOQRGJE-JTQLQIEISA-N 2 2 265.361 0.988 10 0 CCAELP COc1c(N)[nH+]cnc1N1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000134927263 350380322 /nfs/dbraw/zinc/38/03/22/350380322.db2.gz RKXMRFCOSSVMBA-IUCAKERBSA-N 2 2 251.334 0.454 10 0 CCAELP CCC[NH+]1CCC(NC(=O)NC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000107327324 186169886 /nfs/dbraw/zinc/16/98/86/186169886.db2.gz KUYWVAFGWPBSDH-CQSZACIVSA-N 2 2 298.431 0.491 10 0 CCAELP CCC[NH+]1CCC(NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000107327324 186169888 /nfs/dbraw/zinc/16/98/88/186169888.db2.gz KUYWVAFGWPBSDH-CQSZACIVSA-N 2 2 298.431 0.491 10 0 CCAELP C[C@@H]1C[C@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)CC[N@H+]1C ZINC000151251190 350496691 /nfs/dbraw/zinc/49/66/91/350496691.db2.gz OWJJQEPWRUQMSI-KFWWJZLASA-N 3 2 269.433 0.906 10 0 CCAELP C[C@@H]([NH3+])C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000166037476 350795797 /nfs/dbraw/zinc/79/57/97/350795797.db2.gz ALGNUNIPKUZETA-SECBINFHSA-N 2 2 262.288 0.975 10 0 CCAELP CN(CC1([NH+](C)C)CCC1)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000189795689 351702937 /nfs/dbraw/zinc/70/29/37/351702937.db2.gz IQPBTWWJVMCIPC-ZDUSSCGKSA-N 2 2 298.431 0.443 10 0 CCAELP CN(CC1([NH+](C)C)CCC1)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000189795689 351702940 /nfs/dbraw/zinc/70/29/40/351702940.db2.gz IQPBTWWJVMCIPC-ZDUSSCGKSA-N 2 2 298.431 0.443 10 0 CCAELP C[N@H+]1C[C@@H]2C[NH+](CC(=O)NCC3CCC3)C[C@@H]2C1 ZINC000193646424 351837915 /nfs/dbraw/zinc/83/79/15/351837915.db2.gz VRBOBPNYJSITIP-BETUJISGSA-N 2 2 251.374 0.396 10 0 CCAELP C[N@@H+]1C[C@@H]2C[NH+](CC(=O)NCC3CCC3)C[C@@H]2C1 ZINC000193646424 351837919 /nfs/dbraw/zinc/83/79/19/351837919.db2.gz VRBOBPNYJSITIP-BETUJISGSA-N 2 2 251.374 0.396 10 0 CCAELP C[NH+]1C[C@@H]2C[N@@H+](CC(=O)NCC3CCC3)C[C@@H]2C1 ZINC000193646424 351837925 /nfs/dbraw/zinc/83/79/25/351837925.db2.gz VRBOBPNYJSITIP-BETUJISGSA-N 2 2 251.374 0.396 10 0 CCAELP C[NH+]1C[C@@H]2C[N@H+](CC(=O)NCC3CCC3)C[C@@H]2C1 ZINC000193646424 351837930 /nfs/dbraw/zinc/83/79/30/351837930.db2.gz VRBOBPNYJSITIP-BETUJISGSA-N 2 2 251.374 0.396 10 0 CCAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+]([C@@H]2CCNC2=O)C1 ZINC000195270954 351906746 /nfs/dbraw/zinc/90/67/46/351906746.db2.gz ATLXXFATDZQLEH-HUUCEWRRSA-N 2 2 288.395 0.724 10 0 CCAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+]([C@@H]2CCNC2=O)C1 ZINC000195270954 351906750 /nfs/dbraw/zinc/90/67/50/351906750.db2.gz ATLXXFATDZQLEH-HUUCEWRRSA-N 2 2 288.395 0.724 10 0 CCAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC000195270954 351906753 /nfs/dbraw/zinc/90/67/53/351906753.db2.gz ATLXXFATDZQLEH-HUUCEWRRSA-N 2 2 288.395 0.724 10 0 CCAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC000195270954 351906756 /nfs/dbraw/zinc/90/67/56/351906756.db2.gz ATLXXFATDZQLEH-HUUCEWRRSA-N 2 2 288.395 0.724 10 0 CCAELP C[C@@H](C[NH+]1CCOCC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000245988036 352343801 /nfs/dbraw/zinc/34/38/01/352343801.db2.gz HOIYBVQYTXVPEV-KBPBESRZSA-N 2 2 253.390 0.487 10 0 CCAELP C[C@@H](C[NH+]1CCOCC1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000245988036 352343805 /nfs/dbraw/zinc/34/38/05/352343805.db2.gz HOIYBVQYTXVPEV-KBPBESRZSA-N 2 2 253.390 0.487 10 0 CCAELP C[NH+](C)[C@@H]1CCCN(C(=O)NC[C@H]2C[N@H+](C)CCO2)C1 ZINC000246345060 352362358 /nfs/dbraw/zinc/36/23/58/352362358.db2.gz CIZNEFNOYRUANM-OLZOCXBDSA-N 2 2 284.404 0.053 10 0 CCAELP C[NH+](C)[C@@H]1CCCN(C(=O)NC[C@H]2C[N@@H+](C)CCO2)C1 ZINC000246345060 352362360 /nfs/dbraw/zinc/36/23/60/352362360.db2.gz CIZNEFNOYRUANM-OLZOCXBDSA-N 2 2 284.404 0.053 10 0 CCAELP COCC[N@@H+]1CCN(CC[NH+]2CCO[C@@H](C)C2)C[C@@H]1C ZINC000249104676 352477900 /nfs/dbraw/zinc/47/79/00/352477900.db2.gz WXDXUBYCDHTSAP-GJZGRUSLSA-N 2 2 285.432 0.360 10 0 CCAELP COCC[N@H+]1CCN(CC[NH+]2CCO[C@@H](C)C2)C[C@@H]1C ZINC000249104676 352477905 /nfs/dbraw/zinc/47/79/05/352477905.db2.gz WXDXUBYCDHTSAP-GJZGRUSLSA-N 2 2 285.432 0.360 10 0 CCAELP COCC[NH+]1CCN(CC[N@@H+]2CCO[C@@H](C)C2)C[C@@H]1C ZINC000249104676 352477906 /nfs/dbraw/zinc/47/79/06/352477906.db2.gz WXDXUBYCDHTSAP-GJZGRUSLSA-N 2 2 285.432 0.360 10 0 CCAELP COCC[NH+]1CCN(CC[N@H+]2CCO[C@@H](C)C2)C[C@@H]1C ZINC000249104676 352477911 /nfs/dbraw/zinc/47/79/11/352477911.db2.gz WXDXUBYCDHTSAP-GJZGRUSLSA-N 2 2 285.432 0.360 10 0 CCAELP C[C@H](O)C[N@@H+]1CCN(CC[NH+]2CCO[C@@H](C)C2)C[C@@H]1C ZINC000249110641 352478145 /nfs/dbraw/zinc/47/81/45/352478145.db2.gz XTMPWVITDZRUFQ-KKUMJFAQSA-N 2 2 285.432 0.094 10 0 CCAELP C[C@H](O)C[N@H+]1CCN(CC[NH+]2CCO[C@@H](C)C2)C[C@@H]1C ZINC000249110641 352478150 /nfs/dbraw/zinc/47/81/50/352478150.db2.gz XTMPWVITDZRUFQ-KKUMJFAQSA-N 2 2 285.432 0.094 10 0 CCAELP C[C@H](O)C[NH+]1CCN(CC[N@@H+]2CCO[C@@H](C)C2)C[C@@H]1C ZINC000249110641 352478154 /nfs/dbraw/zinc/47/81/54/352478154.db2.gz XTMPWVITDZRUFQ-KKUMJFAQSA-N 2 2 285.432 0.094 10 0 CCAELP C[C@H](O)C[NH+]1CCN(CC[N@H+]2CCO[C@@H](C)C2)C[C@@H]1C ZINC000249110641 352478160 /nfs/dbraw/zinc/47/81/60/352478160.db2.gz XTMPWVITDZRUFQ-KKUMJFAQSA-N 2 2 285.432 0.094 10 0 CCAELP Cc1nc(C)n(C[C@@H]2C[N@H+](CCn3cc[nH+]c3)CCO2)n1 ZINC000328603100 354234450 /nfs/dbraw/zinc/23/44/50/354234450.db2.gz HNWZBXANVLFKHI-AWEZNQCLSA-N 2 2 290.371 0.492 10 0 CCAELP Cc1nc(C)n(C[C@@H]2C[N@@H+](CCn3cc[nH+]c3)CCO2)n1 ZINC000328603100 354234454 /nfs/dbraw/zinc/23/44/54/354234454.db2.gz HNWZBXANVLFKHI-AWEZNQCLSA-N 2 2 290.371 0.492 10 0 CCAELP NC(=O)c1ccc(C[NH2+][C@@H]2CCC[N@H+](CCO)C2)cc1 ZINC000384337811 357720899 /nfs/dbraw/zinc/72/08/99/357720899.db2.gz BSLCXXGGRYBTPH-CQSZACIVSA-N 2 2 277.368 0.332 10 0 CCAELP NC(=O)c1ccc(C[NH2+][C@@H]2CCC[N@@H+](CCO)C2)cc1 ZINC000384337811 357720901 /nfs/dbraw/zinc/72/09/01/357720901.db2.gz BSLCXXGGRYBTPH-CQSZACIVSA-N 2 2 277.368 0.332 10 0 CCAELP NC(=[NH2+])NCC[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000584604894 359178569 /nfs/dbraw/zinc/17/85/69/359178569.db2.gz BIEWCVDTVLCCJG-UHFFFAOYSA-N 2 2 281.791 0.945 10 0 CCAELP O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000334155289 295998943 /nfs/dbraw/zinc/99/89/43/295998943.db2.gz UWWXDXRXKRFSSH-ONGXEEELSA-N 2 2 259.300 0.196 10 0 CCAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCS(C)(=O)=O ZINC000178330513 189107199 /nfs/dbraw/zinc/10/71/99/189107199.db2.gz MEEKDCKOWPRRAQ-GFCCVEGCSA-N 2 2 271.386 0.701 10 0 CCAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCS(C)(=O)=O ZINC000178330513 189107200 /nfs/dbraw/zinc/10/72/00/189107200.db2.gz MEEKDCKOWPRRAQ-GFCCVEGCSA-N 2 2 271.386 0.701 10 0 CCAELP CC(C)S(=O)(=O)CCC[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631839866 370706102 /nfs/dbraw/zinc/70/61/02/370706102.db2.gz LWMPYZVLHLXBSO-RYUDHWBXSA-N 2 2 262.419 0.726 10 0 CCAELP CC(C)S(=O)(=O)CCC[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631839866 370706107 /nfs/dbraw/zinc/70/61/07/370706107.db2.gz LWMPYZVLHLXBSO-RYUDHWBXSA-N 2 2 262.419 0.726 10 0 CCAELP CCCN(CC[NH+](C)C)C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000565037878 291338817 /nfs/dbraw/zinc/33/88/17/291338817.db2.gz ILKQVVBLCFZNLP-JTQLQIEISA-N 2 2 263.332 0.784 10 0 CCAELP CO[C@@H]1C[N@H+](CCn2nc(C)cc2C)[C@](C)(C[NH3+])C1 ZINC000630360004 370062196 /nfs/dbraw/zinc/06/21/96/370062196.db2.gz DPAIYVJJWRGJKU-KBPBESRZSA-N 2 2 266.389 0.938 10 0 CCAELP CO[C@@H]1C[N@@H+](CCn2nc(C)cc2C)[C@](C)(C[NH3+])C1 ZINC000630360004 370062199 /nfs/dbraw/zinc/06/21/99/370062199.db2.gz DPAIYVJJWRGJKU-KBPBESRZSA-N 2 2 266.389 0.938 10 0 CCAELP CO[C@H]1C[N@H+](CCn2cc(C)cn2)[C@](C)(C[NH3+])C1 ZINC000630365486 370066410 /nfs/dbraw/zinc/06/64/10/370066410.db2.gz IKMXAZNBDXICCB-OLZOCXBDSA-N 2 2 252.362 0.630 10 0 CCAELP CO[C@H]1C[N@@H+](CCn2cc(C)cn2)[C@](C)(C[NH3+])C1 ZINC000630365486 370066412 /nfs/dbraw/zinc/06/64/12/370066412.db2.gz IKMXAZNBDXICCB-OLZOCXBDSA-N 2 2 252.362 0.630 10 0 CCAELP CO[C@@H]1C[N@H+](CCOC2CCOCC2)[C@](C)(C[NH3+])C1 ZINC000630366374 370067715 /nfs/dbraw/zinc/06/77/15/370067715.db2.gz KGCQKEFRZKNWJS-KBPBESRZSA-N 2 2 272.389 0.620 10 0 CCAELP CO[C@@H]1C[N@@H+](CCOC2CCOCC2)[C@](C)(C[NH3+])C1 ZINC000630366374 370067716 /nfs/dbraw/zinc/06/77/16/370067716.db2.gz KGCQKEFRZKNWJS-KBPBESRZSA-N 2 2 272.389 0.620 10 0 CCAELP C(N1CC[C@@H]([NH+]2CCOCC2)C1)C12CC(C1)C[NH2+]2 ZINC000634992051 372326769 /nfs/dbraw/zinc/32/67/69/372326769.db2.gz ATPRCEDYMPMLLI-ROKHWSDSSA-N 2 2 251.374 0.145 10 0 CCAELP C([N@@H+]1CC[C@@H](N2CCOCC2)C1)C12CC(C1)C[NH2+]2 ZINC000634992051 372326775 /nfs/dbraw/zinc/32/67/75/372326775.db2.gz ATPRCEDYMPMLLI-ROKHWSDSSA-N 2 2 251.374 0.145 10 0 CCAELP C([N@H+]1CC[C@@H](N2CCOCC2)C1)C12CC(C1)C[NH2+]2 ZINC000634992051 372326781 /nfs/dbraw/zinc/32/67/81/372326781.db2.gz ATPRCEDYMPMLLI-ROKHWSDSSA-N 2 2 251.374 0.145 10 0 CCAELP CC(C)(CNC(=O)N[C@@H]1CCCC[NH2+]C1)[NH+]1CCOCC1 ZINC000333140433 205063052 /nfs/dbraw/zinc/06/30/52/205063052.db2.gz CXQNCFWKJSZYLX-CYBMUJFWSA-N 2 2 298.431 0.539 10 0 CCAELP C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1CCn2cc[nH+]c2C1 ZINC000637380552 374130101 /nfs/dbraw/zinc/13/01/01/374130101.db2.gz ZAAVOBFOOFDZCP-QWHCGFSZSA-N 2 2 291.399 0.839 10 0 CCAELP C[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1CCn2cc[nH+]c2C1 ZINC000637380552 374130105 /nfs/dbraw/zinc/13/01/05/374130105.db2.gz ZAAVOBFOOFDZCP-QWHCGFSZSA-N 2 2 291.399 0.839 10 0 CCAELP C[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H]1CCn2cc[nH+]c2C1 ZINC000637531189 374216214 /nfs/dbraw/zinc/21/62/14/374216214.db2.gz ZAAVOBFOOFDZCP-STQMWFEESA-N 2 2 291.399 0.839 10 0 CCAELP C[N@H+]1CCC[C@H]1CNC(=O)NC[C@H]1CCn2cc[nH+]c2C1 ZINC000637531189 374216220 /nfs/dbraw/zinc/21/62/20/374216220.db2.gz ZAAVOBFOOFDZCP-STQMWFEESA-N 2 2 291.399 0.839 10 0 CCAELP CC(C)CNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193635513 389075557 /nfs/dbraw/zinc/07/55/57/389075557.db2.gz VAGFOTUNAZKDQV-UPJWGTAASA-N 2 2 296.415 0.350 10 0 CCAELP CC(C)CNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193635513 389075560 /nfs/dbraw/zinc/07/55/60/389075560.db2.gz VAGFOTUNAZKDQV-UPJWGTAASA-N 2 2 296.415 0.350 10 0 CCAELP CC(C)CNC(=O)NC(=O)[C@@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193635513 389075563 /nfs/dbraw/zinc/07/55/63/389075563.db2.gz VAGFOTUNAZKDQV-UPJWGTAASA-N 2 2 296.415 0.350 10 0 CCAELP CC(C)CNC(=O)NC(=O)[C@@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193635513 389075567 /nfs/dbraw/zinc/07/55/67/389075567.db2.gz VAGFOTUNAZKDQV-UPJWGTAASA-N 2 2 296.415 0.350 10 0 CCAELP CN(C)c1[nH+]cc(C[NH2+]C[C@@H](O)C(C)(C)C)n1C ZINC000324642713 389127530 /nfs/dbraw/zinc/12/75/30/389127530.db2.gz XYGOJXAVFJHVKN-LLVKDONJSA-N 2 2 254.378 0.983 10 0 CCAELP CC[C@@H]1CN(CC[N@@H+]2CCO[C@@H](C)C2)CC[NH+]1C[C@H](C)O ZINC000249023624 389252005 /nfs/dbraw/zinc/25/20/05/389252005.db2.gz KPDBDXCBCIOZLF-HRCADAONSA-N 2 2 299.459 0.484 10 0 CCAELP CC[C@@H]1CN(CC[N@H+]2CCO[C@@H](C)C2)CC[NH+]1C[C@H](C)O ZINC000249023624 389252007 /nfs/dbraw/zinc/25/20/07/389252007.db2.gz KPDBDXCBCIOZLF-HRCADAONSA-N 2 2 299.459 0.484 10 0 CCAELP CC[C@@H]1CN(CC[NH+]2CCO[C@@H](C)C2)CC[N@@H+]1C[C@H](C)O ZINC000249023624 389252010 /nfs/dbraw/zinc/25/20/10/389252010.db2.gz KPDBDXCBCIOZLF-HRCADAONSA-N 2 2 299.459 0.484 10 0 CCAELP CC[C@@H]1CN(CC[NH+]2CCO[C@@H](C)C2)CC[N@H+]1C[C@H](C)O ZINC000249023624 389252011 /nfs/dbraw/zinc/25/20/11/389252011.db2.gz KPDBDXCBCIOZLF-HRCADAONSA-N 2 2 299.459 0.484 10 0 CCAELP C[C@H]1C[N@H+](CCn2cc[nH+]c2)C[C@@H]1N1CCOCC1 ZINC000162200307 389416171 /nfs/dbraw/zinc/41/61/71/389416171.db2.gz QKKLUARIUKACSK-KBPBESRZSA-N 2 2 264.373 0.536 10 0 CCAELP C[C@H]1C[N@@H+](CCn2cc[nH+]c2)C[C@@H]1N1CCOCC1 ZINC000162200307 389416174 /nfs/dbraw/zinc/41/61/74/389416174.db2.gz QKKLUARIUKACSK-KBPBESRZSA-N 2 2 264.373 0.536 10 0 CCAELP O=C(NCCn1cc[nH+]c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171896349 389482739 /nfs/dbraw/zinc/48/27/39/389482739.db2.gz XHPGZPLWQVDDSL-LBPRGKRZSA-N 2 2 263.345 0.373 10 0 CCAELP O=C(NCCn1cc[nH+]c1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000171896349 389482745 /nfs/dbraw/zinc/48/27/45/389482745.db2.gz XHPGZPLWQVDDSL-LBPRGKRZSA-N 2 2 263.345 0.373 10 0 CCAELP C[N@@H+]1CCO[C@H](CNC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)C1 ZINC000333603037 389435250 /nfs/dbraw/zinc/43/52/50/389435250.db2.gz PSVNUHLMXFUEQS-DGAVXFQQSA-N 2 2 296.415 0.086 10 0 CCAELP C[N@H+]1CCO[C@H](CNC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)C1 ZINC000333603037 389435252 /nfs/dbraw/zinc/43/52/52/389435252.db2.gz PSVNUHLMXFUEQS-DGAVXFQQSA-N 2 2 296.415 0.086 10 0 CCAELP CC(C)[C@@H](CNC(=O)[C@H]1COCC[NH2+]1)[NH+]1CCC(C)CC1 ZINC000164906236 389436695 /nfs/dbraw/zinc/43/66/95/389436695.db2.gz PMZUNJIRAQLDOA-HUUCEWRRSA-N 2 2 297.443 0.848 10 0 CCAELP C[N@@H+]1CCO[C@H]2CCN(c3cc(NC4CC4)[nH+]cn3)C[C@@H]21 ZINC000334022900 389452257 /nfs/dbraw/zinc/45/22/57/389452257.db2.gz DVCYMPPKJWQJQX-STQMWFEESA-N 2 2 289.383 0.960 10 0 CCAELP C[N@H+]1CCO[C@H]2CCN(c3cc(NC4CC4)[nH+]cn3)C[C@@H]21 ZINC000334022900 389452260 /nfs/dbraw/zinc/45/22/60/389452260.db2.gz DVCYMPPKJWQJQX-STQMWFEESA-N 2 2 289.383 0.960 10 0 CCAELP CC(C)[C@H](C(=O)NC[C@@H]1C[N@H+](C)CCO1)[C@@H](C)[NH3+] ZINC000399453014 389791374 /nfs/dbraw/zinc/79/13/74/389791374.db2.gz RYVDJJPIIPVEQG-UTUOFQBUSA-N 2 2 257.378 0.053 10 0 CCAELP CC(C)[C@H](C(=O)NC[C@@H]1C[N@@H+](C)CCO1)[C@@H](C)[NH3+] ZINC000399453014 389791376 /nfs/dbraw/zinc/79/13/76/389791376.db2.gz RYVDJJPIIPVEQG-UTUOFQBUSA-N 2 2 257.378 0.053 10 0 CCAELP CC(C)n1nnnc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000571325750 390731177 /nfs/dbraw/zinc/73/11/77/390731177.db2.gz RQWAWRRXQIPRPE-DCAQKATOSA-N 2 2 250.350 0.423 10 0 CCAELP CC(C)n1nnnc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000571325750 390731178 /nfs/dbraw/zinc/73/11/78/390731178.db2.gz RQWAWRRXQIPRPE-DCAQKATOSA-N 2 2 250.350 0.423 10 0 CCAELP C[C@@H](CNC(=O)[C@H]1CC(F)(F)C[NH2+]1)[NH+]1CCCC1 ZINC000646408274 390677900 /nfs/dbraw/zinc/67/79/00/390677900.db2.gz HSAFXUULWYGNCK-VHSXEESVSA-N 2 2 261.316 0.584 10 0 CCAELP COCc1nc(CN2CC[N@H+](C)C[C@H]2C[NH3+])cs1 ZINC000647539287 390837713 /nfs/dbraw/zinc/83/77/13/390837713.db2.gz OFANSQXIYMEQHI-LLVKDONJSA-N 2 2 270.402 0.364 10 0 CCAELP COCc1nc(CN2CC[N@@H+](C)C[C@H]2C[NH3+])cs1 ZINC000647539287 390837714 /nfs/dbraw/zinc/83/77/14/390837714.db2.gz OFANSQXIYMEQHI-LLVKDONJSA-N 2 2 270.402 0.364 10 0 CCAELP O=C(NCCC[NH+]1CCCCC1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000369467288 144270513 /nfs/dbraw/zinc/27/05/13/144270513.db2.gz MRDZDWXTWFYDDY-LLVKDONJSA-N 2 2 275.343 0.976 10 0 CCAELP COc1ccc[nH+]c1N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000128347889 411716834 /nfs/dbraw/zinc/71/68/34/411716834.db2.gz FPOWXEMEHHFPQS-NSHDSACASA-N 2 2 278.356 0.382 10 0 CCAELP CCO[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@H]1C[NH3+] ZINC000405894499 411803064 /nfs/dbraw/zinc/80/30/64/411803064.db2.gz YDKNPXKXYFHEHO-MWLCHTKSSA-N 2 2 276.344 0.163 10 0 CCAELP O=C([C@H]1CCC[NH2+]1)N1CC[NH+](Cc2ccco2)CC1 ZINC000037497736 173236646 /nfs/dbraw/zinc/23/66/46/173236646.db2.gz ZYLJRCFNOVAAGL-CYBMUJFWSA-N 2 2 263.341 0.676 10 0 CCAELP CC[NH2+]C1CC[NH+]([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000037536979 173256377 /nfs/dbraw/zinc/25/63/77/173256377.db2.gz NQODABWNYMTGQS-GFCCVEGCSA-N 2 2 269.389 0.308 10 0 CCAELP O=C(NCc1ccncc1)[C@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000038043000 174048763 /nfs/dbraw/zinc/04/87/63/174048763.db2.gz TUYWUUPEKQYVGW-OAHLLOKOSA-N 2 2 288.395 0.914 10 0 CCAELP O=C(NCc1ccncc1)[C@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000038043000 174048765 /nfs/dbraw/zinc/04/87/65/174048765.db2.gz TUYWUUPEKQYVGW-OAHLLOKOSA-N 2 2 288.395 0.914 10 0 CCAELP CCC[C@H](C)NC(=O)[C@H](C)[N@H+](CCC[NH3+])CCOC ZINC000071224883 176088964 /nfs/dbraw/zinc/08/89/64/176088964.db2.gz AKAIIDSLHWLSPK-STQMWFEESA-N 2 2 273.421 0.977 10 0 CCAELP CCC[C@H](C)NC(=O)[C@H](C)[N@@H+](CCC[NH3+])CCOC ZINC000071224883 176088965 /nfs/dbraw/zinc/08/89/65/176088965.db2.gz AKAIIDSLHWLSPK-STQMWFEESA-N 2 2 273.421 0.977 10 0 CCAELP CCC[C@@H](C)NC(=O)[C@@H](C)[N@H+](CCC[NH3+])CCOC ZINC000071224873 176089064 /nfs/dbraw/zinc/08/90/64/176089064.db2.gz AKAIIDSLHWLSPK-CHWSQXEVSA-N 2 2 273.421 0.977 10 0 CCAELP CCC[C@@H](C)NC(=O)[C@@H](C)[N@@H+](CCC[NH3+])CCOC ZINC000071224873 176089066 /nfs/dbraw/zinc/08/90/66/176089066.db2.gz AKAIIDSLHWLSPK-CHWSQXEVSA-N 2 2 273.421 0.977 10 0 CCAELP C[N@H+]([C@H]1C[C@@H]([NH3+])C12CCOCC2)C1CC[NH+](C)CC1 ZINC000725264490 545884695 /nfs/dbraw/zinc/88/46/95/545884695.db2.gz QRHUIFRFNNWCOC-KGLIPLIRSA-N 3 2 267.417 0.909 10 0 CCAELP C[N@@H+]([C@H]1C[C@@H]([NH3+])C12CCOCC2)C1CC[NH+](C)CC1 ZINC000725264490 545884701 /nfs/dbraw/zinc/88/47/01/545884701.db2.gz QRHUIFRFNNWCOC-KGLIPLIRSA-N 3 2 267.417 0.909 10 0 CCAELP C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000094647186 544545541 /nfs/dbraw/zinc/54/55/41/544545541.db2.gz ZAMRILSAUIJNFH-NEPJUHHUSA-N 2 2 250.346 0.778 10 0 CCAELP CN(Cc1[nH+]ccn1C)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089457680 544514512 /nfs/dbraw/zinc/51/45/12/544514512.db2.gz KRLFSCZUXHJKRC-QWRGUYRKSA-N 2 2 250.346 0.754 10 0 CCAELP COc1cc(OC)c(OC)cc1C[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC000262077163 544939323 /nfs/dbraw/zinc/93/93/23/544939323.db2.gz DJDLKGULMLTESS-NWDGAFQWSA-N 2 2 296.367 0.382 10 0 CCAELP C[C@H](CNC(=O)N[C@H]1CCC[NH2+][C@H]1C)[NH+]1CCOCC1 ZINC000333931654 545044799 /nfs/dbraw/zinc/04/47/99/545044799.db2.gz GFDUTHFOJVLMBW-AGIUHOORSA-N 2 2 284.404 0.147 10 0 CCAELP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172764078 276361106 /nfs/dbraw/zinc/36/11/06/276361106.db2.gz WYRRLMSKBIPCAC-LSDHHAIUSA-N 2 2 295.427 0.794 10 0 CCAELP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172764078 276361108 /nfs/dbraw/zinc/36/11/08/276361108.db2.gz WYRRLMSKBIPCAC-LSDHHAIUSA-N 2 2 295.427 0.794 10 0 CCAELP C[C@H](C[NH+]1CCOCC1)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000246130168 278193572 /nfs/dbraw/zinc/19/35/72/278193572.db2.gz RIPWVFUNTUOUTB-ILXRZTDVSA-N 2 2 285.432 0.094 10 0 CCAELP C[C@H](C[NH+]1CCOCC1)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000246130168 278193574 /nfs/dbraw/zinc/19/35/74/278193574.db2.gz RIPWVFUNTUOUTB-ILXRZTDVSA-N 2 2 285.432 0.094 10 0 CCAELP C[C@@]1(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)CCCC[NH2+]1 ZINC000136203107 279152294 /nfs/dbraw/zinc/15/22/94/279152294.db2.gz GCYCGCRKZJWLIJ-ZFWWWQNUSA-N 2 2 281.400 0.452 10 0 CCAELP O=C([C@H]1CC(F)(F)C[NH2+]1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000334155287 280124722 /nfs/dbraw/zinc/12/47/22/280124722.db2.gz UWWXDXRXKRFSSH-KOLCDFICSA-N 2 2 259.300 0.196 10 0 CCAELP CC(C)[N@H+](C)C[C@H](O)CN1CCn2cc[nH+]c2C1 ZINC000386119380 545085952 /nfs/dbraw/zinc/08/59/52/545085952.db2.gz MLCJJULQKMKLEF-LBPRGKRZSA-N 2 2 252.362 0.400 10 0 CCAELP CC(C)[N@@H+](C)C[C@H](O)CN1CCn2cc[nH+]c2C1 ZINC000386119380 545085953 /nfs/dbraw/zinc/08/59/53/545085953.db2.gz MLCJJULQKMKLEF-LBPRGKRZSA-N 2 2 252.362 0.400 10 0 CCAELP O=C(CC[C@H]1CCC[NH2+]1)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000394380314 545087997 /nfs/dbraw/zinc/08/79/97/545087997.db2.gz NTJJBXHOYHNNIC-KGLIPLIRSA-N 2 2 280.416 0.025 10 0 CCAELP O=C(CC[C@H]1CCC[NH2+]1)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000394380314 545087998 /nfs/dbraw/zinc/08/79/98/545087998.db2.gz NTJJBXHOYHNNIC-KGLIPLIRSA-N 2 2 280.416 0.025 10 0 CCAELP CC(C)(C)OC[C@H](O)C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]12 ZINC000049567907 518880918 /nfs/dbraw/zinc/88/09/18/518880918.db2.gz VOBNQAVXWSFIQD-FRRDWIJNSA-N 2 2 256.390 0.989 10 0 CCAELP CC(C)(C)OC[C@H](O)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]12 ZINC000049567907 518880923 /nfs/dbraw/zinc/88/09/23/518880923.db2.gz VOBNQAVXWSFIQD-FRRDWIJNSA-N 2 2 256.390 0.989 10 0 CCAELP CC(C)[NH2+][C@@H](CC[N@@H+]1CCCO[C@@H](C)C1)C(N)=O ZINC000062533179 519734325 /nfs/dbraw/zinc/73/43/25/519734325.db2.gz PHHPWYBODBHZKQ-RYUDHWBXSA-N 2 2 257.378 0.339 10 0 CCAELP CC(C)[NH2+][C@@H](CC[N@H+]1CCCO[C@@H](C)C1)C(N)=O ZINC000062533179 519734327 /nfs/dbraw/zinc/73/43/27/519734327.db2.gz PHHPWYBODBHZKQ-RYUDHWBXSA-N 2 2 257.378 0.339 10 0 CCAELP CCOC(=O)[C@@](C)([NH3+])CN1CC[NH+]([C@H](C)CC)CC1 ZINC000055070682 521152758 /nfs/dbraw/zinc/15/27/58/521152758.db2.gz POQWEDWIOCYLRN-OCCSQVGLSA-N 2 2 271.405 0.683 10 0 CCAELP CN1CCO[C@@H](C[NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000091667769 536436001 /nfs/dbraw/zinc/43/60/01/536436001.db2.gz FDVTYUKNUCXYLD-HNNXBMFYSA-N 2 2 290.411 0.971 10 0 CCAELP Cc1cnn(C)c1C[NH2+]C1CC[NH+](CCO)CC1 ZINC000398967879 581206679 /nfs/dbraw/zinc/20/66/79/581206679.db2.gz SLYWOTWSTQDGQJ-UHFFFAOYSA-N 2 2 252.362 0.275 10 0 CCAELP C[N@H+](CCO)[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)[NH2+]C1 ZINC000757134569 581940531 /nfs/dbraw/zinc/94/05/31/581940531.db2.gz OAZABYVOFLMQIM-NEPJUHHUSA-N 2 2 287.404 0.556 10 0 CCAELP C[N@@H+](CCO)[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)[NH2+]C1 ZINC000757134569 581940533 /nfs/dbraw/zinc/94/05/33/581940533.db2.gz OAZABYVOFLMQIM-NEPJUHHUSA-N 2 2 287.404 0.556 10 0 CCAELP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)CC1 ZINC000093191281 349530908 /nfs/dbraw/zinc/53/09/08/349530908.db2.gz TVRYHYHQWMZXSP-ZIAGYGMSSA-N 2 2 281.400 0.261 10 0 CCAELP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)CC1 ZINC000093191281 349530913 /nfs/dbraw/zinc/53/09/13/349530913.db2.gz TVRYHYHQWMZXSP-ZIAGYGMSSA-N 2 2 281.400 0.261 10 0 CCAELP CCOCC[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000105915267 349727380 /nfs/dbraw/zinc/72/73/80/349727380.db2.gz GKMHQOUALCKIES-MRXNPFEDSA-N 2 2 299.459 0.750 10 0 CCAELP C[C@@H]1C[NH2+]C[C@H]1C(=O)NCCCCn1cc[nH+]c1 ZINC000111272130 349768763 /nfs/dbraw/zinc/76/87/63/349768763.db2.gz ALADOJITCNRSSB-VXGBXAGGSA-N 2 2 250.346 0.635 10 0 CCAELP CCc1cc(N2CCC[C@H]([NH2+][C@@H]3CC[NH2+]C3)C2)ncn1 ZINC000333221975 136385328 /nfs/dbraw/zinc/38/53/28/136385328.db2.gz ADOBROJXPYOTLI-KGLIPLIRSA-N 2 2 275.400 0.959 10 0 CCAELP CCC[C@H](C(=O)N1CC[NH+](CCOCC)CC1)[NH+](C)C ZINC000154806319 290691606 /nfs/dbraw/zinc/69/16/06/290691606.db2.gz ZWOGRYAGSUQKRC-CQSZACIVSA-N 2 2 285.432 0.897 10 0 CCAELP CC1(C)C[N@H+](CCn2nc3ccccn3c2=O)CC[C@H]1[NH3+] ZINC000261639680 137013766 /nfs/dbraw/zinc/01/37/66/137013766.db2.gz IMUQAENGYJUBAM-GFCCVEGCSA-N 2 2 289.383 0.555 10 0 CCAELP CC1(C)C[N@@H+](CCn2nc3ccccn3c2=O)CC[C@H]1[NH3+] ZINC000261639680 137013767 /nfs/dbraw/zinc/01/37/67/137013767.db2.gz IMUQAENGYJUBAM-GFCCVEGCSA-N 2 2 289.383 0.555 10 0 CCAELP Cc1[nH+]cc(CNC[C@@H]2C[NH2+]C[C@@H]2O)n1-c1ccccc1 ZINC000263154591 137059099 /nfs/dbraw/zinc/05/90/99/137059099.db2.gz DHDBIQHOTHKGPN-CJNGLKHVSA-N 2 2 286.379 0.851 10 0 CCAELP [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000261873746 137023969 /nfs/dbraw/zinc/02/39/69/137023969.db2.gz SPJSPHHBGMAVRL-CHWSQXEVSA-N 2 2 291.399 0.429 10 0 CCAELP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1COCC[NH2+]1 ZINC000263282857 137062694 /nfs/dbraw/zinc/06/26/94/137062694.db2.gz SNWZDSBVQZVDKD-RFQIPJPRSA-N 2 2 283.416 0.457 10 0 CCAELP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1COCC[NH2+]1 ZINC000263282857 137062695 /nfs/dbraw/zinc/06/26/95/137062695.db2.gz SNWZDSBVQZVDKD-RFQIPJPRSA-N 2 2 283.416 0.457 10 0 CCAELP COc1cc2c(cc1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1O)OCO2 ZINC000263212694 137060570 /nfs/dbraw/zinc/06/05/70/137060570.db2.gz KLVSZONAVPUJLS-GHMZBOCLSA-N 2 2 280.324 0.094 10 0 CCAELP C[C@@H](C(=O)NCc1ccco1)[NH+]1CCC([NH3+])CC1 ZINC000034939793 348153657 /nfs/dbraw/zinc/15/36/57/348153657.db2.gz XOPKJXUJSJHHDU-JTQLQIEISA-N 2 2 251.330 0.707 10 0 CCAELP C[NH2+][C@H](C)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000054073055 348539970 /nfs/dbraw/zinc/53/99/70/348539970.db2.gz WYVFLIYQZGJWST-LLVKDONJSA-N 2 2 262.357 0.775 10 0 CCAELP O=C(C[C@@H]1C[NH2+]CCO1)Nc1c[nH+]c2n1CCCC2 ZINC000067605480 348778603 /nfs/dbraw/zinc/77/86/03/348778603.db2.gz QKHNOQSHJAGUIA-SNVBAGLBSA-N 2 2 264.329 0.536 10 0 CCAELP OCCOCC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000132709929 350314936 /nfs/dbraw/zinc/31/49/36/350314936.db2.gz PRPZDXLJZJMMPV-CYBMUJFWSA-N 2 2 265.357 0.824 10 0 CCAELP OCCOCC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000132709929 350314938 /nfs/dbraw/zinc/31/49/38/350314938.db2.gz PRPZDXLJZJMMPV-CYBMUJFWSA-N 2 2 265.357 0.824 10 0 CCAELP CC[C@@H]1CN(Cc2[nH]cc[nH+]2)CC[N@@H+]1C[C@@H](C)O ZINC000111227893 186371977 /nfs/dbraw/zinc/37/19/77/186371977.db2.gz FGLLJZVNRSKRLY-VXGBXAGGSA-N 2 2 252.362 0.687 10 0 CCAELP CC[C@@H]1CN(Cc2[nH]cc[nH+]2)CC[N@H+]1C[C@@H](C)O ZINC000111227893 186371978 /nfs/dbraw/zinc/37/19/78/186371978.db2.gz FGLLJZVNRSKRLY-VXGBXAGGSA-N 2 2 252.362 0.687 10 0 CCAELP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172743535 351007194 /nfs/dbraw/zinc/00/71/94/351007194.db2.gz BBOVSUWKJDQSTJ-CYBMUJFWSA-N 2 2 269.389 0.260 10 0 CCAELP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172743535 351007199 /nfs/dbraw/zinc/00/71/99/351007199.db2.gz BBOVSUWKJDQSTJ-CYBMUJFWSA-N 2 2 269.389 0.260 10 0 CCAELP C[NH+](C)C[C@H](NC(=O)[C@H]1C[N@H+](C)CCO1)c1ccccc1 ZINC000173723075 351051685 /nfs/dbraw/zinc/05/16/85/351051685.db2.gz CPGLCWDVNFQKCY-LSDHHAIUSA-N 2 2 291.395 0.736 10 0 CCAELP C[NH+](C)C[C@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)c1ccccc1 ZINC000173723075 351051687 /nfs/dbraw/zinc/05/16/87/351051687.db2.gz CPGLCWDVNFQKCY-LSDHHAIUSA-N 2 2 291.395 0.736 10 0 CCAELP CC(C)[N@H+](C)CC(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000173969159 351064597 /nfs/dbraw/zinc/06/45/97/351064597.db2.gz AJWMZQDZBVWRNO-KBPBESRZSA-N 2 2 283.416 0.506 10 0 CCAELP CC(C)[N@@H+](C)CC(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000173969159 351064599 /nfs/dbraw/zinc/06/45/99/351064599.db2.gz AJWMZQDZBVWRNO-KBPBESRZSA-N 2 2 283.416 0.506 10 0 CCAELP CN(C(=O)c1n[nH]c2c1C[NH2+]CC2)[C@@H]1CCC[N@H+](C)C1 ZINC000188919377 351639441 /nfs/dbraw/zinc/63/94/41/351639441.db2.gz SLRBDEYHXYTRNJ-SNVBAGLBSA-N 2 2 277.372 0.222 10 0 CCAELP CN(C(=O)c1n[nH]c2c1C[NH2+]CC2)[C@@H]1CCC[N@@H+](C)C1 ZINC000188919377 351639443 /nfs/dbraw/zinc/63/94/43/351639443.db2.gz SLRBDEYHXYTRNJ-SNVBAGLBSA-N 2 2 277.372 0.222 10 0 CCAELP CC(C)[NH2+]CC[NH+]1CCC(C(=O)N2CCOCC2)CC1 ZINC000191427277 351757647 /nfs/dbraw/zinc/75/76/47/351757647.db2.gz HDGXFJKOHLNBPJ-UHFFFAOYSA-N 2 2 283.416 0.555 10 0 CCAELP CC(C)[NH2+]CC[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000193477429 351829603 /nfs/dbraw/zinc/82/96/03/351829603.db2.gz KJNLDVKDBPRJPW-CYBMUJFWSA-N 2 2 251.378 0.988 10 0 CCAELP CC(C)[NH2+]CC[N@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000193477429 351829605 /nfs/dbraw/zinc/82/96/05/351829605.db2.gz KJNLDVKDBPRJPW-CYBMUJFWSA-N 2 2 251.378 0.988 10 0 CCAELP CCN(CC)C(=O)[C@@H](C)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193625725 351836759 /nfs/dbraw/zinc/83/67/59/351836759.db2.gz MPRSRJDFXIQLDA-UPJWGTAASA-N 2 2 253.390 0.737 10 0 CCAELP CCN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193625725 351836761 /nfs/dbraw/zinc/83/67/61/351836761.db2.gz MPRSRJDFXIQLDA-UPJWGTAASA-N 2 2 253.390 0.737 10 0 CCAELP CCN(CC)C(=O)[C@@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193625725 351836764 /nfs/dbraw/zinc/83/67/64/351836764.db2.gz MPRSRJDFXIQLDA-UPJWGTAASA-N 2 2 253.390 0.737 10 0 CCAELP CCN(CC)C(=O)[C@@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193625725 351836765 /nfs/dbraw/zinc/83/67/65/351836765.db2.gz MPRSRJDFXIQLDA-UPJWGTAASA-N 2 2 253.390 0.737 10 0 CCAELP C[C@H]1C[N@H+](CCCn2cc[nH+]c2)C[C@H]1N1CCOCC1 ZINC000246014241 352345055 /nfs/dbraw/zinc/34/50/55/352345055.db2.gz ZBFJPVBZVVPUFT-LSDHHAIUSA-N 2 2 278.400 0.926 10 0 CCAELP C[C@H]1C[N@@H+](CCCn2cc[nH+]c2)C[C@H]1N1CCOCC1 ZINC000246014241 352345058 /nfs/dbraw/zinc/34/50/58/352345058.db2.gz ZBFJPVBZVVPUFT-LSDHHAIUSA-N 2 2 278.400 0.926 10 0 CCAELP C[C@H](O)C[N@@H+]1CCN(CC[NH+]2CCO[C@H](C)C2)C[C@H]1C ZINC000249110644 352477559 /nfs/dbraw/zinc/47/75/59/352477559.db2.gz XTMPWVITDZRUFQ-QLFBSQMISA-N 2 2 285.432 0.094 10 0 CCAELP C[C@H](O)C[N@H+]1CCN(CC[NH+]2CCO[C@H](C)C2)C[C@H]1C ZINC000249110644 352477562 /nfs/dbraw/zinc/47/75/62/352477562.db2.gz XTMPWVITDZRUFQ-QLFBSQMISA-N 2 2 285.432 0.094 10 0 CCAELP C[C@H](O)C[NH+]1CCN(CC[N@@H+]2CCO[C@H](C)C2)C[C@H]1C ZINC000249110644 352477564 /nfs/dbraw/zinc/47/75/64/352477564.db2.gz XTMPWVITDZRUFQ-QLFBSQMISA-N 2 2 285.432 0.094 10 0 CCAELP C[C@H](O)C[NH+]1CCN(CC[N@H+]2CCO[C@H](C)C2)C[C@H]1C ZINC000249110644 352477567 /nfs/dbraw/zinc/47/75/67/352477567.db2.gz XTMPWVITDZRUFQ-QLFBSQMISA-N 2 2 285.432 0.094 10 0 CCAELP C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2C[NH2+]Cc3ccccc32)C1 ZINC000252551441 352519899 /nfs/dbraw/zinc/51/98/99/352519899.db2.gz PQEZLMULDSABHO-ZFWWWQNUSA-N 2 2 289.379 0.320 10 0 CCAELP C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2C[NH2+]Cc3ccccc32)C1 ZINC000252551441 352519901 /nfs/dbraw/zinc/51/99/01/352519901.db2.gz PQEZLMULDSABHO-ZFWWWQNUSA-N 2 2 289.379 0.320 10 0 CCAELP Cc1nc(N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)cc[nH+]1 ZINC000266442446 352703020 /nfs/dbraw/zinc/70/30/20/352703020.db2.gz WHWXQIBAVNYXOX-GHMZBOCLSA-N 2 2 250.346 0.676 10 0 CCAELP Cc1nc(N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)cc[nH+]1 ZINC000266442446 352703022 /nfs/dbraw/zinc/70/30/22/352703022.db2.gz WHWXQIBAVNYXOX-GHMZBOCLSA-N 2 2 250.346 0.676 10 0 CCAELP O=C([C@H]1CC(F)(F)C[NH2+]1)N1CC[NH+]2CCC1CC2 ZINC000335037238 354944032 /nfs/dbraw/zinc/94/40/32/354944032.db2.gz HHNXUFNRHKPUJP-SNVBAGLBSA-N 2 2 259.300 0.290 10 0 CCAELP C[C@H]1C[N@H+](Cc2nnnn2-c2ccccc2)C[C@@H]1C[NH3+] ZINC000631843894 370710076 /nfs/dbraw/zinc/71/00/76/370710076.db2.gz SZJCSURSQONTMF-RYUDHWBXSA-N 2 2 272.356 0.689 10 0 CCAELP C[C@H]1C[N@@H+](Cc2nnnn2-c2ccccc2)C[C@@H]1C[NH3+] ZINC000631843894 370710080 /nfs/dbraw/zinc/71/00/80/370710080.db2.gz SZJCSURSQONTMF-RYUDHWBXSA-N 2 2 272.356 0.689 10 0 CCAELP CC(C)(C)OC(=O)NCC[N@@H+]1CCO[C@H](CC[NH3+])C1 ZINC000616649240 365406846 /nfs/dbraw/zinc/40/68/46/365406846.db2.gz XEKSEBNHQCFERT-LLVKDONJSA-N 2 2 273.377 0.561 10 0 CCAELP CC(C)(C)OC(=O)NCC[N@H+]1CCO[C@H](CC[NH3+])C1 ZINC000616649240 365406853 /nfs/dbraw/zinc/40/68/53/365406853.db2.gz XEKSEBNHQCFERT-LLVKDONJSA-N 2 2 273.377 0.561 10 0 CCAELP O=C(C[C@@H]1CSCC[NH2+]1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000091291303 283864568 /nfs/dbraw/zinc/86/45/68/283864568.db2.gz RFZRPNZNXJIIAD-OLZOCXBDSA-N 2 2 299.440 0.015 10 0 CCAELP CO[C@@H]1C[N@H+](CCCN2CCOCC2)[C@@](C)(C[NH3+])C1 ZINC000630362934 370064541 /nfs/dbraw/zinc/06/45/41/370064541.db2.gz BXWYLEBKSJRCAP-UONOGXRCSA-N 2 2 271.405 0.147 10 0 CCAELP CO[C@@H]1C[N@@H+](CCCN2CCOCC2)[C@@](C)(C[NH3+])C1 ZINC000630362934 370064545 /nfs/dbraw/zinc/06/45/45/370064545.db2.gz BXWYLEBKSJRCAP-UONOGXRCSA-N 2 2 271.405 0.147 10 0 CCAELP C[C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C[C@H]1[NH3+] ZINC000333348244 205241680 /nfs/dbraw/zinc/24/16/80/205241680.db2.gz ZUUDXEGBFUZKBB-BNOWGMLFSA-N 2 2 281.400 0.435 10 0 CCAELP C[C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C[C@H]1[NH3+] ZINC000333348244 205241685 /nfs/dbraw/zinc/24/16/85/205241685.db2.gz ZUUDXEGBFUZKBB-BNOWGMLFSA-N 2 2 281.400 0.435 10 0 CCAELP CCOCC[N@@H+]1CCN(c2cc[nH+]cc2C(N)=O)C[C@@H]1C ZINC000302206248 389064681 /nfs/dbraw/zinc/06/46/81/389064681.db2.gz DOTISAGFRSLMRZ-LBPRGKRZSA-N 2 2 292.383 0.728 10 0 CCAELP CCOCC[N@H+]1CCN(c2cc[nH+]cc2C(N)=O)C[C@@H]1C ZINC000302206248 389064685 /nfs/dbraw/zinc/06/46/85/389064685.db2.gz DOTISAGFRSLMRZ-LBPRGKRZSA-N 2 2 292.383 0.728 10 0 CCAELP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000111493107 389108329 /nfs/dbraw/zinc/10/83/29/389108329.db2.gz IWKJQSLGNBYNPQ-ZIAGYGMSSA-N 2 2 298.431 0.491 10 0 CCAELP CC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000111493107 389108331 /nfs/dbraw/zinc/10/83/31/389108331.db2.gz IWKJQSLGNBYNPQ-ZIAGYGMSSA-N 2 2 298.431 0.491 10 0 CCAELP CC[NH+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000111493107 389108334 /nfs/dbraw/zinc/10/83/34/389108334.db2.gz IWKJQSLGNBYNPQ-ZIAGYGMSSA-N 2 2 298.431 0.491 10 0 CCAELP CC[NH+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000111493107 389108338 /nfs/dbraw/zinc/10/83/38/389108338.db2.gz IWKJQSLGNBYNPQ-ZIAGYGMSSA-N 2 2 298.431 0.491 10 0 CCAELP C[C@]1([NH3+])CCCC[C@H]1C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000263250203 389298827 /nfs/dbraw/zinc/29/88/27/389298827.db2.gz PUQAPLVNJNIHCV-DZKIICNBSA-N 2 2 295.427 0.827 10 0 CCAELP O=C(NC[C@H](c1ccccc1)[NH+]1CCOCC1)C1C[NH2+]C1 ZINC000263347322 389299752 /nfs/dbraw/zinc/29/97/52/389299752.db2.gz ZORXBCGVSXBCKB-OAHLLOKOSA-N 2 2 289.379 0.396 10 0 CCAELP Cn1ncc2c1nc[nH+]c2N1CCO[C@H](C[NH+](C)C)C1 ZINC000171545867 389476531 /nfs/dbraw/zinc/47/65/31/389476531.db2.gz BYYOQMJQJOJCQI-SNVBAGLBSA-N 2 2 276.344 0.130 10 0 CCAELP CC1CC[NH+](CC[NH2+][C@H]2CCC(=O)N[C@H]2C)CC1 ZINC000440948467 390047328 /nfs/dbraw/zinc/04/73/28/390047328.db2.gz BFIXOBCSCJUSRM-STQMWFEESA-N 2 2 253.390 0.975 10 0 CCAELP C[C@@H](C(=O)NCC(C)(C)[NH+]1CCOCC1)C1C[NH2+]C1 ZINC000164378205 286773033 /nfs/dbraw/zinc/77/30/33/286773033.db2.gz HXIBFJAMRGNKRW-LLVKDONJSA-N 2 2 269.389 0.069 10 0 CCAELP C[N@@H+]1CCN(c2ncnc3c2CCCC3)[C@H](C[NH3+])C1 ZINC000122833982 411708267 /nfs/dbraw/zinc/70/82/67/411708267.db2.gz ZKXQCUFMNONGOA-LLVKDONJSA-N 2 2 261.373 0.435 10 0 CCAELP C[N@H+]1CCN(c2ncnc3c2CCCC3)[C@H](C[NH3+])C1 ZINC000122833982 411708271 /nfs/dbraw/zinc/70/82/71/411708271.db2.gz ZKXQCUFMNONGOA-LLVKDONJSA-N 2 2 261.373 0.435 10 0 CCAELP C[NH2+]Cc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000020188210 171053435 /nfs/dbraw/zinc/05/34/35/171053435.db2.gz BXEWYGHDUOSDFJ-UHFFFAOYSA-N 2 2 283.397 0.342 10 0 CCAELP O=C(NC[C@@H]1CCOC1)[C@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000038043289 174050214 /nfs/dbraw/zinc/05/02/14/174050214.db2.gz GIUUDCPXMVQISB-GXTWGEPZSA-N 2 2 281.400 0.356 10 0 CCAELP O=C(NC[C@@H]1CCOC1)[C@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000038043289 174050215 /nfs/dbraw/zinc/05/02/15/174050215.db2.gz GIUUDCPXMVQISB-GXTWGEPZSA-N 2 2 281.400 0.356 10 0 CCAELP O=C(N[C@@H]1C[C@H]2C[C@@H]1C[NH2+]2)c1ccn2cc[nH+]c2c1 ZINC000039073313 174162419 /nfs/dbraw/zinc/16/24/19/174162419.db2.gz ONLMJXSVHYOFAJ-IJLUTSLNSA-N 2 2 256.309 0.815 10 0 CCAELP COc1ccc([C@H]([C@@H](C)[NH3+])[NH+](CCO)CCO)cc1 ZINC000042961377 174926281 /nfs/dbraw/zinc/92/62/81/174926281.db2.gz UKFHFXAFOZBJCR-RISCZKNCSA-N 2 2 268.357 0.370 10 0 CCAELP COC(=O)[C@@H]1CCC[N@@H+]([C@@H]2COC[C@H]2C[NH+](C)C)C1 ZINC000725273852 545889511 /nfs/dbraw/zinc/88/95/11/545889511.db2.gz NCLBYKCDGURWTI-JHJVBQTASA-N 2 2 270.373 0.448 10 0 CCAELP COC(=O)[C@@H]1CCC[N@H+]([C@@H]2COC[C@H]2C[NH+](C)C)C1 ZINC000725273852 545889514 /nfs/dbraw/zinc/88/95/14/545889514.db2.gz NCLBYKCDGURWTI-JHJVBQTASA-N 2 2 270.373 0.448 10 0 CCAELP C[C@]1(C(=O)N2CC[NH+](Cc3ccccn3)CC2)CCC[NH2+]1 ZINC000079516772 544474485 /nfs/dbraw/zinc/47/44/85/544474485.db2.gz AOXMAPSLRFLYHE-MRXNPFEDSA-N 2 2 288.395 0.868 10 0 CCAELP CC[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[N@@H+]1CCOC ZINC000193292995 544804774 /nfs/dbraw/zinc/80/47/74/544804774.db2.gz DKNUJBIVFUWNED-AWEZNQCLSA-N 2 2 294.399 0.912 10 0 CCAELP CC[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[N@H+]1CCOC ZINC000193292995 544804777 /nfs/dbraw/zinc/80/47/77/544804777.db2.gz DKNUJBIVFUWNED-AWEZNQCLSA-N 2 2 294.399 0.912 10 0 CCAELP CC[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[N@@H+]1CCOC ZINC000193292995 544804778 /nfs/dbraw/zinc/80/47/78/544804778.db2.gz DKNUJBIVFUWNED-AWEZNQCLSA-N 2 2 294.399 0.912 10 0 CCAELP CC[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[N@H+]1CCOC ZINC000193292995 544804779 /nfs/dbraw/zinc/80/47/79/544804779.db2.gz DKNUJBIVFUWNED-AWEZNQCLSA-N 2 2 294.399 0.912 10 0 CCAELP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cccc2c1OCCO2 ZINC000262107062 544940914 /nfs/dbraw/zinc/94/09/14/544940914.db2.gz JRTXUNDRTOMLNY-RYUDHWBXSA-N 2 2 264.325 0.128 10 0 CCAELP Cn1ncc2c1nc(NC[C@]1(C)CCC[NH2+]C1)[nH+]c2N ZINC000333620328 545040762 /nfs/dbraw/zinc/04/07/62/545040762.db2.gz ZIXBRZSZSDSESR-CYBMUJFWSA-N 2 2 275.360 0.169 10 0 CCAELP CC(C)[C@H](C(=O)NC[C@H]1C[N@H+](C)CCO1)[C@H](C)[NH3+] ZINC000399453012 269767278 /nfs/dbraw/zinc/76/72/78/269767278.db2.gz RYVDJJPIIPVEQG-SRVKXCTJSA-N 2 2 257.378 0.053 10 0 CCAELP CC(C)[C@H](C(=O)NC[C@H]1C[N@@H+](C)CCO1)[C@H](C)[NH3+] ZINC000399453012 269767279 /nfs/dbraw/zinc/76/72/79/269767279.db2.gz RYVDJJPIIPVEQG-SRVKXCTJSA-N 2 2 257.378 0.053 10 0 CCAELP CC(C)[C@H](CNC(=O)[C@@H]1COCC[NH2+]1)[NH+]1CCC(C)CC1 ZINC000164905897 275699753 /nfs/dbraw/zinc/69/97/53/275699753.db2.gz PMZUNJIRAQLDOA-GJZGRUSLSA-N 2 2 297.443 0.848 10 0 CCAELP C[C@@]1(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)CCCC[NH2+]1 ZINC000136203179 278118238 /nfs/dbraw/zinc/11/82/38/278118238.db2.gz GCYCGCRKZJWLIJ-HIFRSBDPSA-N 2 2 281.400 0.452 10 0 CCAELP CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@H]2C[N@H+](C)CCO2)C1 ZINC000176437722 279150014 /nfs/dbraw/zinc/15/00/14/279150014.db2.gz YROAJBCDWJHVQB-KGLIPLIRSA-N 2 2 298.431 0.443 10 0 CCAELP CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@H]2C[N@@H+](C)CCO2)C1 ZINC000176437722 279150016 /nfs/dbraw/zinc/15/00/16/279150016.db2.gz YROAJBCDWJHVQB-KGLIPLIRSA-N 2 2 298.431 0.443 10 0 CCAELP CC1(C)COCC[N@@H+]1CCNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000181000967 281286158 /nfs/dbraw/zinc/28/61/58/281286158.db2.gz OTIIKEOEZSIXFN-HNNXBMFYSA-N 2 2 283.416 0.746 10 0 CCAELP CC1(C)COCC[N@H+]1CCNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000181000967 281286159 /nfs/dbraw/zinc/28/61/59/281286159.db2.gz OTIIKEOEZSIXFN-HNNXBMFYSA-N 2 2 283.416 0.746 10 0 CCAELP [NH3+][C@@H]1CCCC[C@H]1CC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062985581 295298840 /nfs/dbraw/zinc/29/88/40/295298840.db2.gz PPIASZKJHRQASX-SOUVJXGZSA-N 2 2 295.427 0.827 10 0 CCAELP C(CN1CCC[NH2+]CC1)[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000061275663 518389227 /nfs/dbraw/zinc/38/92/27/518389227.db2.gz RLKDVZUXCOWMGW-ZDUSSCGKSA-N 3 2 252.406 0.108 10 0 CCAELP C(CN1CCC[NH2+]CC1)[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000061275663 518389233 /nfs/dbraw/zinc/38/92/33/518389233.db2.gz RLKDVZUXCOWMGW-ZDUSSCGKSA-N 3 2 252.406 0.108 10 0 CCAELP CCC[NH2+][C@@H](CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[O-] ZINC000062443224 519992503 /nfs/dbraw/zinc/99/25/03/519992503.db2.gz TUTDVPKNDLNXEZ-ZDUSSCGKSA-N 2 2 271.405 0.855 10 0 CCAELP CCC[NH2+][C@@H](CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[O-] ZINC000062443224 519992518 /nfs/dbraw/zinc/99/25/18/519992518.db2.gz TUTDVPKNDLNXEZ-ZDUSSCGKSA-N 2 2 271.405 0.855 10 0 CCAELP CC(C)C[C@@](C)(C[NH3+])[NH+]1CCN(CC[NH+](C)C)CC1 ZINC000061643212 519285605 /nfs/dbraw/zinc/28/56/05/519285605.db2.gz FHVAGHNNZIVJAA-HNNXBMFYSA-N 3 2 270.465 0.929 10 0 CCAELP CC(C)C[C@](C)(C[NH3+])[NH+]1CCN(CC[NH+](C)C)CC1 ZINC000061643213 519422455 /nfs/dbraw/zinc/42/24/55/519422455.db2.gz FHVAGHNNZIVJAA-OAHLLOKOSA-N 3 2 270.465 0.929 10 0 CCAELP CC[NH2+][C@@H](CCN1CCC[C@@H]1C[NH+](C)C)C(=O)OC ZINC000062532638 520088408 /nfs/dbraw/zinc/08/84/08/520088408.db2.gz TUFBPENLWIVONB-OLZOCXBDSA-N 2 2 271.405 0.554 10 0 CCAELP C[NH2+]C[C@]1(CN2CCn3cc[nH+]c3C2)CCOC1 ZINC000062322126 522098710 /nfs/dbraw/zinc/09/87/10/522098710.db2.gz JPIYPRFJMFLZNG-ZDUSSCGKSA-N 2 2 250.346 0.325 10 0 CCAELP CC[C@](C)(C[NH2+]C)C[NH+]1CCN(CC[NH+](C)C)CC1 ZINC000061653738 523464469 /nfs/dbraw/zinc/46/44/69/523464469.db2.gz LXZRLOJLAHKEKV-OAHLLOKOSA-N 3 2 270.465 0.801 10 0 CCAELP COC(=O)[C@H](CCN1CC[NH+](C)CC1)[NH2+]C(C)C ZINC000062440590 523898885 /nfs/dbraw/zinc/89/88/85/523898885.db2.gz XYQYUZUPAYCCIA-LBPRGKRZSA-N 2 2 257.378 0.164 10 0 CCAELP C[C@@H]1CC[C@H]([NH3+])C[C@@H]1C(=O)NCC[NH+]1CCOCC1 ZINC000055123620 524685054 /nfs/dbraw/zinc/68/50/54/524685054.db2.gz NUIFJASNPXDIDK-AGIUHOORSA-N 2 2 269.389 0.198 10 0 CCAELP Cn1ncc(Br)c1C1=C[C@H]([NH3+])C[NH2+]C1 ZINC000675078187 545321326 /nfs/dbraw/zinc/32/13/26/545321326.db2.gz NDHNFARUBAFHFG-ZETCQYMHSA-N 2 2 257.135 0.497 10 0 CCAELP CC[C@H](O)C[NH+]1CCN(c2nc(N)cc(C)[nH+]2)CC1 ZINC000892582488 615828605 /nfs/dbraw/zinc/82/86/05/615828605.db2.gz IYUFXVLBYAIZSN-NSHDSACASA-N 2 2 265.361 0.260 10 0 CCAELP C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2[NH2+]CCc3ccccc32)C1 ZINC000091669126 349472002 /nfs/dbraw/zinc/47/20/02/349472002.db2.gz LORLWAJQRARTOM-ZFWWWQNUSA-N 2 2 289.379 0.320 10 0 CCAELP C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2[NH2+]CCc3ccccc32)C1 ZINC000091669126 349472004 /nfs/dbraw/zinc/47/20/04/349472004.db2.gz LORLWAJQRARTOM-ZFWWWQNUSA-N 2 2 289.379 0.320 10 0 CCAELP C[C@H](CNC(=O)NC[C@H]1C[N@H+](C)CCO1)C[NH+]1CCCC1 ZINC000105161247 349721162 /nfs/dbraw/zinc/72/11/62/349721162.db2.gz MFCHWCFNALDRHL-KGLIPLIRSA-N 2 2 298.431 0.348 10 0 CCAELP C[C@H](CNC(=O)NC[C@H]1C[N@@H+](C)CCO1)C[NH+]1CCCC1 ZINC000105161247 349721164 /nfs/dbraw/zinc/72/11/64/349721164.db2.gz MFCHWCFNALDRHL-KGLIPLIRSA-N 2 2 298.431 0.348 10 0 CCAELP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCn1cc[nH+]c1 ZINC000113575488 349816501 /nfs/dbraw/zinc/81/65/01/349816501.db2.gz RKDLDCQIANSQRC-CHWSQXEVSA-N 2 2 277.372 0.761 10 0 CCAELP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCn1cc[nH+]c1 ZINC000113575488 349816506 /nfs/dbraw/zinc/81/65/06/349816506.db2.gz RKDLDCQIANSQRC-CHWSQXEVSA-N 2 2 277.372 0.761 10 0 CCAELP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000115822503 349861104 /nfs/dbraw/zinc/86/11/04/349861104.db2.gz PQTYRRXQBPQURW-UONOGXRCSA-N 2 2 298.431 0.300 10 0 CCAELP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000115822503 349861105 /nfs/dbraw/zinc/86/11/05/349861105.db2.gz PQTYRRXQBPQURW-UONOGXRCSA-N 2 2 298.431 0.300 10 0 CCAELP CN(C[C@H]1CCC[NH+](C)C1)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000115822503 349861106 /nfs/dbraw/zinc/86/11/06/349861106.db2.gz PQTYRRXQBPQURW-UONOGXRCSA-N 2 2 298.431 0.300 10 0 CCAELP CN(C[C@H]1CCC[NH+](C)C1)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000115822503 349861107 /nfs/dbraw/zinc/86/11/07/349861107.db2.gz PQTYRRXQBPQURW-UONOGXRCSA-N 2 2 298.431 0.300 10 0 CCAELP CC1(C)COCC[N@@H+]1CCNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261745153 137017546 /nfs/dbraw/zinc/01/75/46/137017546.db2.gz MEKCHNGACMUTPG-CHWSQXEVSA-N 2 2 283.416 0.588 10 0 CCAELP CC1(C)COCC[N@H+]1CCNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261745153 137017547 /nfs/dbraw/zinc/01/75/47/137017547.db2.gz MEKCHNGACMUTPG-CHWSQXEVSA-N 2 2 283.416 0.588 10 0 CCAELP C[C@@H](CNC(=O)C[C@@H]1CCC[C@H]1[NH3+])[NH+]1CCOCC1 ZINC000261765212 137018647 /nfs/dbraw/zinc/01/86/47/137018647.db2.gz NXPJWFNGERAQDK-RWMBFGLXSA-N 2 2 269.389 0.341 10 0 CCAELP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)C1C[NH2+]C1 ZINC000263244375 137061503 /nfs/dbraw/zinc/06/15/03/137061503.db2.gz CTNXLNKJWWAFLD-UHFFFAOYSA-N 2 2 274.368 0.908 10 0 CCAELP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)[C@H]2COCC[NH2+]2)C1 ZINC000263254443 137061568 /nfs/dbraw/zinc/06/15/68/137061568.db2.gz KJBDUVVUYHNZOE-HZSPNIEDSA-N 2 2 297.443 0.848 10 0 CCAELP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)[C@H]2COCC[NH2+]2)C1 ZINC000263254443 137061569 /nfs/dbraw/zinc/06/15/69/137061569.db2.gz KJBDUVVUYHNZOE-HZSPNIEDSA-N 2 2 297.443 0.848 10 0 CCAELP O[C@@H](C[N@@H+]1CCC[NH2+]CC1)c1ccc2c(c1)OCO2 ZINC000041377111 348253018 /nfs/dbraw/zinc/25/30/18/348253018.db2.gz NFNCQRATSBGHEX-LBPRGKRZSA-N 2 2 264.325 0.744 10 0 CCAELP O[C@@H](C[N@H+]1CCC[NH2+]CC1)c1ccc2c(c1)OCO2 ZINC000041377111 348253022 /nfs/dbraw/zinc/25/30/22/348253022.db2.gz NFNCQRATSBGHEX-LBPRGKRZSA-N 2 2 264.325 0.744 10 0 CCAELP CN(Cc1[nH+]ccn1C)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054308185 348549719 /nfs/dbraw/zinc/54/97/19/348549719.db2.gz VNLFMGOVKHKXPB-NSHDSACASA-N 2 2 250.346 0.768 10 0 CCAELP COC(=O)C1=C(O)CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000070460876 348891439 /nfs/dbraw/zinc/89/14/39/348891439.db2.gz YBODLLKAMKIXJT-ZDUSSCGKSA-N 2 2 282.384 0.926 10 0 CCAELP COC(=O)C1=C(O)CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000070460876 348891441 /nfs/dbraw/zinc/89/14/41/348891441.db2.gz YBODLLKAMKIXJT-ZDUSSCGKSA-N 2 2 282.384 0.926 10 0 CCAELP C[N@@H+]1CCN(c2ncc(Cl)cc2F)[C@H](C[NH3+])C1 ZINC000122795817 350069136 /nfs/dbraw/zinc/06/91/36/350069136.db2.gz HOWFTXBIYXPXRP-SECBINFHSA-N 2 2 258.728 0.953 10 0 CCAELP C[N@H+]1CCN(c2ncc(Cl)cc2F)[C@H](C[NH3+])C1 ZINC000122795817 350069138 /nfs/dbraw/zinc/06/91/38/350069138.db2.gz HOWFTXBIYXPXRP-SECBINFHSA-N 2 2 258.728 0.953 10 0 CCAELP CN(CC1CC[NH+](C)CC1)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000104797983 186023300 /nfs/dbraw/zinc/02/33/00/186023300.db2.gz GWTQBUCSUGRVRQ-CQSZACIVSA-N 2 2 298.431 0.300 10 0 CCAELP CN(CC1CC[NH+](C)CC1)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000104797983 186023302 /nfs/dbraw/zinc/02/33/02/186023302.db2.gz GWTQBUCSUGRVRQ-CQSZACIVSA-N 2 2 298.431 0.300 10 0 CCAELP CC[C@@H]([NH2+]C[C@@H]1CCCN1c1cc(NC)[nH+]cn1)C(N)=O ZINC000105797897 186071671 /nfs/dbraw/zinc/07/16/71/186071671.db2.gz JZUOQYVVKCYZRJ-WDEREUQCSA-N 2 2 292.387 0.341 10 0 CCAELP COCC[N@@H+]1CCN(Cc2[nH+]ccn2C)C[C@H]1C ZINC000105833862 186076887 /nfs/dbraw/zinc/07/68/87/186076887.db2.gz UFPKGUAISYTMSZ-GFCCVEGCSA-N 2 2 252.362 0.573 10 0 CCAELP COCC[N@H+]1CCN(Cc2[nH+]ccn2C)C[C@H]1C ZINC000105833862 186076889 /nfs/dbraw/zinc/07/68/89/186076889.db2.gz UFPKGUAISYTMSZ-GFCCVEGCSA-N 2 2 252.362 0.573 10 0 CCAELP CC[C@@H]1CN(C(=O)C[NH+](C)C)CC[N@@H+]1CCOC ZINC000172309468 350975712 /nfs/dbraw/zinc/97/57/12/350975712.db2.gz UWDBHMWYGIRFKR-GFCCVEGCSA-N 2 2 257.378 0.117 10 0 CCAELP CC[C@@H]1CN(C(=O)C[NH+](C)C)CC[N@H+]1CCOC ZINC000172309468 350975714 /nfs/dbraw/zinc/97/57/14/350975714.db2.gz UWDBHMWYGIRFKR-GFCCVEGCSA-N 2 2 257.378 0.117 10 0 CCAELP CCOC(=O)C[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174882781 351108782 /nfs/dbraw/zinc/10/87/82/351108782.db2.gz IKWRVTZFVHRRQG-AWEZNQCLSA-N 2 2 283.416 0.651 10 0 CCAELP CCOC(=O)C[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174882781 351108786 /nfs/dbraw/zinc/10/87/86/351108786.db2.gz IKWRVTZFVHRRQG-AWEZNQCLSA-N 2 2 283.416 0.651 10 0 CCAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCCC(=O)NC(N)=O ZINC000178324368 351228353 /nfs/dbraw/zinc/22/83/53/351228353.db2.gz DGURWXAVTRKRGS-LBPRGKRZSA-N 2 2 293.371 0.631 10 0 CCAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCCC(=O)NC(N)=O ZINC000178324368 351228357 /nfs/dbraw/zinc/22/83/57/351228357.db2.gz DGURWXAVTRKRGS-LBPRGKRZSA-N 2 2 293.371 0.631 10 0 CCAELP C[C@@H](CNC(=O)N(C)CC[N@H+](C)C1CC1)[NH+]1CCOCC1 ZINC000185137977 351433402 /nfs/dbraw/zinc/43/34/02/351433402.db2.gz KGNGXYMPGUKJKZ-ZDUSSCGKSA-N 2 2 298.431 0.443 10 0 CCAELP C[C@@H](CNC(=O)N(C)CC[N@@H+](C)C1CC1)[NH+]1CCOCC1 ZINC000185137977 351433407 /nfs/dbraw/zinc/43/34/07/351433407.db2.gz KGNGXYMPGUKJKZ-ZDUSSCGKSA-N 2 2 298.431 0.443 10 0 CCAELP C[N@H+](CC(=O)NC[C@@H]1CCCO1)[C@@H]1CCC[NH2+]CC1 ZINC000226468035 352028278 /nfs/dbraw/zinc/02/82/78/352028278.db2.gz TVBBZSBTJZJDFB-OLZOCXBDSA-N 2 2 269.389 0.356 10 0 CCAELP C[N@@H+](CC(=O)NC[C@@H]1CCCO1)[C@@H]1CCC[NH2+]CC1 ZINC000226468035 352028281 /nfs/dbraw/zinc/02/82/81/352028281.db2.gz TVBBZSBTJZJDFB-OLZOCXBDSA-N 2 2 269.389 0.356 10 0 CCAELP C[N@@H+]1CCN(c2ncnc3ccccc32)[C@@H](C[NH3+])C1 ZINC000226622276 352031344 /nfs/dbraw/zinc/03/13/44/352031344.db2.gz MVRFJVINLDQKKG-NSHDSACASA-N 2 2 257.341 0.709 10 0 CCAELP C[N@H+]1CCN(c2ncnc3ccccc32)[C@@H](C[NH3+])C1 ZINC000226622276 352031348 /nfs/dbraw/zinc/03/13/48/352031348.db2.gz MVRFJVINLDQKKG-NSHDSACASA-N 2 2 257.341 0.709 10 0 CCAELP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC[NH+]1CCOCC1 ZINC000247066933 352396461 /nfs/dbraw/zinc/39/64/61/352396461.db2.gz HLGXANJUUOFAFY-KBPBESRZSA-N 2 2 296.415 0.197 10 0 CCAELP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCC[NH+]1CCOCC1 ZINC000247066933 352396465 /nfs/dbraw/zinc/39/64/65/352396465.db2.gz HLGXANJUUOFAFY-KBPBESRZSA-N 2 2 296.415 0.197 10 0 CCAELP C[N@@H+]1CCN(c2cncc(Br)c2)[C@H](C[NH3+])C1 ZINC000300732367 354067790 /nfs/dbraw/zinc/06/77/90/354067790.db2.gz FBCPNHKIQHADBB-LLVKDONJSA-N 2 2 285.189 0.923 10 0 CCAELP C[N@H+]1CCN(c2cncc(Br)c2)[C@H](C[NH3+])C1 ZINC000300732367 354067792 /nfs/dbraw/zinc/06/77/92/354067792.db2.gz FBCPNHKIQHADBB-LLVKDONJSA-N 2 2 285.189 0.923 10 0 CCAELP O=C(N[C@H]1CCCC[NH2+]C1)N1CCn2c[nH+]cc2C1 ZINC000333716701 354782386 /nfs/dbraw/zinc/78/23/86/354782386.db2.gz TYGCRSKCOMUQHH-NSHDSACASA-N 2 2 263.345 0.550 10 0 CCAELP CO[C@H]1C[N@H+](CCN2CCCC2=O)[C@@](C)(C[NH3+])C1 ZINC000630366702 370067527 /nfs/dbraw/zinc/06/75/27/370067527.db2.gz YOIDYOCDJIVNFX-DGCLKSJQSA-N 2 2 255.362 0.047 10 0 CCAELP CO[C@H]1C[N@@H+](CCN2CCCC2=O)[C@@](C)(C[NH3+])C1 ZINC000630366702 370067531 /nfs/dbraw/zinc/06/75/31/370067531.db2.gz YOIDYOCDJIVNFX-DGCLKSJQSA-N 2 2 255.362 0.047 10 0 CCAELP Cn1ncc2c1nc[nH+]c2NCCOCCC[NH3+] ZINC000630534718 370154079 /nfs/dbraw/zinc/15/40/79/370154079.db2.gz OPBVDUZUVJNXLY-UHFFFAOYSA-N 2 2 250.306 0.141 10 0 CCAELP O=C(NCCCCn1cc[nH+]c1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000567786968 291513975 /nfs/dbraw/zinc/51/39/75/291513975.db2.gz YTSSLZPBGASSDK-SNVBAGLBSA-N 2 2 272.299 0.777 10 0 CCAELP C[C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C[C@H]1[NH3+] ZINC000333302624 205199016 /nfs/dbraw/zinc/19/90/16/205199016.db2.gz QHUDAKGZMQBMPF-MRVWCRGKSA-N 2 2 281.400 0.293 10 0 CCAELP C[C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)C[C@H]1[NH3+] ZINC000333302624 205199020 /nfs/dbraw/zinc/19/90/20/205199020.db2.gz QHUDAKGZMQBMPF-MRVWCRGKSA-N 2 2 281.400 0.293 10 0 CCAELP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000333299874 205196495 /nfs/dbraw/zinc/19/64/95/205196495.db2.gz PWLXSZNCWJLWFL-UBHSHLNASA-N 2 2 281.400 0.435 10 0 CCAELP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000333299874 205196499 /nfs/dbraw/zinc/19/64/99/205196499.db2.gz PWLXSZNCWJLWFL-UBHSHLNASA-N 2 2 281.400 0.435 10 0 CCAELP [NH3+]C[C@H]1CN(c2cc(NC3CC3)[nH+]cn2)CCCO1 ZINC000333475927 205354403 /nfs/dbraw/zinc/35/44/03/205354403.db2.gz BKXQTNFVPJAHMT-NSHDSACASA-N 2 2 263.345 0.605 10 0 CCAELP [NH3+]C[C@H]1CN(c2cc(NC3CC3)nc[nH+]2)CCCO1 ZINC000333475927 205354407 /nfs/dbraw/zinc/35/44/07/205354407.db2.gz BKXQTNFVPJAHMT-NSHDSACASA-N 2 2 263.345 0.605 10 0 CCAELP CCCc1csc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)n1 ZINC000263140628 535451148 /nfs/dbraw/zinc/45/11/48/535451148.db2.gz CGECHIFCWOBBGV-ONGXEEELSA-N 2 2 255.387 0.766 10 0 CCAELP CCOCC[N@@H+]1CCN(CCC[NH+]2CCOCC2)C[C@H]1C ZINC000247519211 285053606 /nfs/dbraw/zinc/05/36/06/285053606.db2.gz NGGCQKCPVDRHKA-MRXNPFEDSA-N 2 2 299.459 0.751 10 0 CCAELP CCOCC[N@H+]1CCN(CCC[NH+]2CCOCC2)C[C@H]1C ZINC000247519211 285053614 /nfs/dbraw/zinc/05/36/14/285053614.db2.gz NGGCQKCPVDRHKA-MRXNPFEDSA-N 2 2 299.459 0.751 10 0 CCAELP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000085375095 389006104 /nfs/dbraw/zinc/00/61/04/389006104.db2.gz GQFXSIAHFKICES-RWMBFGLXSA-N 2 2 267.373 0.047 10 0 CCAELP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC000245415255 389206435 /nfs/dbraw/zinc/20/64/35/389206435.db2.gz DBJGKXGCHFIFHC-HZSPNIEDSA-N 2 2 281.400 0.402 10 0 CCAELP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC000245415255 389206437 /nfs/dbraw/zinc/20/64/37/389206437.db2.gz DBJGKXGCHFIFHC-HZSPNIEDSA-N 2 2 281.400 0.402 10 0 CCAELP CC[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000245415255 389206440 /nfs/dbraw/zinc/20/64/40/389206440.db2.gz DBJGKXGCHFIFHC-HZSPNIEDSA-N 2 2 281.400 0.402 10 0 CCAELP CC[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000245415255 389206442 /nfs/dbraw/zinc/20/64/42/389206442.db2.gz DBJGKXGCHFIFHC-HZSPNIEDSA-N 2 2 281.400 0.402 10 0 CCAELP COC[C@H](O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000127010489 389172997 /nfs/dbraw/zinc/17/29/97/389172997.db2.gz GBEFJAPIFUBYJM-QWHCGFSZSA-N 2 2 265.357 0.823 10 0 CCAELP COC[C@H](O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000127010489 389172999 /nfs/dbraw/zinc/17/29/99/389172999.db2.gz GBEFJAPIFUBYJM-QWHCGFSZSA-N 2 2 265.357 0.823 10 0 CCAELP Cn1cccc1C[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000161766958 389410238 /nfs/dbraw/zinc/41/02/38/389410238.db2.gz QZOXXZHUKGPXEN-CQSZACIVSA-N 2 2 251.374 0.962 10 0 CCAELP Cc1nc(N2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc[nH+]1 ZINC000333897883 389448348 /nfs/dbraw/zinc/44/83/48/389448348.db2.gz IFTBAXCFLFPXFQ-LBPRGKRZSA-N 2 2 275.356 0.186 10 0 CCAELP CC(C)[NH+]1CCC(C(=O)NC[C@H]2C[N@H+](C)CCO2)CC1 ZINC000174392196 389520398 /nfs/dbraw/zinc/52/03/98/389520398.db2.gz IXBOHKYGTBQNMN-AWEZNQCLSA-N 2 2 283.416 0.554 10 0 CCAELP CC(C)[NH+]1CCC(C(=O)NC[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000174392196 389520404 /nfs/dbraw/zinc/52/04/04/389520404.db2.gz IXBOHKYGTBQNMN-AWEZNQCLSA-N 2 2 283.416 0.554 10 0 CCAELP O=C([C@@H]1CC[NH2+]CC1(F)F)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000335120228 389538306 /nfs/dbraw/zinc/53/83/06/389538306.db2.gz VJQPSDGOVKDGEM-RYUDHWBXSA-N 2 2 287.354 0.928 10 0 CCAELP O=C([C@@H]1CC[NH2+]CC1(F)F)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000335120228 389538309 /nfs/dbraw/zinc/53/83/09/389538309.db2.gz VJQPSDGOVKDGEM-RYUDHWBXSA-N 2 2 287.354 0.928 10 0 CCAELP CCOC(=O)CC[C@H](O)C[NH2+][C@@H]1CC[N@H+](CC)C1 ZINC000389384044 389771761 /nfs/dbraw/zinc/77/17/61/389771761.db2.gz YDNRMVZUTKJDDR-NEPJUHHUSA-N 2 2 258.362 0.374 10 0 CCAELP CCOC(=O)CC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](CC)C1 ZINC000389384044 389771764 /nfs/dbraw/zinc/77/17/64/389771764.db2.gz YDNRMVZUTKJDDR-NEPJUHHUSA-N 2 2 258.362 0.374 10 0 CCAELP Cc1cc(C[NH2+]C[C@@H](O)C[NH+]2CCCCC2)n(C)n1 ZINC000417876888 389859953 /nfs/dbraw/zinc/85/99/53/389859953.db2.gz PKGSVHYOWKDBGM-CQSZACIVSA-N 2 2 266.389 0.665 10 0 CCAELP O=C(NCC[NH+]1CCCCCC1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000368495269 144228377 /nfs/dbraw/zinc/22/83/77/144228377.db2.gz SXKFLBZWEMGQMD-LLVKDONJSA-N 2 2 275.343 0.976 10 0 CCAELP CC[C@@H]1CN([C@H](C)C[NH+]2CCOCC2)CC[N@@H+]1C[C@@H](C)O ZINC000246172157 287210392 /nfs/dbraw/zinc/21/03/92/287210392.db2.gz VKSPZBKDUHNWGA-BZUAXINKSA-N 2 2 299.459 0.484 10 0 CCAELP CC[C@@H]1CN([C@H](C)C[NH+]2CCOCC2)CC[N@H+]1C[C@@H](C)O ZINC000246172157 287210393 /nfs/dbraw/zinc/21/03/93/287210393.db2.gz VKSPZBKDUHNWGA-BZUAXINKSA-N 2 2 299.459 0.484 10 0 CCAELP O=C([C@@H]1CC12CC[NH2+]CC2)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000070256634 411692913 /nfs/dbraw/zinc/69/29/13/411692913.db2.gz CWEIDJQIFKDZFY-KGLIPLIRSA-N 2 2 293.411 0.309 10 0 CCAELP C[C@@H]([NH3+])c1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000020187810 171052814 /nfs/dbraw/zinc/05/28/14/171052814.db2.gz HRFGZUKBUNKHBG-LLVKDONJSA-N 2 2 283.397 0.642 10 0 CCAELP CN([C@@H]1CCSC1)[C@]1(C[NH3+])C[NH+]2CCC1CC2 ZINC000037174571 173009675 /nfs/dbraw/zinc/00/96/75/173009675.db2.gz IIPRKZJFDTXPAJ-CHWSQXEVSA-N 2 2 255.431 0.847 10 0 CCAELP CCOC(=O)NC(=O)C[N@H+](CC)C1CC[NH2+]CC1 ZINC000037538365 173258492 /nfs/dbraw/zinc/25/84/92/173258492.db2.gz MFEXFCFGHDWWNK-UHFFFAOYSA-N 2 2 257.334 0.333 10 0 CCAELP CCOC(=O)NC(=O)C[N@@H+](CC)C1CC[NH2+]CC1 ZINC000037538365 173258493 /nfs/dbraw/zinc/25/84/93/173258493.db2.gz MFEXFCFGHDWWNK-UHFFFAOYSA-N 2 2 257.334 0.333 10 0 CCAELP CN(CC(=O)N1CC[NH2+]CC1)Cc1cn2ccccc2[nH+]1 ZINC000038031488 174026119 /nfs/dbraw/zinc/02/61/19/174026119.db2.gz IBDHUALDTWDBRP-UHFFFAOYSA-N 2 2 287.367 0.198 10 0 CCAELP C[N@@H+]1CCO[C@H](CNC(=O)C2([NH3+])CC3(CCC3)C2)C1 ZINC000662789089 414794492 /nfs/dbraw/zinc/79/44/92/414794492.db2.gz RWCAMRXJPACNHA-LLVKDONJSA-N 2 2 267.373 0.095 10 0 CCAELP C[N@H+]1CCO[C@H](CNC(=O)C2([NH3+])CC3(CCC3)C2)C1 ZINC000662789089 414794500 /nfs/dbraw/zinc/79/45/00/414794500.db2.gz RWCAMRXJPACNHA-LLVKDONJSA-N 2 2 267.373 0.095 10 0 CCAELP CC[C@H](C)NC(=O)[C@H](C)[N@H+](CCC[NH3+])CCOC ZINC000071224822 176088957 /nfs/dbraw/zinc/08/89/57/176088957.db2.gz OSNHMITVXOQEIU-RYUDHWBXSA-N 2 2 259.394 0.587 10 0 CCAELP CC[C@H](C)NC(=O)[C@H](C)[N@@H+](CCC[NH3+])CCOC ZINC000071224822 176088958 /nfs/dbraw/zinc/08/89/58/176088958.db2.gz OSNHMITVXOQEIU-RYUDHWBXSA-N 2 2 259.394 0.587 10 0 CCAELP CCOC(=O)[C@@H]1CCC[N@@H+]([C@H]2COC[C@H]2C[NH+](C)C)C1 ZINC000725273847 545889100 /nfs/dbraw/zinc/88/91/00/545889100.db2.gz NBZDUCDJTHPBKE-MCIONIFRSA-N 2 2 284.400 0.838 10 0 CCAELP CCOC(=O)[C@@H]1CCC[N@H+]([C@H]2COC[C@H]2C[NH+](C)C)C1 ZINC000725273847 545889104 /nfs/dbraw/zinc/88/91/04/545889104.db2.gz NBZDUCDJTHPBKE-MCIONIFRSA-N 2 2 284.400 0.838 10 0 CCAELP O=C([C@H]1COCC[NH2+]1)N1CC[NH+](Cc2cccs2)CC1 ZINC000088370425 544505788 /nfs/dbraw/zinc/50/57/88/544505788.db2.gz QUIHPNZMYZYGHG-CYBMUJFWSA-N 2 2 295.408 0.381 10 0 CCAELP CC[N@@H+]1CCO[C@H](CN[C@H]2C[C@H](C)[NH+](C3CC3)C2)C1 ZINC000252728063 544931946 /nfs/dbraw/zinc/93/19/46/544931946.db2.gz XOVZKDGWYHPCMT-KCQAQPDRSA-N 2 2 267.417 0.922 10 0 CCAELP CC[N@H+]1CCO[C@H](CN[C@H]2C[C@H](C)[NH+](C3CC3)C2)C1 ZINC000252728063 544931950 /nfs/dbraw/zinc/93/19/50/544931950.db2.gz XOVZKDGWYHPCMT-KCQAQPDRSA-N 2 2 267.417 0.922 10 0 CCAELP CC[NH+]1CCO[C@H](CN[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)C1 ZINC000252728063 544931952 /nfs/dbraw/zinc/93/19/52/544931952.db2.gz XOVZKDGWYHPCMT-KCQAQPDRSA-N 2 2 267.417 0.922 10 0 CCAELP CC[NH+]1CCO[C@H](CN[C@H]2C[C@H](C)[N@H+](C3CC3)C2)C1 ZINC000252728063 544931956 /nfs/dbraw/zinc/93/19/56/544931956.db2.gz XOVZKDGWYHPCMT-KCQAQPDRSA-N 2 2 267.417 0.922 10 0 CCAELP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1nccn1CC(F)(F)F ZINC000262105551 544940745 /nfs/dbraw/zinc/94/07/45/544940745.db2.gz JLPSUQBRSXYPOJ-IUCAKERBSA-N 2 2 278.278 0.115 10 0 CCAELP O[C@H]1C[NH2+]C[C@H]1CNCc1[nH+]ccn1CC(F)(F)F ZINC000262105551 544940748 /nfs/dbraw/zinc/94/07/48/544940748.db2.gz JLPSUQBRSXYPOJ-IUCAKERBSA-N 2 2 278.278 0.115 10 0 CCAELP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000262151605 544942277 /nfs/dbraw/zinc/94/22/77/544942277.db2.gz RGFUBOSPZOOKGD-HIFRSBDPSA-N 3 2 272.352 0.542 10 0 CCAELP C[C@@H]1CN(C(=O)[C@@H]2CCCn3cc[nH+]c32)CC[N@@H+]1CCO ZINC000188694968 274328424 /nfs/dbraw/zinc/32/84/24/274328424.db2.gz PWLLKFWYWDRHLB-CHWSQXEVSA-N 2 2 292.383 0.286 10 0 CCAELP C[C@@H]1CN(C(=O)[C@@H]2CCCn3cc[nH+]c32)CC[N@H+]1CCO ZINC000188694968 274328425 /nfs/dbraw/zinc/32/84/25/274328425.db2.gz PWLLKFWYWDRHLB-CHWSQXEVSA-N 2 2 292.383 0.286 10 0 CCAELP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CCCC[C@@H]1CO ZINC000261568499 278217385 /nfs/dbraw/zinc/21/73/85/278217385.db2.gz JEGMQIUYYBXZDP-SYQHCUMBSA-N 2 2 256.390 0.894 10 0 CCAELP O=C1C[NH2+]CCN1[C@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000333926831 280266181 /nfs/dbraw/zinc/26/61/81/280266181.db2.gz VVHIQUFDZXOPPP-LBPRGKRZSA-N 2 2 299.378 0.964 10 0 CCAELP CC[C@H]1CN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)CC[N@@H+]1C ZINC000069051720 523298428 /nfs/dbraw/zinc/29/84/28/523298428.db2.gz FPOMHLFVZNRWIR-NWDGAFQWSA-N 2 2 275.418 0.094 10 0 CCAELP CC[C@H]1CN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)CC[N@H+]1C ZINC000069051720 523298437 /nfs/dbraw/zinc/29/84/37/523298437.db2.gz FPOMHLFVZNRWIR-NWDGAFQWSA-N 2 2 275.418 0.094 10 0 CCAELP CC(C)S(=O)(=O)CC[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000261542574 535093056 /nfs/dbraw/zinc/09/30/56/535093056.db2.gz PNFZSHWUPWYBHV-NWDGAFQWSA-N 2 2 262.419 0.869 10 0 CCAELP CC(C)S(=O)(=O)CC[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000261542574 535093059 /nfs/dbraw/zinc/09/30/59/535093059.db2.gz PNFZSHWUPWYBHV-NWDGAFQWSA-N 2 2 262.419 0.869 10 0 CCAELP CCOc1cccc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)n1 ZINC000263270701 535460323 /nfs/dbraw/zinc/46/03/23/535460323.db2.gz SDWUHCUVWKFZHM-JQWIXIFHSA-N 2 2 251.330 0.150 10 0 CCAELP COC(=O)[C@H]1CCC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000312107201 625371659 /nfs/dbraw/zinc/37/16/59/625371659.db2.gz KRQAFCYAGVHYSF-QWHCGFSZSA-N 2 2 270.373 0.328 10 0 CCAELP COC(=O)[C@H]1CCC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000312107201 625371664 /nfs/dbraw/zinc/37/16/64/625371664.db2.gz KRQAFCYAGVHYSF-QWHCGFSZSA-N 2 2 270.373 0.328 10 0 CCAELP C[C@@H]1CN(C(=O)C[N@H+](C)[C@@H]2CCC[NH2+]CC2)CCO1 ZINC000231670359 637225884 /nfs/dbraw/zinc/22/58/84/637225884.db2.gz AXIKKKGTQXWVRP-CHWSQXEVSA-N 2 2 269.389 0.308 10 0 CCAELP C[C@@H]1CN(C(=O)C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)CCO1 ZINC000231670359 637225889 /nfs/dbraw/zinc/22/58/89/637225889.db2.gz AXIKKKGTQXWVRP-CHWSQXEVSA-N 2 2 269.389 0.308 10 0 CCAELP O[C@H]1CC[N@@H+]([C@H]2CCC[C@H]2[NH2+]CCc2cn[nH]c2)C1 ZINC000886082447 647898909 /nfs/dbraw/zinc/89/89/09/647898909.db2.gz BODUIVCUUFGCAB-MJBXVCDLSA-N 2 2 264.373 0.530 10 0 CCAELP O[C@H]1CC[N@H+]([C@H]2CCC[C@H]2[NH2+]CCc2cn[nH]c2)C1 ZINC000886082447 647898911 /nfs/dbraw/zinc/89/89/11/647898911.db2.gz BODUIVCUUFGCAB-MJBXVCDLSA-N 2 2 264.373 0.530 10 0 CCAELP [NH3+]CC(=O)N1CCC[N@H+](Cc2ccccc2F)CC1 ZINC000082572672 178111310 /nfs/dbraw/zinc/11/13/10/178111310.db2.gz ZUSTVHKLWHNTJT-UHFFFAOYSA-N 2 2 265.332 0.819 10 0 CCAELP [NH3+]CC(=O)N1CCC[N@@H+](Cc2ccccc2F)CC1 ZINC000082572672 178111311 /nfs/dbraw/zinc/11/13/11/178111311.db2.gz ZUSTVHKLWHNTJT-UHFFFAOYSA-N 2 2 265.332 0.819 10 0 CCAELP C[C@H](CNC(=O)NC[C@H]1C[N@H+](C)CCO1)[NH+](C)C1CC1 ZINC000105263672 349721492 /nfs/dbraw/zinc/72/14/92/349721492.db2.gz DHYGJHNDNGZGFW-YPMHNXCESA-N 2 2 284.404 0.099 10 0 CCAELP C[C@H](CNC(=O)NC[C@H]1C[N@@H+](C)CCO1)[NH+](C)C1CC1 ZINC000105263672 349721494 /nfs/dbraw/zinc/72/14/94/349721494.db2.gz DHYGJHNDNGZGFW-YPMHNXCESA-N 2 2 284.404 0.099 10 0 CCAELP C[C@H](CNC(=O)NC[C@H]1C[NH+](C)CCO1)[N@H+](C)C1CC1 ZINC000105263672 349721496 /nfs/dbraw/zinc/72/14/96/349721496.db2.gz DHYGJHNDNGZGFW-YPMHNXCESA-N 2 2 284.404 0.099 10 0 CCAELP C[C@H](CNC(=O)NC[C@H]1C[NH+](C)CCO1)[N@@H+](C)C1CC1 ZINC000105263672 349721497 /nfs/dbraw/zinc/72/14/97/349721497.db2.gz DHYGJHNDNGZGFW-YPMHNXCESA-N 2 2 284.404 0.099 10 0 CCAELP C[C@H](CNC(=O)NC[C@H]1CCC[N@H+](C)C1)[NH+]1CCOCC1 ZINC000108552157 349750255 /nfs/dbraw/zinc/75/02/55/349750255.db2.gz HCHIFPMCPVHYDK-ZIAGYGMSSA-N 2 2 298.431 0.348 10 0 CCAELP C[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](C)C1)[NH+]1CCOCC1 ZINC000108552157 349750260 /nfs/dbraw/zinc/75/02/60/349750260.db2.gz HCHIFPMCPVHYDK-ZIAGYGMSSA-N 2 2 298.431 0.348 10 0 CCAELP OC[C@H]1CCCN(c2cc(N[C@H]3CCC[NH2+]C3)nc[nH+]2)C1 ZINC000333123450 136385408 /nfs/dbraw/zinc/38/54/08/136385408.db2.gz AAPRGLZUOSSNDY-STQMWFEESA-N 2 2 291.399 0.849 10 0 CCAELP Fc1cncc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000261613668 137012300 /nfs/dbraw/zinc/01/23/00/137012300.db2.gz SVNLLRMHKYKTIT-AWEZNQCLSA-N 2 2 264.348 0.700 10 0 CCAELP COc1cccc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)c1OC ZINC000262163344 137028938 /nfs/dbraw/zinc/02/89/38/137028938.db2.gz TUDCPPLRYVEVHM-RYUDHWBXSA-N 2 2 266.341 0.374 10 0 CCAELP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2COCC[NH2+]2)C1 ZINC000263235714 137061408 /nfs/dbraw/zinc/06/14/08/137061408.db2.gz DOGQRTKXXWVNJN-QWHCGFSZSA-N 2 2 283.416 0.602 10 0 CCAELP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2COCC[NH2+]2)C1 ZINC000263235714 137061409 /nfs/dbraw/zinc/06/14/09/137061409.db2.gz DOGQRTKXXWVNJN-QWHCGFSZSA-N 2 2 283.416 0.602 10 0 CCAELP CN1CC[NH2+]C[C@H]1c1noc(-c2ccc3[nH+]ccn3c2)n1 ZINC000263273171 137062542 /nfs/dbraw/zinc/06/25/42/137062542.db2.gz SLGBKWFMPWTNJF-NSHDSACASA-N 2 2 284.323 0.960 10 0 CCAELP CN1CC[NH2+]C[C@@H]1c1noc(-c2ccc3[nH+]ccn3c2)n1 ZINC000263273169 137062587 /nfs/dbraw/zinc/06/25/87/137062587.db2.gz SLGBKWFMPWTNJF-LLVKDONJSA-N 2 2 284.323 0.960 10 0 CCAELP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC000263196445 137059842 /nfs/dbraw/zinc/05/98/42/137059842.db2.gz ILUWGVNSXSCFAZ-AAEUAGOBSA-N 2 2 282.771 0.945 10 0 CCAELP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC000263226260 137060954 /nfs/dbraw/zinc/06/09/54/137060954.db2.gz MVSDTDMFGDBJFP-DOMZBBRYSA-N 2 2 272.352 0.542 10 0 CCAELP O[C@@H]1C[NH2+]C[C@@H](Oc2ccccc2)[C@H]1c1c[nH]c[nH+]1 ZINC000038476286 348226990 /nfs/dbraw/zinc/22/69/90/348226990.db2.gz URDVGFOVWHMGHT-MCIONIFRSA-N 2 2 259.309 0.905 10 0 CCAELP CCNC(=O)CC[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000079489519 349179502 /nfs/dbraw/zinc/17/95/02/349179502.db2.gz SBDDHFWWIIAYDY-CYBMUJFWSA-N 2 2 283.416 0.698 10 0 CCAELP CCNC(=O)CC[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000079489519 349179505 /nfs/dbraw/zinc/17/95/05/349179505.db2.gz SBDDHFWWIIAYDY-CYBMUJFWSA-N 2 2 283.416 0.698 10 0 CCAELP O=C(NCCn1cc[nH+]c1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105064573 186039435 /nfs/dbraw/zinc/03/94/35/186039435.db2.gz MCKAQJHPIUZOLP-CYBMUJFWSA-N 2 2 277.372 0.763 10 0 CCAELP O=C(NCCn1cc[nH+]c1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000105064573 186039437 /nfs/dbraw/zinc/03/94/37/186039437.db2.gz MCKAQJHPIUZOLP-CYBMUJFWSA-N 2 2 277.372 0.763 10 0 CCAELP C[C@H](CNC(=O)N1CCC[C@@H]([NH+](C)C)C1)[NH+]1CCOCC1 ZINC000105124315 186044121 /nfs/dbraw/zinc/04/41/21/186044121.db2.gz NEQXRXQNGCBVNW-ZIAGYGMSSA-N 2 2 298.431 0.443 10 0 CCAELP CC[C@@H]([NH2+]C[C@H]1CCCN1c1cc(NC)[nH+]cn1)C(N)=O ZINC000105797903 186070919 /nfs/dbraw/zinc/07/09/19/186070919.db2.gz JZUOQYVVKCYZRJ-GHMZBOCLSA-N 2 2 292.387 0.341 10 0 CCAELP CCNC(=O)C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105915999 186089277 /nfs/dbraw/zinc/08/92/77/186089277.db2.gz WEXIQXVCICKUGB-UHFFFAOYSA-N 2 2 293.415 0.415 10 0 CCAELP CCNC(=O)C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105915999 186089279 /nfs/dbraw/zinc/08/92/79/186089279.db2.gz WEXIQXVCICKUGB-UHFFFAOYSA-N 2 2 293.415 0.415 10 0 CCAELP CC(C)(C)OC(=O)N1C[C@@H]2C[NH+](CC[NH3+])C[C@H]2C1 ZINC000144219964 350462203 /nfs/dbraw/zinc/46/22/03/350462203.db2.gz UHXAAMHNYFEJBS-QWRGUYRKSA-N 2 2 255.362 0.744 10 0 CCAELP CC[N@H+](CC(=O)NC[C@@H]1C[NH+](C2CC2)CCO1)C1CC1 ZINC000152649080 350536539 /nfs/dbraw/zinc/53/65/39/350536539.db2.gz SHMRFDJBPHHZSJ-CQSZACIVSA-N 2 2 281.400 0.450 10 0 CCAELP CC[N@@H+](CC(=O)NC[C@@H]1C[NH+](C2CC2)CCO1)C1CC1 ZINC000152649080 350536544 /nfs/dbraw/zinc/53/65/44/350536544.db2.gz SHMRFDJBPHHZSJ-CQSZACIVSA-N 2 2 281.400 0.450 10 0 CCAELP CC[NH+](CC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1)C1CC1 ZINC000152649080 350536547 /nfs/dbraw/zinc/53/65/47/350536547.db2.gz SHMRFDJBPHHZSJ-CQSZACIVSA-N 2 2 281.400 0.450 10 0 CCAELP CC[NH+](CC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1)C1CC1 ZINC000152649080 350536550 /nfs/dbraw/zinc/53/65/50/350536550.db2.gz SHMRFDJBPHHZSJ-CQSZACIVSA-N 2 2 281.400 0.450 10 0 CCAELP C[C@H](CNC(=O)[C@@H]1COCC[NH2+]1)[NH+]1CCC(C)CC1 ZINC000166332422 350797608 /nfs/dbraw/zinc/79/76/08/350797608.db2.gz WNTPOXINZRODHW-OLZOCXBDSA-N 2 2 269.389 0.211 10 0 CCAELP CC(C)[NH+]1CCC(NC(=O)NC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000170920413 350874198 /nfs/dbraw/zinc/87/41/98/350874198.db2.gz SBALHGKWAAYTRE-CQSZACIVSA-N 2 2 298.431 0.489 10 0 CCAELP CC(C)[NH+]1CCC(NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000170920413 350874200 /nfs/dbraw/zinc/87/42/00/350874200.db2.gz SBALHGKWAAYTRE-CQSZACIVSA-N 2 2 298.431 0.489 10 0 CCAELP CCOC(=O)C[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000174882798 351108655 /nfs/dbraw/zinc/10/86/55/351108655.db2.gz IKWRVTZFVHRRQG-CQSZACIVSA-N 2 2 283.416 0.651 10 0 CCAELP CCOC(=O)C[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000174882798 351108663 /nfs/dbraw/zinc/10/86/63/351108663.db2.gz IKWRVTZFVHRRQG-CQSZACIVSA-N 2 2 283.416 0.651 10 0 CCAELP COCCC[N@H+](C)CCNC(=O)[C@@H]1CCCn2cc[nH+]c21 ZINC000176442900 351174627 /nfs/dbraw/zinc/17/46/27/351174627.db2.gz YDHHNXMZGZPAJG-CYBMUJFWSA-N 2 2 294.399 0.845 10 0 CCAELP COCCC[N@@H+](C)CCNC(=O)[C@@H]1CCCn2cc[nH+]c21 ZINC000176442900 351174629 /nfs/dbraw/zinc/17/46/29/351174629.db2.gz YDHHNXMZGZPAJG-CYBMUJFWSA-N 2 2 294.399 0.845 10 0 CCAELP CC[C@@H]1CN(Cc2c[nH]c[nH+]2)CC[N@@H+]1CCOC ZINC000179512379 351269846 /nfs/dbraw/zinc/26/98/46/351269846.db2.gz KSRQCYBVXSARMC-CYBMUJFWSA-N 2 2 252.362 0.952 10 0 CCAELP CC[C@@H]1CN(Cc2c[nH]c[nH+]2)CC[N@H+]1CCOC ZINC000179512379 351269848 /nfs/dbraw/zinc/26/98/48/351269848.db2.gz KSRQCYBVXSARMC-CYBMUJFWSA-N 2 2 252.362 0.952 10 0 CCAELP CNC(=O)NC(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515648 351916714 /nfs/dbraw/zinc/91/67/14/351916714.db2.gz RXCCAGSEHIINAB-LLVKDONJSA-N 2 2 291.355 0.271 10 0 CCAELP CNC(=O)NC(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515648 351916719 /nfs/dbraw/zinc/91/67/19/351916719.db2.gz RXCCAGSEHIINAB-LLVKDONJSA-N 2 2 291.355 0.271 10 0 CCAELP C[C@@H]1CC[N@H+](Cc2nc(N)nc(N)n2)C[C@H]1n1cc[nH+]c1 ZINC000245562806 352330148 /nfs/dbraw/zinc/33/01/48/352330148.db2.gz CSJJANCSWUCFJG-NXEZZACHSA-N 2 2 288.359 0.316 10 0 CCAELP C[C@@H]1CC[N@@H+](Cc2nc(N)nc(N)n2)C[C@H]1n1cc[nH+]c1 ZINC000245562806 352330151 /nfs/dbraw/zinc/33/01/51/352330151.db2.gz CSJJANCSWUCFJG-NXEZZACHSA-N 2 2 288.359 0.316 10 0 CCAELP C[C@H](O)C[N@@H+]1CCN([C@@H](C)C[NH+]2CCOCC2)C[C@@H]1C ZINC000246130191 352349397 /nfs/dbraw/zinc/34/93/97/352349397.db2.gz RIPWVFUNTUOUTB-KKUMJFAQSA-N 2 2 285.432 0.094 10 0 CCAELP C[C@H](O)C[N@H+]1CCN([C@@H](C)C[NH+]2CCOCC2)C[C@@H]1C ZINC000246130191 352349399 /nfs/dbraw/zinc/34/93/99/352349399.db2.gz RIPWVFUNTUOUTB-KKUMJFAQSA-N 2 2 285.432 0.094 10 0 CCAELP Cc1nc(N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)cc[nH+]1 ZINC000266442450 352702618 /nfs/dbraw/zinc/70/26/18/352702618.db2.gz WHWXQIBAVNYXOX-QWRGUYRKSA-N 2 2 250.346 0.676 10 0 CCAELP Cc1nc(N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)cc[nH+]1 ZINC000266442450 352702620 /nfs/dbraw/zinc/70/26/20/352702620.db2.gz WHWXQIBAVNYXOX-QWRGUYRKSA-N 2 2 250.346 0.676 10 0 CCAELP Cn1cc(CC[NH+]2CCN(Cc3[nH]cc[nH+]3)CC2)cn1 ZINC000328676347 202005708 /nfs/dbraw/zinc/00/57/08/202005708.db2.gz ROOMUPKQHVJKIW-UHFFFAOYSA-N 2 2 274.372 0.504 10 0 CCAELP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3nnnn3CC2)C[N@@H+]1C1CC1 ZINC000333812564 354798530 /nfs/dbraw/zinc/79/85/30/354798530.db2.gz FWEDBWIJHNHITQ-GRYCIOLGSA-N 2 2 276.388 0.593 10 0 CCAELP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3nnnn3CC2)C[N@H+]1C1CC1 ZINC000333812564 354798532 /nfs/dbraw/zinc/79/85/32/354798532.db2.gz FWEDBWIJHNHITQ-GRYCIOLGSA-N 2 2 276.388 0.593 10 0 CCAELP CN(c1cc(N2CCC[C@@H]2CO)nc[nH+]1)C1CC([NH3+])C1 ZINC000333925478 354816256 /nfs/dbraw/zinc/81/62/56/354816256.db2.gz UPUVGZOZUQVGIY-MOENNCHZSA-N 2 2 277.372 0.364 10 0 CCAELP CN(c1cc(N2CCC[C@@H]2CO)[nH+]cn1)C1CC([NH3+])C1 ZINC000333925478 354816258 /nfs/dbraw/zinc/81/62/58/354816258.db2.gz UPUVGZOZUQVGIY-MOENNCHZSA-N 2 2 277.372 0.364 10 0 CCAELP O=C(Nc1ccc2c(c1F)CC[NH2+]C2)[C@H]1COCC[NH2+]1 ZINC000261736334 295945527 /nfs/dbraw/zinc/94/55/27/295945527.db2.gz NKFKXLGBCSNVOU-GFCCVEGCSA-N 2 2 279.315 0.398 10 0 CCAELP CC[N@@H+]1CCC[C@@H]1CN(C)c1nc(C)[nH+]c(N)n1 ZINC000385001559 357723354 /nfs/dbraw/zinc/72/33/54/357723354.db2.gz UAKPBKXRIBWQFW-SNVBAGLBSA-N 2 2 250.350 0.513 10 0 CCAELP CC[N@H+]1CCC[C@@H]1CN(C)c1nc(C)[nH+]c(N)n1 ZINC000385001559 357723358 /nfs/dbraw/zinc/72/33/58/357723358.db2.gz UAKPBKXRIBWQFW-SNVBAGLBSA-N 2 2 250.350 0.513 10 0 CCAELP CC(C)n1c[nH+]cc1CN(C)CC[N@H+](C)CCO ZINC000623090626 367447261 /nfs/dbraw/zinc/44/72/61/367447261.db2.gz WMUFOXMQJBEHAG-UHFFFAOYSA-N 2 2 254.378 0.820 10 0 CCAELP CC(C)n1c[nH+]cc1CN(C)CC[N@@H+](C)CCO ZINC000623090626 367447268 /nfs/dbraw/zinc/44/72/68/367447268.db2.gz WMUFOXMQJBEHAG-UHFFFAOYSA-N 2 2 254.378 0.820 10 0 CCAELP O=C([C@H]1CCC[N@@H+]1C1CC[NH2+]CC1)N1CCC[C@@H](O)C1 ZINC000038043118 296108903 /nfs/dbraw/zinc/10/89/03/296108903.db2.gz GMYBMVXTRMWCOL-ZIAGYGMSSA-N 2 2 281.400 0.186 10 0 CCAELP O=C([C@H]1CCC[N@H+]1C1CC[NH2+]CC1)N1CCC[C@@H](O)C1 ZINC000038043118 296108905 /nfs/dbraw/zinc/10/89/05/296108905.db2.gz GMYBMVXTRMWCOL-ZIAGYGMSSA-N 2 2 281.400 0.186 10 0 CCAELP C[C@@H]1C[NH+]=C(N2CCN(C(=O)[C@@H]3CCC[NH2+]3)CC2)S1 ZINC000237453049 189876832 /nfs/dbraw/zinc/87/68/32/189876832.db2.gz YPBXZCOXFBLOGT-MNOVXSKESA-N 2 2 282.413 0.374 10 0 CCAELP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634765309 372212530 /nfs/dbraw/zinc/21/25/30/372212530.db2.gz PBMOVWNVGMUGLI-IPYPFGDCSA-N 2 2 281.400 0.213 10 0 CCAELP Cc1cc2ccccc2[nH+]c1NC[C@H]1C[NH2+]C[C@@H]1O ZINC000643040267 377703014 /nfs/dbraw/zinc/70/30/14/377703014.db2.gz OVISTTUKEWSQIB-OCCSQVGLSA-N 2 2 257.337 0.957 10 0 CCAELP CCCc1csc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)n1 ZINC000263139064 535451112 /nfs/dbraw/zinc/45/11/12/535451112.db2.gz CGECHIFCWOBBGV-GXSJLCMTSA-N 2 2 255.387 0.766 10 0 CCAELP CCN(CCC[NH+](C)C)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000189366612 388956964 /nfs/dbraw/zinc/95/69/64/388956964.db2.gz FDFHKSHDBWANRM-ZDUSSCGKSA-N 2 2 286.420 0.300 10 0 CCAELP CCN(CCC[NH+](C)C)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000189366612 388956967 /nfs/dbraw/zinc/95/69/67/388956967.db2.gz FDFHKSHDBWANRM-ZDUSSCGKSA-N 2 2 286.420 0.300 10 0 CCAELP CC[N@@H+]1CCC[C@@H](NC(=O)NCCn2cc[nH+]c2)C1 ZINC000194132320 389088746 /nfs/dbraw/zinc/08/87/46/389088746.db2.gz YJZLAVNCIVESHX-GFCCVEGCSA-N 2 2 265.361 0.667 10 0 CCAELP CC[N@H+]1CCC[C@@H](NC(=O)NCCn2cc[nH+]c2)C1 ZINC000194132320 389088751 /nfs/dbraw/zinc/08/87/51/389088751.db2.gz YJZLAVNCIVESHX-GFCCVEGCSA-N 2 2 265.361 0.667 10 0 CCAELP CC[N@@H+]1CCC[C@H](NC(=O)NCC[NH+]2CCOCC2)C1 ZINC000194136947 389089095 /nfs/dbraw/zinc/08/90/95/389089095.db2.gz MVIYHUBDUWMFGG-ZDUSSCGKSA-N 2 2 284.404 0.102 10 0 CCAELP CC[N@H+]1CCC[C@H](NC(=O)NCC[NH+]2CCOCC2)C1 ZINC000194136947 389089097 /nfs/dbraw/zinc/08/90/97/389089097.db2.gz MVIYHUBDUWMFGG-ZDUSSCGKSA-N 2 2 284.404 0.102 10 0 CCAELP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000222904086 389142540 /nfs/dbraw/zinc/14/25/40/389142540.db2.gz TWQVPBSWQIWIIO-UONOGXRCSA-N 2 2 255.406 0.766 10 0 CCAELP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000222904086 389142544 /nfs/dbraw/zinc/14/25/44/389142544.db2.gz TWQVPBSWQIWIIO-UONOGXRCSA-N 2 2 255.406 0.766 10 0 CCAELP COc1c(C[NH2+]C[C@@](C)(O)C[NH+](C)C)c(C)nn1C ZINC000228724525 389154546 /nfs/dbraw/zinc/15/45/46/389154546.db2.gz JZIXYOYAAFVUEO-CYBMUJFWSA-N 2 2 270.377 0.139 10 0 CCAELP c1cn(CC[N@@H+]2CC[C@@H](N3CCOCC3)C2)c[nH+]1 ZINC000162040435 389413313 /nfs/dbraw/zinc/41/33/13/389413313.db2.gz VOZLDAGJQSJHRA-CYBMUJFWSA-N 2 2 250.346 0.290 10 0 CCAELP c1cn(CC[N@H+]2CC[C@@H](N3CCOCC3)C2)c[nH+]1 ZINC000162040435 389413316 /nfs/dbraw/zinc/41/33/16/389413316.db2.gz VOZLDAGJQSJHRA-CYBMUJFWSA-N 2 2 250.346 0.290 10 0 CCAELP C(C[NH+]1CCCCC1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173948918 389511673 /nfs/dbraw/zinc/51/16/73/389511673.db2.gz OFKXQNIVTGLUPK-OAHLLOKOSA-N 2 2 267.417 0.879 10 0 CCAELP CNc1cc(N2CCC[C@@H]2CNC(=O)C[NH+](C)C)nc[nH+]1 ZINC000174742980 389529879 /nfs/dbraw/zinc/52/98/79/389529879.db2.gz SKMKRKORGYYKMX-LLVKDONJSA-N 2 2 292.387 0.165 10 0 CCAELP CNc1cc(N2CCC[C@@H]2CNC(=O)C[NH+](C)C)[nH+]cn1 ZINC000174742980 389529884 /nfs/dbraw/zinc/52/98/84/389529884.db2.gz SKMKRKORGYYKMX-LLVKDONJSA-N 2 2 292.387 0.165 10 0 CCAELP CC[C@@H]1CN(Cc2c[nH+]cn2C)CC[N@@H+]1CCOC ZINC000177054841 389570061 /nfs/dbraw/zinc/57/00/61/389570061.db2.gz IOLZRDGYHIIZKJ-CYBMUJFWSA-N 2 2 266.389 0.963 10 0 CCAELP CC[C@@H]1CN(Cc2c[nH+]cn2C)CC[N@H+]1CCOC ZINC000177054841 389570063 /nfs/dbraw/zinc/57/00/63/389570063.db2.gz IOLZRDGYHIIZKJ-CYBMUJFWSA-N 2 2 266.389 0.963 10 0 CCAELP C[N@@H+]1CCCN(C(=O)[C@H]2CC[NH2+]CC2(F)F)CC1 ZINC000335110987 389537911 /nfs/dbraw/zinc/53/79/11/389537911.db2.gz MEUAHTJACDPNMV-SNVBAGLBSA-N 2 2 261.316 0.395 10 0 CCAELP C[N@H+]1CCCN(C(=O)[C@H]2CC[NH2+]CC2(F)F)CC1 ZINC000335110987 389537914 /nfs/dbraw/zinc/53/79/14/389537914.db2.gz MEUAHTJACDPNMV-SNVBAGLBSA-N 2 2 261.316 0.395 10 0 CCAELP C[C@H](CNC(=O)[C@H]1CC(F)(F)C[NH2+]1)[NH+]1CCCC1 ZINC000646408272 390678351 /nfs/dbraw/zinc/67/83/51/390678351.db2.gz HSAFXUULWYGNCK-NXEZZACHSA-N 2 2 261.316 0.584 10 0 CCAELP COc1ccc[nH+]c1NCCCN1CC[NH2+]CC1 ZINC000128295646 411715816 /nfs/dbraw/zinc/71/58/16/411715816.db2.gz JDPAQMFNKTYHGJ-UHFFFAOYSA-N 2 2 250.346 0.797 10 0 CCAELP CC[N@H+](CC(=O)N[C@H](C)COC)C1CC[NH2+]CC1 ZINC000037538601 173259161 /nfs/dbraw/zinc/25/91/61/173259161.db2.gz ZTDYEKXJVCTVIW-LLVKDONJSA-N 2 2 257.378 0.211 10 0 CCAELP CC[N@@H+](CC(=O)N[C@H](C)COC)C1CC[NH2+]CC1 ZINC000037538601 173259164 /nfs/dbraw/zinc/25/91/64/173259164.db2.gz ZTDYEKXJVCTVIW-LLVKDONJSA-N 2 2 257.378 0.211 10 0 CCAELP CC(C)Cc1cc(C[NH2+]C[C@]2(O)CC[NH2+]C2)on1 ZINC000072410130 176398520 /nfs/dbraw/zinc/39/85/20/176398520.db2.gz KBYNQFOCCXISET-ZDUSSCGKSA-N 2 2 253.346 0.687 10 0 CCAELP CCOCC[N@@H+]1CCN(C(=O)[C@H](CC)[NH+](C)C)C[C@@H]1C ZINC000247171052 544911372 /nfs/dbraw/zinc/91/13/72/544911372.db2.gz YMVVQJXRULITOZ-KBPBESRZSA-N 2 2 285.432 0.896 10 0 CCAELP CCOCC[N@H+]1CCN(C(=O)[C@H](CC)[NH+](C)C)C[C@@H]1C ZINC000247171052 544911380 /nfs/dbraw/zinc/91/13/80/544911380.db2.gz YMVVQJXRULITOZ-KBPBESRZSA-N 2 2 285.432 0.896 10 0 CCAELP CCOCC[N@@H+]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@H]1C ZINC000247171062 544911474 /nfs/dbraw/zinc/91/14/74/544911474.db2.gz YMVVQJXRULITOZ-UONOGXRCSA-N 2 2 285.432 0.896 10 0 CCAELP CCOCC[N@H+]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@H]1C ZINC000247171062 544911477 /nfs/dbraw/zinc/91/14/77/544911477.db2.gz YMVVQJXRULITOZ-UONOGXRCSA-N 2 2 285.432 0.896 10 0 CCAELP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000262151607 544941743 /nfs/dbraw/zinc/94/17/43/544941743.db2.gz RGFUBOSPZOOKGD-UKRRQHHQSA-N 3 2 272.352 0.542 10 0 CCAELP CC1CC[NH+](CC[NH2+][C@H]2CCC(=O)N[C@@H]2C)CC1 ZINC000440948465 278545499 /nfs/dbraw/zinc/54/54/99/278545499.db2.gz BFIXOBCSCJUSRM-OLZOCXBDSA-N 2 2 253.390 0.975 10 0 CCAELP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000245925437 279266891 /nfs/dbraw/zinc/26/68/91/279266891.db2.gz VVAQREJFUAPRDR-UONOGXRCSA-N 2 2 283.416 0.698 10 0 CCAELP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000245925437 279266892 /nfs/dbraw/zinc/26/68/92/279266892.db2.gz VVAQREJFUAPRDR-UONOGXRCSA-N 2 2 283.416 0.698 10 0 CCAELP Cn1cc(N2CC[C@@H]([N@@H+]3CC[C@@H]([NH3+])C(C)(C)C3)C2=O)cn1 ZINC000261645614 279340573 /nfs/dbraw/zinc/34/05/73/279340573.db2.gz GTBGLWPQGSEJRI-CHWSQXEVSA-N 2 2 291.399 0.585 10 0 CCAELP Cn1cc(N2CC[C@@H]([N@H+]3CC[C@@H]([NH3+])C(C)(C)C3)C2=O)cn1 ZINC000261645614 279340575 /nfs/dbraw/zinc/34/05/75/279340575.db2.gz GTBGLWPQGSEJRI-CHWSQXEVSA-N 2 2 291.399 0.585 10 0 CCAELP CCCN(CC[C@H]([NH2+]C)C(=O)OCC)CC[NH+](C)C ZINC000062527887 521670439 /nfs/dbraw/zinc/67/04/39/521670439.db2.gz LRLPGXHJVZQKPJ-ZDUSSCGKSA-N 2 2 273.421 0.801 10 0 CCAELP CC[NH+](CC)Cc1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263171421 535614366 /nfs/dbraw/zinc/61/43/66/535614366.db2.gz FVBAPJNWCIKMIJ-SNVBAGLBSA-N 2 2 253.350 0.488 10 0 CCAELP CC[NH2+][C@H](CCN1CC[NH+](C2CC2)CC1)C(=O)OC ZINC000062527161 520189271 /nfs/dbraw/zinc/18/92/71/520189271.db2.gz GKLQUHIKIHHRLL-CYBMUJFWSA-N 2 2 269.389 0.308 10 0 CCAELP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)[C@H]2COCC[NH2+]2)C1 ZINC000263254448 525208647 /nfs/dbraw/zinc/20/86/47/525208647.db2.gz KJBDUVVUYHNZOE-MGPQQGTHSA-N 2 2 297.443 0.848 10 0 CCAELP CC(C)S(=O)(=O)CC[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261560536 535094708 /nfs/dbraw/zinc/09/47/08/535094708.db2.gz UTPFJDPWBWUAJR-QJPTWQEYSA-N 2 2 260.403 0.479 10 0 CCAELP CC(C)S(=O)(=O)CC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261560536 535094711 /nfs/dbraw/zinc/09/47/11/535094711.db2.gz UTPFJDPWBWUAJR-QJPTWQEYSA-N 2 2 260.403 0.479 10 0 CCAELP Cn1cc(CC2=C[C@H]([NH3+])C[NH2+]C2)c(Br)n1 ZINC000675077764 545321350 /nfs/dbraw/zinc/32/13/50/545321350.db2.gz ICHGPWMLAJSIFO-VIFPVBQESA-N 2 2 271.162 0.582 10 0 CCAELP C[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+](C)C1)[NH+]1CCOCC1 ZINC000108552148 349749494 /nfs/dbraw/zinc/74/94/94/349749494.db2.gz HCHIFPMCPVHYDK-KBPBESRZSA-N 2 2 298.431 0.348 10 0 CCAELP C[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+](C)C1)[NH+]1CCOCC1 ZINC000108552148 349749497 /nfs/dbraw/zinc/74/94/97/349749497.db2.gz HCHIFPMCPVHYDK-KBPBESRZSA-N 2 2 298.431 0.348 10 0 CCAELP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1nccn1-c1ccccc1 ZINC000263137337 137059157 /nfs/dbraw/zinc/05/91/57/137059157.db2.gz CCSSCTGBQCESNL-OCCSQVGLSA-N 2 2 272.352 0.542 10 0 CCAELP C[NH+](C)[C@H](CNC(=O)C1C[NH2+]C1)c1c(F)cccc1F ZINC000262268140 137034077 /nfs/dbraw/zinc/03/40/77/137034077.db2.gz SJTXMESZZUFAAZ-GFCCVEGCSA-N 2 2 283.322 0.903 10 0 CCAELP C[C@H]1C[C@@H](C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)CC[NH2+]1 ZINC000262334909 137038770 /nfs/dbraw/zinc/03/87/70/137038770.db2.gz FMVGMNYUJZAFGN-OBJOEFQTSA-N 2 2 281.400 0.354 10 0 CCAELP C[C@H]1C[C@@H](C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)CC[NH2+]1 ZINC000262334909 137038771 /nfs/dbraw/zinc/03/87/71/137038771.db2.gz FMVGMNYUJZAFGN-OBJOEFQTSA-N 2 2 281.400 0.354 10 0 CCAELP Cc1cn2c([nH+]1)[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)CCC2 ZINC000332683888 137080246 /nfs/dbraw/zinc/08/02/46/137080246.db2.gz KUVJGEUZQJOVIG-CHWSQXEVSA-N 2 2 292.383 0.516 10 0 CCAELP Cc1cn2c([nH+]1)[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)CCC2 ZINC000332683888 137080247 /nfs/dbraw/zinc/08/02/47/137080247.db2.gz KUVJGEUZQJOVIG-CHWSQXEVSA-N 2 2 292.383 0.516 10 0 CCAELP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cc(C(F)(F)F)n[nH]1 ZINC000263241483 137061200 /nfs/dbraw/zinc/06/12/00/137061200.db2.gz ORTTUJIHRBTVDH-POYBYMJQSA-N 2 2 264.251 0.098 10 0 CCAELP C[C@H](C[NH+]1CCOCC1)NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054291607 348548096 /nfs/dbraw/zinc/54/80/96/348548096.db2.gz PMKJBQZQRWPZAN-OLZOCXBDSA-N 2 2 269.389 0.213 10 0 CCAELP Cn1c2ccccc2[nH+]c1NCC(=O)N1CC[NH2+]CC1 ZINC000079047768 349165726 /nfs/dbraw/zinc/16/57/26/349165726.db2.gz ILIKJEUHNBCKQA-UHFFFAOYSA-N 2 2 273.340 0.417 10 0 CCAELP O=C(N[C@H]1C[C@H]2C[NH2+][C@@H]1C2)c1ccc2[nH+]ccn2c1 ZINC000168333918 350824274 /nfs/dbraw/zinc/82/42/74/350824274.db2.gz XMDIMVXGPMCIRQ-WCQGTBRESA-N 2 2 256.309 0.815 10 0 CCAELP C[NH+](C)[C@@H](C(=O)NC[C@H]1C[N@H+](C)CCO1)c1ccccc1 ZINC000171285960 350898675 /nfs/dbraw/zinc/89/86/75/350898675.db2.gz TVBZACOVMHURMS-LSDHHAIUSA-N 2 2 291.395 0.736 10 0 CCAELP C[NH+](C)[C@@H](C(=O)NC[C@H]1C[N@@H+](C)CCO1)c1ccccc1 ZINC000171285960 350898680 /nfs/dbraw/zinc/89/86/80/350898680.db2.gz TVBZACOVMHURMS-LSDHHAIUSA-N 2 2 291.395 0.736 10 0 CCAELP CCOCC[N@@H+]1CCN(C(=O)C[NH+](C)C)C[C@H]1C ZINC000172295611 350973301 /nfs/dbraw/zinc/97/33/01/350973301.db2.gz ZXCGTTZIULKSDT-GFCCVEGCSA-N 2 2 257.378 0.117 10 0 CCAELP CCOCC[N@H+]1CCN(C(=O)C[NH+](C)C)C[C@H]1C ZINC000172295611 350973304 /nfs/dbraw/zinc/97/33/04/350973304.db2.gz ZXCGTTZIULKSDT-GFCCVEGCSA-N 2 2 257.378 0.117 10 0 CCAELP CC(C)OCC[NH+]1CCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000188778137 351627171 /nfs/dbraw/zinc/62/71/71/351627171.db2.gz VMQJRFBVMLDTOX-QWHCGFSZSA-N 2 2 287.379 0.256 10 0 CCAELP C[N@H+]1C[C@@H]2C[NH+](CC(=O)NCc3ccccc3)C[C@@H]2C1 ZINC000193644041 351838243 /nfs/dbraw/zinc/83/82/43/351838243.db2.gz LVDMPJOSSLOUJP-GASCZTMLSA-N 2 2 273.380 0.796 10 0 CCAELP C[N@@H+]1C[C@@H]2C[NH+](CC(=O)NCc3ccccc3)C[C@@H]2C1 ZINC000193644041 351838245 /nfs/dbraw/zinc/83/82/45/351838245.db2.gz LVDMPJOSSLOUJP-GASCZTMLSA-N 2 2 273.380 0.796 10 0 CCAELP C[NH+]1C[C@@H]2C[N@@H+](CC(=O)NCc3ccccc3)C[C@@H]2C1 ZINC000193644041 351838247 /nfs/dbraw/zinc/83/82/47/351838247.db2.gz LVDMPJOSSLOUJP-GASCZTMLSA-N 2 2 273.380 0.796 10 0 CCAELP C[NH+]1C[C@@H]2C[N@H+](CC(=O)NCc3ccccc3)C[C@@H]2C1 ZINC000193644041 351838249 /nfs/dbraw/zinc/83/82/49/351838249.db2.gz LVDMPJOSSLOUJP-GASCZTMLSA-N 2 2 273.380 0.796 10 0 CCAELP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCCn2cc[nH+]c2)C1 ZINC000246162205 352350789 /nfs/dbraw/zinc/35/07/89/352350789.db2.gz DKMSCYCXLVXKKD-CHWSQXEVSA-N 2 2 279.388 0.911 10 0 CCAELP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NCCn2cc[nH+]c2)C1 ZINC000246162205 352350792 /nfs/dbraw/zinc/35/07/92/352350792.db2.gz DKMSCYCXLVXKKD-CHWSQXEVSA-N 2 2 279.388 0.911 10 0 CCAELP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[NH+](C2CC2)CCO1 ZINC000246764013 352382303 /nfs/dbraw/zinc/38/23/03/352382303.db2.gz NCXZDIIAXGVVLF-LSDHHAIUSA-N 2 2 295.427 0.840 10 0 CCAELP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[NH+](C2CC2)CCO1 ZINC000246764013 352382306 /nfs/dbraw/zinc/38/23/06/352382306.db2.gz NCXZDIIAXGVVLF-LSDHHAIUSA-N 2 2 295.427 0.840 10 0 CCAELP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000246764013 352382307 /nfs/dbraw/zinc/38/23/07/352382307.db2.gz NCXZDIIAXGVVLF-LSDHHAIUSA-N 2 2 295.427 0.840 10 0 CCAELP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000246764013 352382311 /nfs/dbraw/zinc/38/23/11/352382311.db2.gz NCXZDIIAXGVVLF-LSDHHAIUSA-N 2 2 295.427 0.840 10 0 CCAELP C[C@H](CO)[N@@H+](Cc1ccc(-n2cc[nH+]c2)nc1)C[C@H](C)O ZINC000248950857 352468844 /nfs/dbraw/zinc/46/88/44/352468844.db2.gz PPLGOKFEAQWZEE-OLZOCXBDSA-N 2 2 290.367 0.831 10 0 CCAELP C[C@H](CO)[N@H+](Cc1ccc(-n2cc[nH+]c2)nc1)C[C@H](C)O ZINC000248950857 352468846 /nfs/dbraw/zinc/46/88/46/352468846.db2.gz PPLGOKFEAQWZEE-OLZOCXBDSA-N 2 2 290.367 0.831 10 0 CCAELP OCC[NH+]1CCC([NH2+]Cc2cccc(O)c2)CC1 ZINC000399169988 357781905 /nfs/dbraw/zinc/78/19/05/357781905.db2.gz GBIWLECGHYQFBR-UHFFFAOYSA-N 2 2 250.342 0.939 10 0 CCAELP C[C@@H](CNc1cc[nH+]cc1C(N)=O)[N@@H+]1CCOC[C@H]1C ZINC000302032756 201311418 /nfs/dbraw/zinc/31/14/18/201311418.db2.gz NWUQOMPXJSQXQH-WDEREUQCSA-N 2 2 278.356 0.702 10 0 CCAELP C[C@@H](CNc1cc[nH+]cc1C(N)=O)[N@H+]1CCOC[C@H]1C ZINC000302032756 201311421 /nfs/dbraw/zinc/31/14/21/201311421.db2.gz NWUQOMPXJSQXQH-WDEREUQCSA-N 2 2 278.356 0.702 10 0 CCAELP [NH3+]CC[N@@H+]1CCCO[C@H](c2ccc(CO)cc2)C1 ZINC000616677988 365421937 /nfs/dbraw/zinc/42/19/37/365421937.db2.gz AVZHKAZVNMYINA-AWEZNQCLSA-N 2 2 250.342 0.901 10 0 CCAELP [NH3+]CC[N@H+]1CCCO[C@H](c2ccc(CO)cc2)C1 ZINC000616677988 365421940 /nfs/dbraw/zinc/42/19/40/365421940.db2.gz AVZHKAZVNMYINA-AWEZNQCLSA-N 2 2 250.342 0.901 10 0 CCAELP CC(C)(C)OC(=O)NCC[N@@H+]1CCOC[C@@H](C[NH3+])C1 ZINC000616598908 365379253 /nfs/dbraw/zinc/37/92/53/365379253.db2.gz VEPXQLFLJRGQFO-NSHDSACASA-N 2 2 273.377 0.418 10 0 CCAELP CC(C)(C)OC(=O)NCC[N@H+]1CCOC[C@@H](C[NH3+])C1 ZINC000616598908 365379258 /nfs/dbraw/zinc/37/92/58/365379258.db2.gz VEPXQLFLJRGQFO-NSHDSACASA-N 2 2 273.377 0.418 10 0 CCAELP CO[C@@H]1C[N@H+](CCCN2CCOCC2)[C@](C)(C[NH3+])C1 ZINC000630362917 370064503 /nfs/dbraw/zinc/06/45/03/370064503.db2.gz BXWYLEBKSJRCAP-KBPBESRZSA-N 2 2 271.405 0.147 10 0 CCAELP CO[C@@H]1C[N@@H+](CCCN2CCOCC2)[C@](C)(C[NH3+])C1 ZINC000630362917 370064508 /nfs/dbraw/zinc/06/45/08/370064508.db2.gz BXWYLEBKSJRCAP-KBPBESRZSA-N 2 2 271.405 0.147 10 0 CCAELP CO[C@H]1C[N@H+](CCCN2CCOCC2)[C@@](C)(C[NH3+])C1 ZINC000630362937 370064587 /nfs/dbraw/zinc/06/45/87/370064587.db2.gz BXWYLEBKSJRCAP-ZIAGYGMSSA-N 2 2 271.405 0.147 10 0 CCAELP CO[C@H]1C[N@@H+](CCCN2CCOCC2)[C@@](C)(C[NH3+])C1 ZINC000630362937 370064588 /nfs/dbraw/zinc/06/45/88/370064588.db2.gz BXWYLEBKSJRCAP-ZIAGYGMSSA-N 2 2 271.405 0.147 10 0 CCAELP O=C(NCc1ccccc1-n1cc[nH+]c1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000567911495 291535717 /nfs/dbraw/zinc/53/57/17/291535717.db2.gz YAEGXVXPJFMZJK-CHWSQXEVSA-N 2 2 286.335 0.211 10 0 CCAELP CC1(C)COCC[N@@H+]1CCNC(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333458739 205336685 /nfs/dbraw/zinc/33/66/85/205336685.db2.gz YRVHLYLURGZVAV-CYBMUJFWSA-N 2 2 298.431 0.539 10 0 CCAELP CC1(C)COCC[N@H+]1CCNC(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333458739 205336687 /nfs/dbraw/zinc/33/66/87/205336687.db2.gz YRVHLYLURGZVAV-CYBMUJFWSA-N 2 2 298.431 0.539 10 0 CCAELP C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000392921914 285206542 /nfs/dbraw/zinc/20/65/42/285206542.db2.gz JVWDZHHWRGTUNG-KOLCDFICSA-N 2 2 265.361 0.243 10 0 CCAELP C[C@H]1C[C@H]([NH2+][C@H]2CCC(=O)N[C@H]2C)C[N@@H+]1C1CC1 ZINC000392929622 285206600 /nfs/dbraw/zinc/20/66/00/285206600.db2.gz JNEYXWPJVWQZKW-ZPFDUUQYSA-N 2 2 251.374 0.868 10 0 CCAELP C[C@H]1C[C@H]([NH2+][C@H]2CCC(=O)N[C@H]2C)C[N@H+]1C1CC1 ZINC000392929622 285206605 /nfs/dbraw/zinc/20/66/05/285206605.db2.gz JNEYXWPJVWQZKW-ZPFDUUQYSA-N 2 2 251.374 0.868 10 0 CCAELP O=C(C[C@H]1CSCC[NH2+]1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000091291305 389022513 /nfs/dbraw/zinc/02/25/13/389022513.db2.gz RFZRPNZNXJIIAD-STQMWFEESA-N 2 2 299.440 0.015 10 0 CCAELP Cn1ncc2c1nc[nH+]c2NC[C@@H]1C[N@H+](C)CCO1 ZINC000112012748 389116768 /nfs/dbraw/zinc/11/67/68/389116768.db2.gz DQZQNVHAGRTEOK-SECBINFHSA-N 2 2 262.317 0.106 10 0 CCAELP Cn1ncc2c1nc[nH+]c2NC[C@@H]1C[N@@H+](C)CCO1 ZINC000112012748 389116772 /nfs/dbraw/zinc/11/67/72/389116772.db2.gz DQZQNVHAGRTEOK-SECBINFHSA-N 2 2 262.317 0.106 10 0 CCAELP C[N@@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3CCCC[NH2+]C3)C[C@H]21 ZINC000333776965 389443317 /nfs/dbraw/zinc/44/33/17/389443317.db2.gz DBKROKSWXXLHSD-MGPQQGTHSA-N 2 2 296.415 0.243 10 0 CCAELP C[N@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3CCCC[NH2+]C3)C[C@H]21 ZINC000333776965 389443322 /nfs/dbraw/zinc/44/33/22/389443322.db2.gz DBKROKSWXXLHSD-MGPQQGTHSA-N 2 2 296.415 0.243 10 0 CCAELP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)COCc2ccco2)C1 ZINC000389416162 389771671 /nfs/dbraw/zinc/77/16/71/389771671.db2.gz UFUICXWIHNITTL-STQMWFEESA-N 2 2 268.357 0.841 10 0 CCAELP CC[N@H+]1CC[C@H]([NH2+]C[C@H](O)COCc2ccco2)C1 ZINC000389416162 389771675 /nfs/dbraw/zinc/77/16/75/389771675.db2.gz UFUICXWIHNITTL-STQMWFEESA-N 2 2 268.357 0.841 10 0 CCAELP O=C(NCCC[NH+]1CCCC1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000369474699 144270404 /nfs/dbraw/zinc/27/04/04/144270404.db2.gz ZUNSWTNOWICVDP-SNVBAGLBSA-N 2 2 261.316 0.586 10 0 CCAELP COc1ccc(C[NH3+])cc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000020189678 171056066 /nfs/dbraw/zinc/05/60/66/171056066.db2.gz HOQDMKCJIKREEJ-UHFFFAOYSA-N 2 2 299.396 0.090 10 0 CCAELP C[C@@H](O)C[NH2+]CC[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000020876136 171277744 /nfs/dbraw/zinc/27/77/44/171277744.db2.gz WKRCDGCNUFSRIQ-LLVKDONJSA-N 2 2 266.341 0.518 10 0 CCAELP O=C(NCCCn1cc[nH+]c1)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653105413 412220548 /nfs/dbraw/zinc/22/05/48/412220548.db2.gz UTMDUHJQTDRKJT-NXEZZACHSA-N 2 2 290.289 0.787 10 0 CCAELP C[NH+](C)c1ccc(NCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000035164871 172026673 /nfs/dbraw/zinc/02/66/73/172026673.db2.gz HGHWKFFWTZTGTB-UHFFFAOYSA-N 2 2 276.384 0.939 10 0 CCAELP c1nc(-c2noc([C@H]3CCC[N@@H+]3C3CC[NH2+]CC3)n2)n[nH]1 ZINC000038042509 174046404 /nfs/dbraw/zinc/04/64/04/174046404.db2.gz XHXTXAQPNWTWCX-SNVBAGLBSA-N 2 2 289.343 0.744 10 0 CCAELP c1nc(-c2noc([C@H]3CCC[N@H+]3C3CC[NH2+]CC3)n2)n[nH]1 ZINC000038042509 174046406 /nfs/dbraw/zinc/04/64/06/174046406.db2.gz XHXTXAQPNWTWCX-SNVBAGLBSA-N 2 2 289.343 0.744 10 0 CCAELP C[NH2+]CC[N@H+](C)CCc1ccc2oc(=O)n(C)c2c1 ZINC000076362650 177002892 /nfs/dbraw/zinc/00/28/92/177002892.db2.gz NGMLEDKNIAGVEC-UHFFFAOYSA-N 2 2 263.341 0.825 10 0 CCAELP C[NH2+]CC[N@@H+](C)CCc1ccc2oc(=O)n(C)c2c1 ZINC000076362650 177002893 /nfs/dbraw/zinc/00/28/93/177002893.db2.gz NGMLEDKNIAGVEC-UHFFFAOYSA-N 2 2 263.341 0.825 10 0 CCAELP Cc1cc(NC(=O)C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)no1 ZINC000631843269 419491466 /nfs/dbraw/zinc/49/14/66/419491466.db2.gz LNZROYPNHWZZLH-SCZZXKLOSA-N 2 2 252.318 0.448 10 0 CCAELP Cc1cc(NC(=O)C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)no1 ZINC000631843269 419491475 /nfs/dbraw/zinc/49/14/75/419491475.db2.gz LNZROYPNHWZZLH-SCZZXKLOSA-N 2 2 252.318 0.448 10 0 CCAELP CC[C@@H]1CN(C(=O)c2ccc(C[NH3+])o2)CC[N@@H+]1C[C@@H](C)O ZINC000168005138 544729110 /nfs/dbraw/zinc/72/91/10/544729110.db2.gz QKIWAHCOCQBBPE-VXGBXAGGSA-N 2 2 295.383 0.656 10 0 CCAELP CC[C@@H]1CN(C(=O)c2ccc(C[NH3+])o2)CC[N@H+]1C[C@@H](C)O ZINC000168005138 544729114 /nfs/dbraw/zinc/72/91/14/544729114.db2.gz QKIWAHCOCQBBPE-VXGBXAGGSA-N 2 2 295.383 0.656 10 0 CCAELP Cn1cc([C@@H]2CCC[N@H+]2C[C@H]2C[NH2+]CCO2)cn1 ZINC000311129854 545012355 /nfs/dbraw/zinc/01/23/55/545012355.db2.gz WHNCHXXKGOKQQQ-OLZOCXBDSA-N 2 2 250.346 0.545 10 0 CCAELP O=C([C@H]1CCn2cc[nH+]c2C1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178800519 275009029 /nfs/dbraw/zinc/00/90/29/275009029.db2.gz MALKMEBLEVJFDA-QWHCGFSZSA-N 2 2 274.368 0.752 10 0 CCAELP O=C([C@H]1CCn2cc[nH+]c2C1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000178800519 275009030 /nfs/dbraw/zinc/00/90/30/275009030.db2.gz MALKMEBLEVJFDA-QWHCGFSZSA-N 2 2 274.368 0.752 10 0 CCAELP CC1(C)CCC[NH2+][C@H]1C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000232925072 275816384 /nfs/dbraw/zinc/81/63/84/275816384.db2.gz JQHXOABGMHNMFP-KGLIPLIRSA-N 2 2 295.427 0.698 10 0 CCAELP C[C@@H]1CN(C(=O)N2CCn3cc[nH+]c3C2)C[C@@]1(C)C[NH3+] ZINC000334939330 287897723 /nfs/dbraw/zinc/89/77/23/287897723.db2.gz FYJIHBSAYMUXSI-BXUZGUMPSA-N 2 2 277.372 0.735 10 0 CCAELP CC[N@H+](CC(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1)C1CC1 ZINC000153117048 279052632 /nfs/dbraw/zinc/05/26/32/279052632.db2.gz IWOIEELBWLEPBK-UKRRQHHQSA-N 2 2 295.427 0.650 10 0 CCAELP CC[N@@H+](CC(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1)C1CC1 ZINC000153117048 279052633 /nfs/dbraw/zinc/05/26/33/279052633.db2.gz IWOIEELBWLEPBK-UKRRQHHQSA-N 2 2 295.427 0.650 10 0 CCAELP CC[C@H](O)C[NH+]1CCN([C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000180479833 288111792 /nfs/dbraw/zinc/11/17/92/288111792.db2.gz PBVQZZLLNNMCPW-GJZGRUSLSA-N 2 2 285.432 0.096 10 0 CCAELP CC(C)N(C)C(=O)[C@@H](C)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193616382 279338826 /nfs/dbraw/zinc/33/88/26/279338826.db2.gz PCBISVOWTDWRCZ-UPJWGTAASA-N 2 2 253.390 0.735 10 0 CCAELP CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193616382 279338830 /nfs/dbraw/zinc/33/88/30/279338830.db2.gz PCBISVOWTDWRCZ-UPJWGTAASA-N 2 2 253.390 0.735 10 0 CCAELP CC(C)N(C)C(=O)[C@@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193616382 279338833 /nfs/dbraw/zinc/33/88/33/279338833.db2.gz PCBISVOWTDWRCZ-UPJWGTAASA-N 2 2 253.390 0.735 10 0 CCAELP CC(C)N(C)C(=O)[C@@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193616382 279338834 /nfs/dbraw/zinc/33/88/34/279338834.db2.gz PCBISVOWTDWRCZ-UPJWGTAASA-N 2 2 253.390 0.735 10 0 CCAELP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCc2nnnn2CC1 ZINC000333629275 288125472 /nfs/dbraw/zinc/12/54/72/288125472.db2.gz ARSULURSRGJGPX-MDZLAQPJSA-N 2 2 276.388 0.450 10 0 CCAELP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCc2nnnn2CC1 ZINC000333629275 288125475 /nfs/dbraw/zinc/12/54/75/288125475.db2.gz ARSULURSRGJGPX-MDZLAQPJSA-N 2 2 276.388 0.450 10 0 CCAELP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000263250206 280164901 /nfs/dbraw/zinc/16/49/01/280164901.db2.gz PUQAPLVNJNIHCV-LZWOXQAQSA-N 2 2 295.427 0.827 10 0 CCAELP CCCC[C@H](C[NH3+])[NH+]1CCN(CC[NH+](C)C)CC1 ZINC000061643144 521189081 /nfs/dbraw/zinc/18/90/81/521189081.db2.gz QNQWMTQVJNTZAM-CQSZACIVSA-N 3 2 256.438 0.683 10 0 CCAELP CCC[NH+]1CCN(CC[C@H]([NH2+]C)C(=O)OCC)CC1 ZINC000062439545 519858660 /nfs/dbraw/zinc/85/86/60/519858660.db2.gz XMLHYNULZLZMJX-ZDUSSCGKSA-N 2 2 271.405 0.555 10 0 CCAELP CC[NH2+][C@@](C)(CN1CCC[C@@H]1C[NH+](C)C)C(=O)OC ZINC000061652979 520135208 /nfs/dbraw/zinc/13/52/08/520135208.db2.gz ZTXIBQZQLRUODU-OCCSQVGLSA-N 2 2 271.405 0.554 10 0 CCAELP COCC[C@H]([NH3+])C(=O)Nc1ccc[nH+]c1N(C)C ZINC000052792306 521949033 /nfs/dbraw/zinc/94/90/33/521949033.db2.gz YNQGLNHLXNKXPM-VIFPVBQESA-N 2 2 252.318 0.450 10 0 CCAELP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CC(=O)N(C2CC2)C1=O ZINC000049554927 524167903 /nfs/dbraw/zinc/16/79/03/524167903.db2.gz BUXIMGVRQAALFA-MWLCHTKSSA-N 2 2 253.346 0.206 10 0 CCAELP CC[C@@H]1CN(CC[NH+]2CCOCC2)[C@@H](CC)C[NH2+]1 ZINC000083412087 178419740 /nfs/dbraw/zinc/41/97/40/178419740.db2.gz KWHBMPVDVNCEEZ-KGLIPLIRSA-N 2 2 255.406 0.781 10 0 CCAELP C[N@@H+]1CCO[C@@H](CNC(=O)N2CC[NH+](CC3CC3)CC2)C1 ZINC000105281264 349721599 /nfs/dbraw/zinc/72/15/99/349721599.db2.gz IWSQLMDEKNFFMF-AWEZNQCLSA-N 2 2 296.415 0.054 10 0 CCAELP C[N@H+]1CCO[C@@H](CNC(=O)N2CC[NH+](CC3CC3)CC2)C1 ZINC000105281264 349721604 /nfs/dbraw/zinc/72/16/04/349721604.db2.gz IWSQLMDEKNFFMF-AWEZNQCLSA-N 2 2 296.415 0.054 10 0 CCAELP C[N@H+]1CCO[C@@H](CNC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000104779728 349717950 /nfs/dbraw/zinc/71/79/50/349717950.db2.gz NRQFGMAECJHWOT-AWEZNQCLSA-N 2 2 296.415 0.243 10 0 CCAELP CCCc1csc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)n1 ZINC000263139067 137059044 /nfs/dbraw/zinc/05/90/44/137059044.db2.gz CGECHIFCWOBBGV-KOLCDFICSA-N 2 2 255.387 0.766 10 0 CCAELP CC1(C)C[N@H+](CC(=O)NCC2CCC2)CC[C@H]1[NH3+] ZINC000261769462 137019069 /nfs/dbraw/zinc/01/90/69/137019069.db2.gz RZNCLBLIAHBEDM-GFCCVEGCSA-N 2 2 253.390 0.962 10 0 CCAELP CC1(C)C[N@@H+](CC(=O)NCC2CCC2)CC[C@H]1[NH3+] ZINC000261769462 137019070 /nfs/dbraw/zinc/01/90/70/137019070.db2.gz RZNCLBLIAHBEDM-GFCCVEGCSA-N 2 2 253.390 0.962 10 0 CCAELP [NH3+]C[C@H]1CC[C@@H](C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)O1 ZINC000261994906 137027384 /nfs/dbraw/zinc/02/73/84/137027384.db2.gz NCBADSMUWPFDFR-NEPJUHHUSA-N 2 2 278.356 0.622 10 0 CCAELP COc1cc(C)nc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)c1 ZINC000262182959 137029949 /nfs/dbraw/zinc/02/99/49/137029949.db2.gz XCVBTIZPFKUKFD-GWCFXTLKSA-N 2 2 251.330 0.069 10 0 CCAELP COc1cc(C)[nH+]c(CNC[C@H]2C[NH2+]C[C@@H]2O)c1 ZINC000262182959 137029950 /nfs/dbraw/zinc/02/99/50/137029950.db2.gz XCVBTIZPFKUKFD-GWCFXTLKSA-N 2 2 251.330 0.069 10 0 CCAELP COc1cc(OC)c(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)c(OC)c1 ZINC000263247560 137061753 /nfs/dbraw/zinc/06/17/53/137061753.db2.gz PMNSZVKKKIFOKB-GXFFZTMASA-N 2 2 296.367 0.382 10 0 CCAELP C[C@@H]1CCc2nc(C[NH2+]C[C@H]3C[NH2+]C[C@H]3O)sc2C1 ZINC000263270595 137062192 /nfs/dbraw/zinc/06/21/92/137062192.db2.gz SBXMWLUHAFHLSW-CKYFFXLPSA-N 2 2 281.425 0.938 10 0 CCAELP CCOc1ccccc1N1CC[NH+](C[C@@H](O)C[NH3+])CC1 ZINC000034419046 348149885 /nfs/dbraw/zinc/14/98/85/348149885.db2.gz LSQYVSBHTDOKQL-ZDUSSCGKSA-N 2 2 279.384 0.527 10 0 CCAELP O=C(C1CCN(c2cc[nH+]nc2)CC1)N1CC[NH2+]CC1 ZINC000034510094 348150562 /nfs/dbraw/zinc/15/05/62/348150562.db2.gz KRADGQZCUYBFJM-UHFFFAOYSA-N 2 2 275.356 0.125 10 0 CCAELP O=C1CCC(=O)N1CC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000120675556 349999266 /nfs/dbraw/zinc/99/92/66/349999266.db2.gz GHKYEQJRPYNVGX-UHFFFAOYSA-N 2 2 279.384 0.696 10 0 CCAELP CC[N@H+](CC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)C1CC1 ZINC000153047510 350550958 /nfs/dbraw/zinc/55/09/58/350550958.db2.gz HWVUEJBZYXMPDF-AWEZNQCLSA-N 2 2 281.400 0.404 10 0 CCAELP CC[N@@H+](CC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)C1CC1 ZINC000153047510 350550961 /nfs/dbraw/zinc/55/09/61/350550961.db2.gz HWVUEJBZYXMPDF-AWEZNQCLSA-N 2 2 281.400 0.404 10 0 CCAELP C[C@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)[NH+]1CCOCC1 ZINC000170829546 350865960 /nfs/dbraw/zinc/86/59/60/350865960.db2.gz PZGRAWUTRBYFEK-OLZOCXBDSA-N 2 2 284.404 0.053 10 0 CCAELP C[NH+](C)C[C@@H]1CN(C(=O)NCCCn2cc[nH+]c2)CCO1 ZINC000172113455 350958244 /nfs/dbraw/zinc/95/82/44/350958244.db2.gz UUGDBXPYQHKPBK-CYBMUJFWSA-N 2 2 295.387 0.245 10 0 CCAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCN1C(=O)CCC1=O ZINC000178284690 351225977 /nfs/dbraw/zinc/22/59/77/351225977.db2.gz USYSMZQUZBYIST-ZDUSSCGKSA-N 2 2 290.367 0.805 10 0 CCAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCN1C(=O)CCC1=O ZINC000178284690 351225980 /nfs/dbraw/zinc/22/59/80/351225980.db2.gz USYSMZQUZBYIST-ZDUSSCGKSA-N 2 2 290.367 0.805 10 0 CCAELP C[N@H+]1C[C@@H]2C[NH+](CC(=O)NC(C3CC3)C3CC3)C[C@@H]2C1 ZINC000193642221 351838553 /nfs/dbraw/zinc/83/85/53/351838553.db2.gz FSGASSOPWLLPAW-OKILXGFUSA-N 2 2 277.412 0.785 10 0 CCAELP C[N@@H+]1C[C@@H]2C[NH+](CC(=O)NC(C3CC3)C3CC3)C[C@@H]2C1 ZINC000193642221 351838556 /nfs/dbraw/zinc/83/85/56/351838556.db2.gz FSGASSOPWLLPAW-OKILXGFUSA-N 2 2 277.412 0.785 10 0 CCAELP C[NH+]1C[C@@H]2C[N@@H+](CC(=O)NC(C3CC3)C3CC3)C[C@@H]2C1 ZINC000193642221 351838559 /nfs/dbraw/zinc/83/85/59/351838559.db2.gz FSGASSOPWLLPAW-OKILXGFUSA-N 2 2 277.412 0.785 10 0 CCAELP C[NH+]1C[C@@H]2C[N@H+](CC(=O)NC(C3CC3)C3CC3)C[C@@H]2C1 ZINC000193642221 351838562 /nfs/dbraw/zinc/83/85/62/351838562.db2.gz FSGASSOPWLLPAW-OKILXGFUSA-N 2 2 277.412 0.785 10 0 CCAELP COc1c(N)[nH+]cnc1N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000227372225 352048134 /nfs/dbraw/zinc/04/81/34/352048134.db2.gz RKXMRFCOSSVMBA-RKDXNWHRSA-N 2 2 251.334 0.454 10 0 CCAELP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCCn2cc[nH+]c2)C1 ZINC000246162212 352351032 /nfs/dbraw/zinc/35/10/32/352351032.db2.gz DKMSCYCXLVXKKD-QWHCGFSZSA-N 2 2 279.388 0.911 10 0 CCAELP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)NCCn2cc[nH+]c2)C1 ZINC000246162212 352351035 /nfs/dbraw/zinc/35/10/35/352351035.db2.gz DKMSCYCXLVXKKD-QWHCGFSZSA-N 2 2 279.388 0.911 10 0 CCAELP Cc1cc(C(C)C)nc(N2CC[N@H+](C)C[C@H]2C[NH3+])n1 ZINC000253027323 352528128 /nfs/dbraw/zinc/52/81/28/352528128.db2.gz OHFBODNYSVUPHV-GFCCVEGCSA-N 2 2 263.389 0.988 10 0 CCAELP Cc1cc(C(C)C)nc(N2CC[N@@H+](C)C[C@H]2C[NH3+])n1 ZINC000253027323 352528133 /nfs/dbraw/zinc/52/81/33/352528133.db2.gz OHFBODNYSVUPHV-GFCCVEGCSA-N 2 2 263.389 0.988 10 0 CCAELP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1COCC[NH2+]1 ZINC000263229157 352592206 /nfs/dbraw/zinc/59/22/06/352592206.db2.gz BLQMTNPCLYTMFO-ZIAGYGMSSA-N 2 2 283.416 0.746 10 0 CCAELP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1COCC[NH2+]1 ZINC000263229157 352592209 /nfs/dbraw/zinc/59/22/09/352592209.db2.gz BLQMTNPCLYTMFO-ZIAGYGMSSA-N 2 2 283.416 0.746 10 0 CCAELP Cc1cc(N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)nc(C)[nH+]1 ZINC000266447848 352703072 /nfs/dbraw/zinc/70/30/72/352703072.db2.gz WYAJGEPVOFCAPM-RYUDHWBXSA-N 2 2 264.373 0.985 10 0 CCAELP Cc1cc(N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)nc(C)[nH+]1 ZINC000266447848 352703073 /nfs/dbraw/zinc/70/30/73/352703073.db2.gz WYAJGEPVOFCAPM-RYUDHWBXSA-N 2 2 264.373 0.985 10 0 CCAELP CN(C[C@@H]1CCc2[nH+]ccn2C1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000328623152 354239929 /nfs/dbraw/zinc/23/99/29/354239929.db2.gz IYFVVQYTPPMZQJ-QWHCGFSZSA-N 2 2 292.383 0.235 10 0 CCAELP CN(C[C@@H]1CCc2[nH+]ccn2C1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000328623152 354239933 /nfs/dbraw/zinc/23/99/33/354239933.db2.gz IYFVVQYTPPMZQJ-QWHCGFSZSA-N 2 2 292.383 0.235 10 0 CCAELP NC(=O)c1cccc(C[NH2+]C2CC[NH+](CCO)CC2)c1 ZINC000399143931 357782025 /nfs/dbraw/zinc/78/20/25/357782025.db2.gz VWVIQBQWGUYKNV-UHFFFAOYSA-N 2 2 277.368 0.332 10 0 CCAELP CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000571044246 358906413 /nfs/dbraw/zinc/90/64/13/358906413.db2.gz SBJQSCHWRVZYCE-QWRGUYRKSA-N 2 2 275.343 0.830 10 0 CCAELP CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000571044246 358906414 /nfs/dbraw/zinc/90/64/14/358906414.db2.gz SBJQSCHWRVZYCE-QWRGUYRKSA-N 2 2 275.343 0.830 10 0 CCAELP S=C(SCC[NH+]1CCOCC1)N1CC[NH2+]CC1 ZINC000584626141 359183094 /nfs/dbraw/zinc/18/30/94/359183094.db2.gz SKHKEUAVPDYZFZ-UHFFFAOYSA-N 2 2 275.443 0.242 10 0 CCAELP C[N@@H+]1CC[C@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC000329525023 202371860 /nfs/dbraw/zinc/37/18/60/202371860.db2.gz SKSSWWIWBYBFGA-WCQYABFASA-N 2 2 262.357 0.895 10 0 CCAELP C[N@H+]1CC[C@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC000329525023 202371863 /nfs/dbraw/zinc/37/18/63/202371863.db2.gz SKSSWWIWBYBFGA-WCQYABFASA-N 2 2 262.357 0.895 10 0 CCAELP C[N@@H+]1CC[C@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC000329525023 202371867 /nfs/dbraw/zinc/37/18/67/202371867.db2.gz SKSSWWIWBYBFGA-WCQYABFASA-N 2 2 262.357 0.895 10 0 CCAELP C[N@H+]1CC[C@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC000329525023 202371870 /nfs/dbraw/zinc/37/18/70/202371870.db2.gz SKSSWWIWBYBFGA-WCQYABFASA-N 2 2 262.357 0.895 10 0 CCAELP C[C@H]1C[N@H+](CC(=O)NCc2cccs2)C[C@H]1C[NH3+] ZINC000631842972 370707770 /nfs/dbraw/zinc/70/77/70/370707770.db2.gz IBVNWEWLIRXXNL-WDEREUQCSA-N 2 2 267.398 0.891 10 0 CCAELP C[C@H]1C[N@@H+](CC(=O)NCc2cccs2)C[C@H]1C[NH3+] ZINC000631842972 370707778 /nfs/dbraw/zinc/70/77/78/370707778.db2.gz IBVNWEWLIRXXNL-WDEREUQCSA-N 2 2 267.398 0.891 10 0 CCAELP C[C@@H]1C[N@H+](CC(=O)NCc2cccs2)C[C@@H]1C[NH3+] ZINC000631842970 370708776 /nfs/dbraw/zinc/70/87/76/370708776.db2.gz IBVNWEWLIRXXNL-MNOVXSKESA-N 2 2 267.398 0.891 10 0 CCAELP C[C@@H]1C[N@@H+](CC(=O)NCc2cccs2)C[C@@H]1C[NH3+] ZINC000631842970 370708783 /nfs/dbraw/zinc/70/87/83/370708783.db2.gz IBVNWEWLIRXXNL-MNOVXSKESA-N 2 2 267.398 0.891 10 0 CCAELP CC(C)(C)OC(=O)NCC[C@@H]1CC[N@H+](CC[NH3+])CCO1 ZINC000616665553 365418850 /nfs/dbraw/zinc/41/88/50/365418850.db2.gz MCZFUDSNWPUNFJ-GFCCVEGCSA-N 2 2 287.404 0.951 10 0 CCAELP CC(C)(C)OC(=O)NCC[C@@H]1CC[N@@H+](CC[NH3+])CCO1 ZINC000616665553 365418859 /nfs/dbraw/zinc/41/88/59/365418859.db2.gz MCZFUDSNWPUNFJ-GFCCVEGCSA-N 2 2 287.404 0.951 10 0 CCAELP CO[C@@H]1C[N@H+](CCO[C@H]2CC2(F)F)[C@](C)(C[NH3+])C1 ZINC000630362916 370064114 /nfs/dbraw/zinc/06/41/14/370064114.db2.gz ALDLYHBZZNFJAA-DCAQKATOSA-N 2 2 264.316 0.849 10 0 CCAELP CO[C@@H]1C[N@@H+](CCO[C@H]2CC2(F)F)[C@](C)(C[NH3+])C1 ZINC000630362916 370064117 /nfs/dbraw/zinc/06/41/17/370064117.db2.gz ALDLYHBZZNFJAA-DCAQKATOSA-N 2 2 264.316 0.849 10 0 CCAELP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3nnnn3Cc3ccccc3)C[C@H]12 ZINC000393942840 285213047 /nfs/dbraw/zinc/21/30/47/285213047.db2.gz MCKZNTOEVDSSSG-SOUVJXGZSA-N 2 2 298.394 0.891 10 0 CCAELP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3nnnn3Cc3ccccc3)C[C@H]12 ZINC000393942840 285213048 /nfs/dbraw/zinc/21/30/48/285213048.db2.gz MCKZNTOEVDSSSG-SOUVJXGZSA-N 2 2 298.394 0.891 10 0 CCAELP [NH3+]Cc1ccc(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)cc1 ZINC000186452228 388837400 /nfs/dbraw/zinc/83/74/00/388837400.db2.gz ISKCSHZJHPJWMZ-HNNXBMFYSA-N 2 2 289.379 0.738 10 0 CCAELP [NH3+]Cc1ccc(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)cc1 ZINC000186452228 388837404 /nfs/dbraw/zinc/83/74/04/388837404.db2.gz ISKCSHZJHPJWMZ-HNNXBMFYSA-N 2 2 289.379 0.738 10 0 CCAELP CC[N@H+](CCCNC(=O)[C@@H]1C[C@H](O)C[NH2+]1)c1ccccc1 ZINC000040833124 388857796 /nfs/dbraw/zinc/85/77/96/388857796.db2.gz GTIOLQRVNHVNTI-GJZGRUSLSA-N 2 2 291.395 0.742 10 0 CCAELP CC[N@@H+](CCCNC(=O)[C@@H]1C[C@H](O)C[NH2+]1)c1ccccc1 ZINC000040833124 388857800 /nfs/dbraw/zinc/85/78/00/388857800.db2.gz GTIOLQRVNHVNTI-GJZGRUSLSA-N 2 2 291.395 0.742 10 0 CCAELP CC[N@@H+]1CCC[C@H](NC(=O)NCCn2cc[nH+]c2)C1 ZINC000194132303 389088768 /nfs/dbraw/zinc/08/87/68/389088768.db2.gz YJZLAVNCIVESHX-LBPRGKRZSA-N 2 2 265.361 0.667 10 0 CCAELP CC[N@H+]1CCC[C@H](NC(=O)NCCn2cc[nH+]c2)C1 ZINC000194132303 389088772 /nfs/dbraw/zinc/08/87/72/389088772.db2.gz YJZLAVNCIVESHX-LBPRGKRZSA-N 2 2 265.361 0.667 10 0 CCAELP C[N@@H+]1CCO[C@H](C(=O)N2CC[NH+]3CCCC[C@H]3C2)C1 ZINC000245465205 389209591 /nfs/dbraw/zinc/20/95/91/389209591.db2.gz QDHXLDFOAPGBSB-STQMWFEESA-N 2 2 267.373 0.014 10 0 CCAELP C[N@H+]1CCO[C@H](C(=O)N2CC[NH+]3CCCC[C@H]3C2)C1 ZINC000245465205 389209595 /nfs/dbraw/zinc/20/95/95/389209595.db2.gz QDHXLDFOAPGBSB-STQMWFEESA-N 2 2 267.373 0.014 10 0 CCAELP C[NH+]1CCO[C@H](C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)C1 ZINC000245465205 389209599 /nfs/dbraw/zinc/20/95/99/389209599.db2.gz QDHXLDFOAPGBSB-STQMWFEESA-N 2 2 267.373 0.014 10 0 CCAELP C[NH+]1CCO[C@H](C(=O)N2CC[N@H+]3CCCC[C@H]3C2)C1 ZINC000245465205 389209601 /nfs/dbraw/zinc/20/96/01/389209601.db2.gz QDHXLDFOAPGBSB-STQMWFEESA-N 2 2 267.373 0.014 10 0 CCAELP C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000246358376 389227388 /nfs/dbraw/zinc/22/73/88/389227388.db2.gz DXQGEAFLNRHSHU-OCCSQVGLSA-N 2 2 296.415 0.101 10 0 CCAELP C[N@H+]1CCO[C@@H](CNC(=O)NC[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000246358376 389227391 /nfs/dbraw/zinc/22/73/91/389227391.db2.gz DXQGEAFLNRHSHU-OCCSQVGLSA-N 2 2 296.415 0.101 10 0 CCAELP C[NH+]1CCO[C@@H](CNC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000246358376 389227394 /nfs/dbraw/zinc/22/73/94/389227394.db2.gz DXQGEAFLNRHSHU-OCCSQVGLSA-N 2 2 296.415 0.101 10 0 CCAELP C[NH+]1CCO[C@@H](CNC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000246358376 389227398 /nfs/dbraw/zinc/22/73/98/389227398.db2.gz DXQGEAFLNRHSHU-OCCSQVGLSA-N 2 2 296.415 0.101 10 0 CCAELP CCC[C@H](C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1)[NH+](C)C ZINC000155966571 389323059 /nfs/dbraw/zinc/32/30/59/389323059.db2.gz PWMJJYBUVIYCIO-UONOGXRCSA-N 2 2 283.416 0.696 10 0 CCAELP CCC[C@H](C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1)[NH+](C)C ZINC000155966571 389323060 /nfs/dbraw/zinc/32/30/60/389323060.db2.gz PWMJJYBUVIYCIO-UONOGXRCSA-N 2 2 283.416 0.696 10 0 CCAELP C[N@@H+]1CCO[C@@H]2CCN(C(=O)N[C@H]3CCCC[NH2+]C3)C[C@H]21 ZINC000333776962 389443172 /nfs/dbraw/zinc/44/31/72/389443172.db2.gz DBKROKSWXXLHSD-BFHYXJOUSA-N 2 2 296.415 0.243 10 0 CCAELP C[N@H+]1CCO[C@@H]2CCN(C(=O)N[C@H]3CCCC[NH2+]C3)C[C@H]21 ZINC000333776962 389443175 /nfs/dbraw/zinc/44/31/75/389443175.db2.gz DBKROKSWXXLHSD-BFHYXJOUSA-N 2 2 296.415 0.243 10 0 CCAELP COC[C@@H](O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000180710516 389674452 /nfs/dbraw/zinc/67/44/52/389674452.db2.gz GBEFJAPIFUBYJM-STQMWFEESA-N 2 2 265.357 0.823 10 0 CCAELP COC[C@@H](O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000180710516 389674455 /nfs/dbraw/zinc/67/44/55/389674455.db2.gz GBEFJAPIFUBYJM-STQMWFEESA-N 2 2 265.357 0.823 10 0 CCAELP COC[C@@H]1CCCC[N@H+](Cc2noc(C[NH3+])n2)C1 ZINC000647991235 390241030 /nfs/dbraw/zinc/24/10/30/390241030.db2.gz OAWULHXIOHKVNQ-SNVBAGLBSA-N 2 2 254.334 0.777 10 0 CCAELP COC[C@@H]1CCCC[N@@H+](Cc2noc(C[NH3+])n2)C1 ZINC000647991235 390241032 /nfs/dbraw/zinc/24/10/32/390241032.db2.gz OAWULHXIOHKVNQ-SNVBAGLBSA-N 2 2 254.334 0.777 10 0 CCAELP O=C(NCCCCn1cc[nH+]c1)[C@@H]1C[NH2+]CCOC1 ZINC000649302979 390562276 /nfs/dbraw/zinc/56/22/76/390562276.db2.gz MAGLSYKNNURRNS-GFCCVEGCSA-N 2 2 266.345 0.016 10 0 CCAELP C[C@H](CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1)[NH+]1CCCC1 ZINC000646408275 390678390 /nfs/dbraw/zinc/67/83/90/390678390.db2.gz HSAFXUULWYGNCK-ZJUUUORDSA-N 2 2 261.316 0.584 10 0 CCAELP CC[C@@H](O)C[NH+]1CCN([C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000180479849 286943539 /nfs/dbraw/zinc/94/35/39/286943539.db2.gz PBVQZZLLNNMCPW-LSDHHAIUSA-N 2 2 285.432 0.096 10 0 CCAELP O=C(CC[NH2+][C@@H]1C[NH+]2CCC1CC2)N1CCCC1 ZINC000020441413 171205097 /nfs/dbraw/zinc/20/50/97/171205097.db2.gz MDPDDFRNWDMWIJ-CYBMUJFWSA-N 2 2 251.374 0.683 10 0 CCAELP CCC[N@H+]([C@@H]1CCS(=O)(=O)C1)C1CC[NH2+]CC1 ZINC000038085471 174096338 /nfs/dbraw/zinc/09/63/38/174096338.db2.gz GCTMOANQUQFWPX-GFCCVEGCSA-N 2 2 260.403 0.638 10 0 CCAELP CCC[N@@H+]([C@@H]1CCS(=O)(=O)C1)C1CC[NH2+]CC1 ZINC000038085471 174096340 /nfs/dbraw/zinc/09/63/40/174096340.db2.gz GCTMOANQUQFWPX-GFCCVEGCSA-N 2 2 260.403 0.638 10 0 CCAELP C[NH+]1CCN(Nc2[nH+]cnc(NC(C)(C)C)c2N)CC1 ZINC000040680529 174374958 /nfs/dbraw/zinc/37/49/58/174374958.db2.gz LPBSDFRRDLUZTB-UHFFFAOYSA-N 2 2 279.392 0.844 10 0 CCAELP CNc1cc(N2CCC[C@H]2CNC(=O)C[NH+](C)C)nc[nH+]1 ZINC000174742994 277301903 /nfs/dbraw/zinc/30/19/03/277301903.db2.gz SKMKRKORGYYKMX-NSHDSACASA-N 2 2 292.387 0.165 10 0 CCAELP CNc1cc(N2CCC[C@H]2CNC(=O)C[NH+](C)C)[nH+]cn1 ZINC000174742994 277301905 /nfs/dbraw/zinc/30/19/05/277301905.db2.gz SKMKRKORGYYKMX-NSHDSACASA-N 2 2 292.387 0.165 10 0 CCAELP [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000261737209 295314844 /nfs/dbraw/zinc/31/48/44/295314844.db2.gz LMRKBKNEJIOZPR-BFHYXJOUSA-N 2 2 281.400 0.437 10 0 CCAELP CCOC(=O)[C@@H](CCN1CCC[N@H+](C)CC1)[NH2+]C ZINC000062444165 521057460 /nfs/dbraw/zinc/05/74/60/521057460.db2.gz YIQUQDLBLIKCAX-GFCCVEGCSA-N 2 2 257.378 0.165 10 0 CCAELP CCOC(=O)[C@@H](CCN1CCC[N@@H+](C)CC1)[NH2+]C ZINC000062444165 521057466 /nfs/dbraw/zinc/05/74/66/521057466.db2.gz YIQUQDLBLIKCAX-GFCCVEGCSA-N 2 2 257.378 0.165 10 0 CCAELP C(C[NH+]1CCOCC1)N1CC[C@H](C[NH2+]C2CC2)C1 ZINC000053012444 518388364 /nfs/dbraw/zinc/38/83/64/518388364.db2.gz XDENATBLIFJFFV-CYBMUJFWSA-N 2 2 253.390 0.393 10 0 CCAELP CC(C)[C@H](C[NH+](C)C)[NH2+]C1CCN(C(N)=O)CC1 ZINC000049198928 519814488 /nfs/dbraw/zinc/81/44/88/519814488.db2.gz VQIJKYPXBGQWAZ-LBPRGKRZSA-N 2 2 256.394 0.705 10 0 CCAELP CCCNC(=O)[C@@H](C)[NH2+]C[C@H](O)C[NH+](CC)CC ZINC000049203332 519888688 /nfs/dbraw/zinc/88/86/88/519888688.db2.gz UVBMOFLNOLXJPU-NEPJUHHUSA-N 2 2 259.394 0.193 10 0 CCAELP CN[C@H](CC[NH+]1CCC([NH+](C)C)CC1)C(=O)OC ZINC000062449374 522459443 /nfs/dbraw/zinc/45/94/43/522459443.db2.gz PXAQGPUSCZTYTF-GFCCVEGCSA-N 2 2 257.378 0.164 10 0 CCAELP C[NH2+][C@H](CCN1CCC([NH+](C)C)CC1)C(=O)OC ZINC000062449374 522459449 /nfs/dbraw/zinc/45/94/49/522459449.db2.gz PXAQGPUSCZTYTF-GFCCVEGCSA-N 2 2 257.378 0.164 10 0 CCAELP CC(C)(C)OC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C1C[NH2+]C[NH2+]C1 ZINC000669384843 545206279 /nfs/dbraw/zinc/20/62/79/545206279.db2.gz JFESKUDHTZKLEP-VXGBXAGGSA-N 3 2 284.404 0.256 10 0 CCAELP CC[C@@H](C(=O)N[C@H]1CCc2[nH+]ccn2C1)[NH+](C)C ZINC000362801914 535428076 /nfs/dbraw/zinc/42/80/76/535428076.db2.gz JJPYVGDIQXRJFV-QWRGUYRKSA-N 2 2 250.346 0.654 10 0 CCAELP COc1ccc2nc(C[NH2+]C[C@H]3C[NH2+]C[C@@H]3O)sc2c1 ZINC000263212653 537053451 /nfs/dbraw/zinc/05/34/51/537053451.db2.gz KKWNXCHHHGYESO-SKDRFNHKSA-N 2 2 293.392 0.975 10 0 CCAELP [NH3+][C@@H](CC1CC1)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000311881339 623810773 /nfs/dbraw/zinc/81/07/73/623810773.db2.gz UQAZDTOIVXFKSU-OLZOCXBDSA-N 2 2 267.373 0.047 10 0 CCAELP C[C@@H](CNC(=O)CCCCCC[NH3+])[NH+]1CCOCC1 ZINC000237534156 636686479 /nfs/dbraw/zinc/68/64/79/636686479.db2.gz LSYKIXMVCRGDHU-ZDUSSCGKSA-N 2 2 271.405 0.733 10 0 CCAELP [NH3+]Cc1cccc(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)c1 ZINC000062975634 637190246 /nfs/dbraw/zinc/19/02/46/637190246.db2.gz NGWOULKINLDITK-OAHLLOKOSA-N 2 2 289.379 0.692 10 0 CCAELP COC(=O)[C@H]1C[N@H+](CCn2cc[nH+]c2C)C[C@H]1C ZINC000250832122 649792570 /nfs/dbraw/zinc/79/25/70/649792570.db2.gz BRWJVIHAZJSAIA-PWSUYJOCSA-N 2 2 251.330 0.932 10 0 CCAELP COC(=O)[C@H]1C[N@@H+](CCn2cc[nH+]c2C)C[C@H]1C ZINC000250832122 649792572 /nfs/dbraw/zinc/79/25/72/649792572.db2.gz BRWJVIHAZJSAIA-PWSUYJOCSA-N 2 2 251.330 0.932 10 0 CCAELP C[N@@H+]1CCO[C@H](CNC(=O)CCC2CC[NH2+]CC2)C1 ZINC000091669412 349472751 /nfs/dbraw/zinc/47/27/51/349472751.db2.gz DLSYKCFFMDVQRP-CYBMUJFWSA-N 2 2 269.389 0.213 10 0 CCAELP C[N@H+]1CCO[C@H](CNC(=O)CCC2CC[NH2+]CC2)C1 ZINC000091669412 349472754 /nfs/dbraw/zinc/47/27/54/349472754.db2.gz DLSYKCFFMDVQRP-CYBMUJFWSA-N 2 2 269.389 0.213 10 0 CCAELP C[C@H](CNC(=O)NC[C@@H]1C[N@H+](C)CCO1)[NH+](C)C1CC1 ZINC000105263665 349721541 /nfs/dbraw/zinc/72/15/41/349721541.db2.gz DHYGJHNDNGZGFW-DGCLKSJQSA-N 2 2 284.404 0.099 10 0 CCAELP C[C@H](CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1)[NH+](C)C1CC1 ZINC000105263665 349721543 /nfs/dbraw/zinc/72/15/43/349721543.db2.gz DHYGJHNDNGZGFW-DGCLKSJQSA-N 2 2 284.404 0.099 10 0 CCAELP C[C@H](CNC(=O)NC[C@@H]1C[NH+](C)CCO1)[N@H+](C)C1CC1 ZINC000105263665 349721544 /nfs/dbraw/zinc/72/15/44/349721544.db2.gz DHYGJHNDNGZGFW-DGCLKSJQSA-N 2 2 284.404 0.099 10 0 CCAELP C[C@H](CNC(=O)NC[C@@H]1C[NH+](C)CCO1)[N@@H+](C)C1CC1 ZINC000105263665 349721546 /nfs/dbraw/zinc/72/15/46/349721546.db2.gz DHYGJHNDNGZGFW-DGCLKSJQSA-N 2 2 284.404 0.099 10 0 CCAELP Cn1cc[nH+]c1CC1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC000105876091 349726429 /nfs/dbraw/zinc/72/64/29/349726429.db2.gz ZKNKLOWIRXWVLI-LBPRGKRZSA-N 2 2 263.341 0.990 10 0 CCAELP OC[C@@H]1CCCN(c2cc(N[C@H]3CCC[NH2+]C3)nc[nH+]2)C1 ZINC000333123448 136385372 /nfs/dbraw/zinc/38/53/72/136385372.db2.gz AAPRGLZUOSSNDY-OLZOCXBDSA-N 2 2 291.399 0.849 10 0 CCAELP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cnc(C(F)(F)F)s1 ZINC000263281649 137062535 /nfs/dbraw/zinc/06/25/35/137062535.db2.gz UIRRPKUDHGHUPK-SVRRBLITSA-N 2 2 281.303 0.832 10 0 CCAELP O=C(C[C@H]1C[NH2+]CCO1)Nc1c[nH+]c2n1CCCC2 ZINC000067605481 348778467 /nfs/dbraw/zinc/77/84/67/348778467.db2.gz QKHNOQSHJAGUIA-JTQLQIEISA-N 2 2 264.329 0.536 10 0 CCAELP CC1CC[NH+](CC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)CC1 ZINC000121544370 350044597 /nfs/dbraw/zinc/04/45/97/350044597.db2.gz ZTMXYURDPNMGPU-OAHLLOKOSA-N 2 2 295.427 0.651 10 0 CCAELP CN(CC1CC[NH+](C)CC1)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000104797984 186023726 /nfs/dbraw/zinc/02/37/26/186023726.db2.gz GWTQBUCSUGRVRQ-AWEZNQCLSA-N 2 2 298.431 0.300 10 0 CCAELP CN(CC1CC[NH+](C)CC1)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000104797984 186023728 /nfs/dbraw/zinc/02/37/28/186023728.db2.gz GWTQBUCSUGRVRQ-AWEZNQCLSA-N 2 2 298.431 0.300 10 0 CCAELP CC[NH+]1CCC(NC(=O)NC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000105084277 186041399 /nfs/dbraw/zinc/04/13/99/186041399.db2.gz KKSLZVRRPBXNOG-CYBMUJFWSA-N 2 2 284.404 0.101 10 0 CCAELP CC[NH+]1CCC(NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000105084277 186041400 /nfs/dbraw/zinc/04/14/00/186041400.db2.gz KKSLZVRRPBXNOG-CYBMUJFWSA-N 2 2 284.404 0.101 10 0 CCAELP C[C@@H](CNC(=O)NC[C@H](C)[NH+]1CCOCC1)[N@H+](C)C1CC1 ZINC000105124355 186044082 /nfs/dbraw/zinc/04/40/82/186044082.db2.gz BOBMCDYLMCIAGP-STQMWFEESA-N 2 2 298.431 0.489 10 0 CCAELP C[C@@H](CNC(=O)NC[C@H](C)[NH+]1CCOCC1)[N@@H+](C)C1CC1 ZINC000105124355 186044085 /nfs/dbraw/zinc/04/40/85/186044085.db2.gz BOBMCDYLMCIAGP-STQMWFEESA-N 2 2 298.431 0.489 10 0 CCAELP CC[N@H+](CC(=O)NC[C@@H](C)[NH+]1CCOCC1)C1CC1 ZINC000130930108 350253973 /nfs/dbraw/zinc/25/39/73/350253973.db2.gz QAPNASCUBXKQKK-GFCCVEGCSA-N 2 2 269.389 0.308 10 0 CCAELP CC[N@@H+](CC(=O)NC[C@@H](C)[NH+]1CCOCC1)C1CC1 ZINC000130930108 350253976 /nfs/dbraw/zinc/25/39/76/350253976.db2.gz QAPNASCUBXKQKK-GFCCVEGCSA-N 2 2 269.389 0.308 10 0 CCAELP CC[N@H+](CC(=O)NC[C@H]1C[NH+](C2CC2)CCO1)C1CC1 ZINC000152649198 350536202 /nfs/dbraw/zinc/53/62/02/350536202.db2.gz SHMRFDJBPHHZSJ-AWEZNQCLSA-N 2 2 281.400 0.450 10 0 CCAELP CC[N@@H+](CC(=O)NC[C@H]1C[NH+](C2CC2)CCO1)C1CC1 ZINC000152649198 350536205 /nfs/dbraw/zinc/53/62/05/350536205.db2.gz SHMRFDJBPHHZSJ-AWEZNQCLSA-N 2 2 281.400 0.450 10 0 CCAELP CC[NH+](CC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1)C1CC1 ZINC000152649198 350536206 /nfs/dbraw/zinc/53/62/06/350536206.db2.gz SHMRFDJBPHHZSJ-AWEZNQCLSA-N 2 2 281.400 0.450 10 0 CCAELP CC[NH+](CC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1)C1CC1 ZINC000152649198 350536208 /nfs/dbraw/zinc/53/62/08/350536208.db2.gz SHMRFDJBPHHZSJ-AWEZNQCLSA-N 2 2 281.400 0.450 10 0 CCAELP CC(C)(C)CC[NH+]1CCN(C(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000165699561 350792763 /nfs/dbraw/zinc/79/27/63/350792763.db2.gz MZLYPXFILWRQDU-ZDUSSCGKSA-N 2 2 283.416 0.555 10 0 CCAELP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C[NH+](C)C ZINC000175430710 351129350 /nfs/dbraw/zinc/12/93/50/351129350.db2.gz GWAXUSFCTPQQSL-LBPRGKRZSA-N 2 2 250.346 0.744 10 0 CCAELP c1cn(CCC[N@@H+]2CC[C@@H](N3CCOCC3)C2)c[nH+]1 ZINC000182799278 351370178 /nfs/dbraw/zinc/37/01/78/351370178.db2.gz IZJDEYMHIQJZGP-CQSZACIVSA-N 2 2 264.373 0.680 10 0 CCAELP c1cn(CCC[N@H+]2CC[C@@H](N3CCOCC3)C2)c[nH+]1 ZINC000182799278 351370182 /nfs/dbraw/zinc/37/01/82/351370182.db2.gz IZJDEYMHIQJZGP-CQSZACIVSA-N 2 2 264.373 0.680 10 0 CCAELP C[C@H](CNC(=O)N(C)CC[N@H+](C)C1CC1)[NH+]1CCOCC1 ZINC000185137995 351434256 /nfs/dbraw/zinc/43/42/56/351434256.db2.gz KGNGXYMPGUKJKZ-CYBMUJFWSA-N 2 2 298.431 0.443 10 0 CCAELP C[C@H](CNC(=O)N(C)CC[N@@H+](C)C1CC1)[NH+]1CCOCC1 ZINC000185137995 351434257 /nfs/dbraw/zinc/43/42/57/351434257.db2.gz KGNGXYMPGUKJKZ-CYBMUJFWSA-N 2 2 298.431 0.443 10 0 CCAELP CC(C)[NH2+]CC[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000191403125 351756989 /nfs/dbraw/zinc/75/69/89/351756989.db2.gz YPBOSULBTKSCEB-AWEZNQCLSA-N 2 2 283.416 0.555 10 0 CCAELP CC(C)[NH2+]CC[N@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000191403125 351756991 /nfs/dbraw/zinc/75/69/91/351756991.db2.gz YPBOSULBTKSCEB-AWEZNQCLSA-N 2 2 283.416 0.555 10 0 CCAELP C[N@H+]1C[C@@H]2C[NH+](CCn3cnc4ccccc4c3=O)C[C@@H]2C1 ZINC000193606957 351835053 /nfs/dbraw/zinc/83/50/53/351835053.db2.gz IIBZTBDAIHPUNC-OKILXGFUSA-N 2 2 298.390 0.890 10 0 CCAELP C[N@@H+]1C[C@@H]2C[NH+](CCn3cnc4ccccc4c3=O)C[C@@H]2C1 ZINC000193606957 351835056 /nfs/dbraw/zinc/83/50/56/351835056.db2.gz IIBZTBDAIHPUNC-OKILXGFUSA-N 2 2 298.390 0.890 10 0 CCAELP C[NH+]1C[C@@H]2C[N@@H+](CCn3cnc4ccccc4c3=O)C[C@@H]2C1 ZINC000193606957 351835058 /nfs/dbraw/zinc/83/50/58/351835058.db2.gz IIBZTBDAIHPUNC-OKILXGFUSA-N 2 2 298.390 0.890 10 0 CCAELP C[NH+]1C[C@@H]2C[N@H+](CCn3cnc4ccccc4c3=O)C[C@@H]2C1 ZINC000193606957 351835060 /nfs/dbraw/zinc/83/50/60/351835060.db2.gz IIBZTBDAIHPUNC-OKILXGFUSA-N 2 2 298.390 0.890 10 0 CCAELP CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000195515649 351916553 /nfs/dbraw/zinc/91/65/53/351916553.db2.gz RXCCAGSEHIINAB-NSHDSACASA-N 2 2 291.355 0.271 10 0 CCAELP CNC(=O)NC(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000195515649 351916557 /nfs/dbraw/zinc/91/65/57/351916557.db2.gz RXCCAGSEHIINAB-NSHDSACASA-N 2 2 291.355 0.271 10 0 CCAELP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000246358278 352362375 /nfs/dbraw/zinc/36/23/75/352362375.db2.gz PSQRGWNAIUFZSU-MGPQQGTHSA-N 2 2 298.431 0.299 10 0 CCAELP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000246358278 352362377 /nfs/dbraw/zinc/36/23/77/352362377.db2.gz PSQRGWNAIUFZSU-MGPQQGTHSA-N 2 2 298.431 0.299 10 0 CCAELP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000246358278 352362380 /nfs/dbraw/zinc/36/23/80/352362380.db2.gz PSQRGWNAIUFZSU-MGPQQGTHSA-N 2 2 298.431 0.299 10 0 CCAELP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000246358278 352362383 /nfs/dbraw/zinc/36/23/83/352362383.db2.gz PSQRGWNAIUFZSU-MGPQQGTHSA-N 2 2 298.431 0.299 10 0 CCAELP CC[N@H+](CC(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1)C1CC1 ZINC000246248483 352357018 /nfs/dbraw/zinc/35/70/18/352357018.db2.gz IWOIEELBWLEPBK-ZFWWWQNUSA-N 2 2 295.427 0.650 10 0 CCAELP CC[N@@H+](CC(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1)C1CC1 ZINC000246248483 352357020 /nfs/dbraw/zinc/35/70/20/352357020.db2.gz IWOIEELBWLEPBK-ZFWWWQNUSA-N 2 2 295.427 0.650 10 0 CCAELP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000247252523 352407389 /nfs/dbraw/zinc/40/73/89/352407389.db2.gz PQTYRRXQBPQURW-KBPBESRZSA-N 2 2 298.431 0.300 10 0 CCAELP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000247252523 352407391 /nfs/dbraw/zinc/40/73/91/352407391.db2.gz PQTYRRXQBPQURW-KBPBESRZSA-N 2 2 298.431 0.300 10 0 CCAELP CN(C[C@H]1CCC[NH+](C)C1)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000247252523 352407392 /nfs/dbraw/zinc/40/73/92/352407392.db2.gz PQTYRRXQBPQURW-KBPBESRZSA-N 2 2 298.431 0.300 10 0 CCAELP CN(C[C@H]1CCC[NH+](C)C1)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000247252523 352407394 /nfs/dbraw/zinc/40/73/94/352407394.db2.gz PQTYRRXQBPQURW-KBPBESRZSA-N 2 2 298.431 0.300 10 0 CCAELP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1COCC[NH2+]1 ZINC000263229155 352592566 /nfs/dbraw/zinc/59/25/66/352592566.db2.gz BLQMTNPCLYTMFO-UONOGXRCSA-N 2 2 283.416 0.746 10 0 CCAELP CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1COCC[NH2+]1 ZINC000263229155 352592569 /nfs/dbraw/zinc/59/25/69/352592569.db2.gz BLQMTNPCLYTMFO-UONOGXRCSA-N 2 2 283.416 0.746 10 0 CCAELP Cc1nc(N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)cc[nH+]1 ZINC000266442452 352702374 /nfs/dbraw/zinc/70/23/74/352702374.db2.gz WHWXQIBAVNYXOX-WDEREUQCSA-N 2 2 250.346 0.676 10 0 CCAELP Cc1nc(N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)cc[nH+]1 ZINC000266442452 352702377 /nfs/dbraw/zinc/70/23/77/352702377.db2.gz WHWXQIBAVNYXOX-WDEREUQCSA-N 2 2 250.346 0.676 10 0 CCAELP CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000329059201 202173129 /nfs/dbraw/zinc/17/31/29/202173129.db2.gz NADIREOBTDCGMQ-CQSZACIVSA-N 2 2 292.383 0.767 10 0 CCAELP CC[N@H+]1CCOC[C@@H]1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000329059201 202173131 /nfs/dbraw/zinc/17/31/31/202173131.db2.gz NADIREOBTDCGMQ-CQSZACIVSA-N 2 2 292.383 0.767 10 0 CCAELP CCn1cc(C[NH2+]C2CC[NH+](CCO)CC2)cn1 ZINC000398950561 357779658 /nfs/dbraw/zinc/77/96/58/357779658.db2.gz DCIAGFAWESUROX-UHFFFAOYSA-N 2 2 252.362 0.449 10 0 CCAELP O=C(NCCCCn1cc[nH+]c1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000567786963 358586765 /nfs/dbraw/zinc/58/67/65/358586765.db2.gz YTSSLZPBGASSDK-JTQLQIEISA-N 2 2 272.299 0.777 10 0 CCAELP CCc1nnc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)n1C ZINC000573325083 358957556 /nfs/dbraw/zinc/95/75/56/358957556.db2.gz IJFXYRJLJBIADR-WDEREUQCSA-N 2 2 251.378 0.937 10 0 CCAELP CCc1nnc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)n1C ZINC000573325083 358957557 /nfs/dbraw/zinc/95/75/57/358957557.db2.gz IJFXYRJLJBIADR-WDEREUQCSA-N 2 2 251.378 0.937 10 0 CCAELP CC(C)Cn1ncnc1C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631837974 370704254 /nfs/dbraw/zinc/70/42/54/370704254.db2.gz YLLYXYRHIKKDBZ-NEPJUHHUSA-N 2 2 251.378 0.961 10 0 CCAELP CC(C)Cn1ncnc1C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631837974 370704261 /nfs/dbraw/zinc/70/42/61/370704261.db2.gz YLLYXYRHIKKDBZ-NEPJUHHUSA-N 2 2 251.378 0.961 10 0 CCAELP Cc1cc(=O)n2nc(C[N@H+]3C[C@@H](C)[C@@H](C[NH3+])C3)sc2n1 ZINC000631844410 370710399 /nfs/dbraw/zinc/71/03/99/370710399.db2.gz XDCBUYNIWXKPBB-SCZZXKLOSA-N 2 2 293.396 0.486 10 0 CCAELP Cc1cc(=O)n2nc(C[N@@H+]3C[C@@H](C)[C@@H](C[NH3+])C3)sc2n1 ZINC000631844410 370710403 /nfs/dbraw/zinc/71/04/03/370710403.db2.gz XDCBUYNIWXKPBB-SCZZXKLOSA-N 2 2 293.396 0.486 10 0 CCAELP CN(Cc1[nH+]ccn1C)C(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634770150 372218128 /nfs/dbraw/zinc/21/81/28/372218128.db2.gz BAZNDQNEVYUWPM-FZMZJTMJSA-N 2 2 262.357 0.768 10 0 CCAELP C[NH+](C)Cc1nc([C@@H]2C[N@@H+]3CCC[C@H]3CO2)no1 ZINC000333153068 205075148 /nfs/dbraw/zinc/07/51/48/205075148.db2.gz GZCCEWKMCQOHTD-UWVGGRQHSA-N 2 2 252.318 0.667 10 0 CCAELP C[NH+](C)Cc1nc([C@@H]2C[N@H+]3CCC[C@H]3CO2)no1 ZINC000333153068 205075152 /nfs/dbraw/zinc/07/51/52/205075152.db2.gz GZCCEWKMCQOHTD-UWVGGRQHSA-N 2 2 252.318 0.667 10 0 CCAELP C[C@H]1C[NH2+]CCN1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000333446172 205327382 /nfs/dbraw/zinc/32/73/82/205327382.db2.gz WWAJBKZXCNYJRX-NSHDSACASA-N 2 2 273.340 0.838 10 0 CCAELP CC1(C)COCC[N@@H+]1CCNC(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333458742 205336718 /nfs/dbraw/zinc/33/67/18/205336718.db2.gz YRVHLYLURGZVAV-ZDUSSCGKSA-N 2 2 298.431 0.539 10 0 CCAELP CC1(C)COCC[N@H+]1CCNC(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333458742 205336722 /nfs/dbraw/zinc/33/67/22/205336722.db2.gz YRVHLYLURGZVAV-ZDUSSCGKSA-N 2 2 298.431 0.539 10 0 CCAELP CC(C)CC[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000638273923 374875633 /nfs/dbraw/zinc/87/56/33/374875633.db2.gz COGNPXJEOJQBEC-RYUDHWBXSA-N 2 2 257.378 0.197 10 0 CCAELP CC(C)CC[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000638273923 374875637 /nfs/dbraw/zinc/87/56/37/374875637.db2.gz COGNPXJEOJQBEC-RYUDHWBXSA-N 2 2 257.378 0.197 10 0 CCAELP Cc1c[nH+]ccc1NC(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000334823048 207139673 /nfs/dbraw/zinc/13/96/73/207139673.db2.gz VEUJZFQPZSTXKB-ZDUSSCGKSA-N 2 2 266.320 0.977 10 0 CCAELP CN1CCO[C@@H](C[NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657349753 412966490 /nfs/dbraw/zinc/96/64/90/412966490.db2.gz LVJFTUADKRWXJP-LBPRGKRZSA-N 2 2 250.346 0.250 10 0 CCAELP CC[C@H](C(=O)N1CC[N@H+](CCOC)[C@@H](C)C1)[NH+](C)C ZINC000246842187 285034119 /nfs/dbraw/zinc/03/41/19/285034119.db2.gz BARLRNOEKWWEHZ-QWHCGFSZSA-N 2 2 271.405 0.506 10 0 CCAELP CC[C@H](C(=O)N1CC[N@@H+](CCOC)[C@@H](C)C1)[NH+](C)C ZINC000246842187 285034123 /nfs/dbraw/zinc/03/41/23/285034123.db2.gz BARLRNOEKWWEHZ-QWHCGFSZSA-N 2 2 271.405 0.506 10 0 CCAELP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000335323453 208187634 /nfs/dbraw/zinc/18/76/34/208187634.db2.gz XDYUXYOSCREVFN-GHMZBOCLSA-N 2 2 275.343 0.784 10 0 CCAELP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000335323453 208187638 /nfs/dbraw/zinc/18/76/38/208187638.db2.gz XDYUXYOSCREVFN-GHMZBOCLSA-N 2 2 275.343 0.784 10 0 CCAELP CCn1cc[nH+]c1Cn1cc(CN(C)CCC[NH3+])nn1 ZINC000328073424 389127449 /nfs/dbraw/zinc/12/74/49/389127449.db2.gz FBQSVFWKJLCMGC-UHFFFAOYSA-N 2 2 277.376 0.323 10 0 CCAELP Cc1cc(N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)nc[nH+]1 ZINC000333874706 389447704 /nfs/dbraw/zinc/44/77/04/389447704.db2.gz CJSBYZIJCZZHBQ-GFCCVEGCSA-N 2 2 275.356 0.186 10 0 CCAELP COCC[N@@H+]1CCN(Cc2c[nH+]cn2C)C[C@@H]1C ZINC000177054465 389570621 /nfs/dbraw/zinc/57/06/21/389570621.db2.gz XBWAUKOWVUDWFN-LBPRGKRZSA-N 2 2 252.362 0.573 10 0 CCAELP COCC[N@H+]1CCN(Cc2c[nH+]cn2C)C[C@@H]1C ZINC000177054465 389570625 /nfs/dbraw/zinc/57/06/25/389570625.db2.gz XBWAUKOWVUDWFN-LBPRGKRZSA-N 2 2 252.362 0.573 10 0 CCAELP Nc1nc(-n2cccn2)cc(N2CCC[N@@H+](C3CC3)CC2)[nH+]1 ZINC000179900315 389664013 /nfs/dbraw/zinc/66/40/13/389664013.db2.gz RWERIPVMSYAFQQ-UHFFFAOYSA-N 2 2 299.382 0.919 10 0 CCAELP Nc1nc(-n2cccn2)cc(N2CCC[N@H+](C3CC3)CC2)[nH+]1 ZINC000179900315 389664015 /nfs/dbraw/zinc/66/40/15/389664015.db2.gz RWERIPVMSYAFQQ-UHFFFAOYSA-N 2 2 299.382 0.919 10 0 CCAELP COC[C@H]1CCCC[N@H+](Cc2noc(C[NH3+])n2)C1 ZINC000647991234 390240763 /nfs/dbraw/zinc/24/07/63/390240763.db2.gz OAWULHXIOHKVNQ-JTQLQIEISA-N 2 2 254.334 0.777 10 0 CCAELP COC[C@H]1CCCC[N@@H+](Cc2noc(C[NH3+])n2)C1 ZINC000647991234 390240765 /nfs/dbraw/zinc/24/07/65/390240765.db2.gz OAWULHXIOHKVNQ-JTQLQIEISA-N 2 2 254.334 0.777 10 0 CCAELP Cc1[nH+]ccn1CCCN1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000652341652 412031650 /nfs/dbraw/zinc/03/16/50/412031650.db2.gz BSRKIWNWPZLLAL-KBPBESRZSA-N 2 2 264.373 0.644 10 0 CCAELP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H]2OCCN[C@H]2C1 ZINC000652341652 412031652 /nfs/dbraw/zinc/03/16/52/412031652.db2.gz BSRKIWNWPZLLAL-KBPBESRZSA-N 2 2 264.373 0.644 10 0 CCAELP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H]2OCCN[C@H]2C1 ZINC000652341652 412031655 /nfs/dbraw/zinc/03/16/55/412031655.db2.gz BSRKIWNWPZLLAL-KBPBESRZSA-N 2 2 264.373 0.644 10 0 CCAELP [NH3+]CCC[NH+]1CCN(C(=O)COc2ccccc2)CC1 ZINC000020181782 171045537 /nfs/dbraw/zinc/04/55/37/171045537.db2.gz TWTGKAYDOWIMPY-UHFFFAOYSA-N 2 2 277.368 0.558 10 0 CCAELP [NH3+]Cc1ccc(NC(=O)CCC[N@@H+]2CCNC(=O)C2)cc1 ZINC000022153453 171360458 /nfs/dbraw/zinc/36/04/58/171360458.db2.gz ANASKGRIPCURDG-UHFFFAOYSA-N 2 2 290.367 0.296 10 0 CCAELP [NH3+]Cc1ccc(NC(=O)CCC[N@H+]2CCNC(=O)C2)cc1 ZINC000022153453 171360459 /nfs/dbraw/zinc/36/04/59/171360459.db2.gz ANASKGRIPCURDG-UHFFFAOYSA-N 2 2 290.367 0.296 10 0 CCAELP Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653124048 412231676 /nfs/dbraw/zinc/23/16/76/412231676.db2.gz PBOKCTGDCRHHFA-HTQZYQBOSA-N 2 2 276.262 0.732 10 0 CCAELP Cc1ccc(C[N@@H+](C)CC(=O)N(C)CCC[NH3+])o1 ZINC000035699140 172366515 /nfs/dbraw/zinc/36/65/15/172366515.db2.gz UXZKHGDSHVWCDB-UHFFFAOYSA-N 2 2 253.346 0.827 10 0 CCAELP Cc1ccc(C[N@H+](C)CC(=O)N(C)CCC[NH3+])o1 ZINC000035699140 172366518 /nfs/dbraw/zinc/36/65/18/172366518.db2.gz UXZKHGDSHVWCDB-UHFFFAOYSA-N 2 2 253.346 0.827 10 0 CCAELP COC1CCN([C@@]2(C[NH3+])C[NH+]3CCC2CC3)CC1 ZINC000037265935 173074679 /nfs/dbraw/zinc/07/46/79/173074679.db2.gz FFCGDWNHTBVCNO-AWEZNQCLSA-N 2 2 253.390 0.520 10 0 CCAELP C[C@H](C[NH2+][C@H]1CCS(=O)(=O)C1)C[NH+]1CCCCC1 ZINC000038042083 174044526 /nfs/dbraw/zinc/04/45/26/174044526.db2.gz WKJICICQQMQZSB-OLZOCXBDSA-N 2 2 274.430 0.885 10 0 CCAELP O=C(NCC[NH+]1CCCC1)[C@@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000038043125 174048258 /nfs/dbraw/zinc/04/82/58/174048258.db2.gz QTQYGJWDXUBBQD-HNNXBMFYSA-N 3 2 294.443 0.415 10 0 CCAELP O=C(NCC[NH+]1CCCC1)[C@@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000038043125 174048259 /nfs/dbraw/zinc/04/82/59/174048259.db2.gz QTQYGJWDXUBBQD-HNNXBMFYSA-N 3 2 294.443 0.415 10 0 CCAELP O=C(NC[C@@H]1CCOC1)[C@@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000038043290 174050174 /nfs/dbraw/zinc/05/01/74/174050174.db2.gz GIUUDCPXMVQISB-JSGCOSHPSA-N 2 2 281.400 0.356 10 0 CCAELP O=C(NC[C@@H]1CCOC1)[C@@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000038043290 174050175 /nfs/dbraw/zinc/05/01/75/174050175.db2.gz GIUUDCPXMVQISB-JSGCOSHPSA-N 2 2 281.400 0.356 10 0 CCAELP CCN[C@@](C)(C[N@H+](C)C[C@@H]1CC[NH+](C)C1)C(=O)OC ZINC000071190974 176067860 /nfs/dbraw/zinc/06/78/60/176067860.db2.gz QJMLROGFOSJXAK-OCCSQVGLSA-N 2 2 271.405 0.411 10 0 CCAELP CCN[C@@](C)(C[N@@H+](C)C[C@@H]1CC[NH+](C)C1)C(=O)OC ZINC000071190974 176067861 /nfs/dbraw/zinc/06/78/61/176067861.db2.gz QJMLROGFOSJXAK-OCCSQVGLSA-N 2 2 271.405 0.411 10 0 CCAELP CCN[C@@](C)(C[NH+](C)C[C@@H]1CC[N@H+](C)C1)C(=O)OC ZINC000071190974 176067862 /nfs/dbraw/zinc/06/78/62/176067862.db2.gz QJMLROGFOSJXAK-OCCSQVGLSA-N 2 2 271.405 0.411 10 0 CCAELP CCN[C@@](C)(C[NH+](C)C[C@@H]1CC[N@@H+](C)C1)C(=O)OC ZINC000071190974 176067863 /nfs/dbraw/zinc/06/78/63/176067863.db2.gz QJMLROGFOSJXAK-OCCSQVGLSA-N 2 2 271.405 0.411 10 0 CCAELP C[C@]1(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)CCC[NH2+]1 ZINC000079521464 544473443 /nfs/dbraw/zinc/47/34/43/544473443.db2.gz HEQRNWATEBLJEW-GXTWGEPZSA-N 2 2 267.373 0.062 10 0 CCAELP O=C(CC[C@@H]1CCC[NH2+]1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000261856050 544936756 /nfs/dbraw/zinc/93/67/56/544936756.db2.gz XFNHDHCCSQOYSV-KBPBESRZSA-N 2 2 281.400 0.452 10 0 CCAELP CC[N@H+](CC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)C1CC1 ZINC000153047596 276081739 /nfs/dbraw/zinc/08/17/39/276081739.db2.gz HWVUEJBZYXMPDF-CQSZACIVSA-N 2 2 281.400 0.404 10 0 CCAELP CC[N@@H+](CC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)C1CC1 ZINC000153047596 276081742 /nfs/dbraw/zinc/08/17/42/276081742.db2.gz HWVUEJBZYXMPDF-CQSZACIVSA-N 2 2 281.400 0.404 10 0 CCAELP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000188764725 276181370 /nfs/dbraw/zinc/18/13/70/276181370.db2.gz HRTMXZMBJSXAFI-NSHDSACASA-N 2 2 291.399 0.612 10 0 CCAELP CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000188764725 276181372 /nfs/dbraw/zinc/18/13/72/276181372.db2.gz HRTMXZMBJSXAFI-NSHDSACASA-N 2 2 291.399 0.612 10 0 CCAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1nnn(C)n1 ZINC000194447049 279173214 /nfs/dbraw/zinc/17/32/14/279173214.db2.gz FSZQVGDGPBLZSN-NSHDSACASA-N 2 2 261.333 0.380 10 0 CCAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1nnn(C)n1 ZINC000194447049 279173216 /nfs/dbraw/zinc/17/32/16/279173216.db2.gz FSZQVGDGPBLZSN-NSHDSACASA-N 2 2 261.333 0.380 10 0 CCAELP CC1(C)C[N@@H+]([C@H]2CCN(C3CCOCC3)C2=O)CC[C@H]1[NH3+] ZINC000261638876 281264933 /nfs/dbraw/zinc/26/49/33/281264933.db2.gz DJNLMHAWCBBXNN-UONOGXRCSA-N 2 2 295.427 0.826 10 0 CCAELP CC1(C)C[N@H+]([C@H]2CCN(C3CCOCC3)C2=O)CC[C@H]1[NH3+] ZINC000261638876 281264935 /nfs/dbraw/zinc/26/49/35/281264935.db2.gz DJNLMHAWCBBXNN-UONOGXRCSA-N 2 2 295.427 0.826 10 0 CCAELP C[N@@H+]1CCN(c2ccc(OC(F)F)cn2)[C@H](C[NH3+])C1 ZINC000380943970 336040333 /nfs/dbraw/zinc/04/03/33/336040333.db2.gz RPAVGQHKAFBLDY-SECBINFHSA-N 2 2 272.299 0.762 10 0 CCAELP C[N@H+]1CCN(c2ccc(OC(F)F)cn2)[C@H](C[NH3+])C1 ZINC000380943970 336040334 /nfs/dbraw/zinc/04/03/34/336040334.db2.gz RPAVGQHKAFBLDY-SECBINFHSA-N 2 2 272.299 0.762 10 0 CCAELP CC[NH2+][C@@H](CCN(C)[C@@H]1CCC[N@H+](C)C1)C(=O)OC ZINC000062531798 520086734 /nfs/dbraw/zinc/08/67/34/520086734.db2.gz ZNTANQBLNHAMSZ-OLZOCXBDSA-N 2 2 271.405 0.554 10 0 CCAELP CC[NH2+][C@@H](CCN(C)[C@@H]1CCC[N@@H+](C)C1)C(=O)OC ZINC000062531798 520086745 /nfs/dbraw/zinc/08/67/45/520086745.db2.gz ZNTANQBLNHAMSZ-OLZOCXBDSA-N 2 2 271.405 0.554 10 0 CCAELP CC(C)(C)OC[C@H](O)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]12 ZINC000049567905 518881620 /nfs/dbraw/zinc/88/16/20/518881620.db2.gz VOBNQAVXWSFIQD-JHJVBQTASA-N 2 2 256.390 0.989 10 0 CCAELP CC(C)(C)OC[C@H](O)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]12 ZINC000049567905 518881624 /nfs/dbraw/zinc/88/16/24/518881624.db2.gz VOBNQAVXWSFIQD-JHJVBQTASA-N 2 2 256.390 0.989 10 0 CCAELP CCC[NH+]1CCN(CC[C@H]([NH2+]C)C(=O)OC)CC1 ZINC000062439642 519858501 /nfs/dbraw/zinc/85/85/01/519858501.db2.gz KQYLUSDGFQREOI-LBPRGKRZSA-N 2 2 257.378 0.165 10 0 CCAELP CC[C@H](C)[C@@H](C[NH3+])[NH+]1CCN(CC[NH+](C)C)CC1 ZINC000061643118 521825528 /nfs/dbraw/zinc/82/55/28/521825528.db2.gz GHVAXYOMYSZWGN-UONOGXRCSA-N 3 2 256.438 0.539 10 0 CCAELP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCCS(C)(=O)=O ZINC000054628813 521956495 /nfs/dbraw/zinc/95/64/95/521956495.db2.gz GJKVQGKICZMZCQ-YOGCLGLASA-N 2 2 260.403 0.636 10 0 CCAELP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCS(C)(=O)=O ZINC000054628813 521956501 /nfs/dbraw/zinc/95/65/01/521956501.db2.gz GJKVQGKICZMZCQ-YOGCLGLASA-N 2 2 260.403 0.636 10 0 CCAELP COCCNC(=O)[C@@H](C)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000049235672 523908717 /nfs/dbraw/zinc/90/87/17/523908717.db2.gz VJMYVOCSNJUCML-WDEREUQCSA-N 2 2 254.334 0.012 10 0 CCAELP Cn1cc(CC2=C[C@@H]([NH3+])C[NH2+]C2)c(Br)n1 ZINC000675077763 545321408 /nfs/dbraw/zinc/32/14/08/545321408.db2.gz ICHGPWMLAJSIFO-SECBINFHSA-N 2 2 271.162 0.582 10 0 CCAELP COC[C@@H]([NH3+])C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000167757710 636974765 /nfs/dbraw/zinc/97/47/65/636974765.db2.gz PYNVCMCNUIPCPS-MNOVXSKESA-N 2 2 268.361 0.388 10 0 CCAELP C[N@H+](CCCO)C1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000120226233 349974918 /nfs/dbraw/zinc/97/49/18/349974918.db2.gz MFYDJOXLVFZTRP-CQSZACIVSA-N 2 2 283.416 0.434 10 0 CCAELP C[N@@H+](CCCO)C1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000120226233 349974922 /nfs/dbraw/zinc/97/49/22/349974922.db2.gz MFYDJOXLVFZTRP-CQSZACIVSA-N 2 2 283.416 0.434 10 0 CCAELP CCC[C@](C)([NH3+])C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000262693090 137050510 /nfs/dbraw/zinc/05/05/10/137050510.db2.gz BKTHXFGDZNWONF-OCCSQVGLSA-N 2 2 269.389 0.483 10 0 CCAELP CCC[C@](C)([NH3+])C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000262693090 137050511 /nfs/dbraw/zinc/05/05/11/137050511.db2.gz BKTHXFGDZNWONF-OCCSQVGLSA-N 2 2 269.389 0.483 10 0 CCAELP C[C@@H](C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)[NH+]1CCOCC1 ZINC000261828896 137021539 /nfs/dbraw/zinc/02/15/39/137021539.db2.gz OQLUWMZJLVFDGH-MELADBBJSA-N 2 2 281.400 0.165 10 0 CCAELP Cc1nc(C[N@@H+]2CCCN(C(=O)C3C[NH2+]C3)CC2)cs1 ZINC000262291903 137035938 /nfs/dbraw/zinc/03/59/38/137035938.db2.gz XVSHXFHVUHQVIG-UHFFFAOYSA-N 2 2 294.424 0.705 10 0 CCAELP Cc1nc(C[N@H+]2CCCN(C(=O)C3C[NH2+]C3)CC2)cs1 ZINC000262291903 137035939 /nfs/dbraw/zinc/03/59/39/137035939.db2.gz XVSHXFHVUHQVIG-UHFFFAOYSA-N 2 2 294.424 0.705 10 0 CCAELP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC000263226267 137060877 /nfs/dbraw/zinc/06/08/77/137060877.db2.gz MVSDTDMFGDBJFP-WFASDCNBSA-N 2 2 272.352 0.542 10 0 CCAELP O=C(Nc1cccc(-n2cc[nH+]c2)c1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000037013547 348178915 /nfs/dbraw/zinc/17/89/15/348178915.db2.gz IDPRTLQOYSHZNO-OLZOCXBDSA-N 2 2 272.308 0.534 10 0 CCAELP C[C@H](CNC(=O)NC[C@H](C)[NH+]1CCOCC1)[N@H+](C)C1CC1 ZINC000105124346 186043036 /nfs/dbraw/zinc/04/30/36/186043036.db2.gz BOBMCDYLMCIAGP-OLZOCXBDSA-N 2 2 298.431 0.489 10 0 CCAELP C[C@H](CNC(=O)NC[C@H](C)[NH+]1CCOCC1)[N@@H+](C)C1CC1 ZINC000105124346 186043038 /nfs/dbraw/zinc/04/30/38/186043038.db2.gz BOBMCDYLMCIAGP-OLZOCXBDSA-N 2 2 298.431 0.489 10 0 CCAELP C[N@@H+]1CCO[C@H](CNC(=O)N2CC[NH+]3CCCC[C@@H]3C2)C1 ZINC000105279202 186049177 /nfs/dbraw/zinc/04/91/77/186049177.db2.gz AFVOBVXSROTRQU-ZIAGYGMSSA-N 2 2 296.415 0.197 10 0 CCAELP C[N@H+]1CCO[C@H](CNC(=O)N2CC[NH+]3CCCC[C@@H]3C2)C1 ZINC000105279202 186049178 /nfs/dbraw/zinc/04/91/78/186049178.db2.gz AFVOBVXSROTRQU-ZIAGYGMSSA-N 2 2 296.415 0.197 10 0 CCAELP C[NH+]1CCO[C@H](CNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)C1 ZINC000105279202 186049179 /nfs/dbraw/zinc/04/91/79/186049179.db2.gz AFVOBVXSROTRQU-ZIAGYGMSSA-N 2 2 296.415 0.197 10 0 CCAELP C[NH+]1CCO[C@H](CNC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)C1 ZINC000105279202 186049181 /nfs/dbraw/zinc/04/91/81/186049181.db2.gz AFVOBVXSROTRQU-ZIAGYGMSSA-N 2 2 296.415 0.197 10 0 CCAELP O=C(N[C@@H]1C[C@H]2C[NH2+][C@@H]1C2)c1ccc2[nH+]ccn2c1 ZINC000168333827 350824263 /nfs/dbraw/zinc/82/42/63/350824263.db2.gz XMDIMVXGPMCIRQ-MVWJERBFSA-N 2 2 256.309 0.815 10 0 CCAELP Cc1ncccc1C(=O)N[C@@H]1C[N@@H+](C)C[C@H]1C[NH+](C)C ZINC000169790635 350840657 /nfs/dbraw/zinc/84/06/57/350840657.db2.gz OLYGMKSLAYBCMI-TZMCWYRMSA-N 2 2 276.384 0.612 10 0 CCAELP Cc1ncccc1C(=O)N[C@@H]1C[N@H+](C)C[C@H]1C[NH+](C)C ZINC000169790635 350840659 /nfs/dbraw/zinc/84/06/59/350840659.db2.gz OLYGMKSLAYBCMI-TZMCWYRMSA-N 2 2 276.384 0.612 10 0 CCAELP C[C@H]1C[N@@H+](C2CC[NH+](CCCCO)CC2)CCO1 ZINC000171064714 350882381 /nfs/dbraw/zinc/88/23/81/350882381.db2.gz UJOYLQPPFSSUNH-ZDUSSCGKSA-N 2 2 256.390 0.944 10 0 CCAELP C[C@H]1C[N@H+](C2CC[NH+](CCCCO)CC2)CCO1 ZINC000171064714 350882387 /nfs/dbraw/zinc/88/23/87/350882387.db2.gz UJOYLQPPFSSUNH-ZDUSSCGKSA-N 2 2 256.390 0.944 10 0 CCAELP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](O)CN1CCCC1=O ZINC000175593236 351135437 /nfs/dbraw/zinc/13/54/37/351135437.db2.gz MVONFLFSFHZKER-QLFBSQMISA-N 2 2 295.427 0.528 10 0 CCAELP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](O)CN1CCCC1=O ZINC000175593236 351135442 /nfs/dbraw/zinc/13/54/42/351135442.db2.gz MVONFLFSFHZKER-QLFBSQMISA-N 2 2 295.427 0.528 10 0 CCAELP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)CN1CCCC1=O ZINC000175593236 351135443 /nfs/dbraw/zinc/13/54/43/351135443.db2.gz MVONFLFSFHZKER-QLFBSQMISA-N 2 2 295.427 0.528 10 0 CCAELP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)CN1CCCC1=O ZINC000175593236 351135447 /nfs/dbraw/zinc/13/54/47/351135447.db2.gz MVONFLFSFHZKER-QLFBSQMISA-N 2 2 295.427 0.528 10 0 CCAELP C[C@H]([NH2+]CC(=O)NC(N)=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000180668466 351290419 /nfs/dbraw/zinc/29/04/19/351290419.db2.gz WVWPBKPQQBNTJX-JTQLQIEISA-N 2 2 287.323 0.718 10 0 CCAELP CC[C@H](C)NC(=O)[C@@H](C)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193649723 351838529 /nfs/dbraw/zinc/83/85/29/351838529.db2.gz FDSZUUWWSKPXTQ-QNWHQSFQSA-N 2 2 253.390 0.783 10 0 CCAELP CC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193649723 351838533 /nfs/dbraw/zinc/83/85/33/351838533.db2.gz FDSZUUWWSKPXTQ-QNWHQSFQSA-N 2 2 253.390 0.783 10 0 CCAELP CC[C@H](C)NC(=O)[C@@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193649723 351838536 /nfs/dbraw/zinc/83/85/36/351838536.db2.gz FDSZUUWWSKPXTQ-QNWHQSFQSA-N 2 2 253.390 0.783 10 0 CCAELP CC[C@H](C)NC(=O)[C@@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193649723 351838539 /nfs/dbraw/zinc/83/85/39/351838539.db2.gz FDSZUUWWSKPXTQ-QNWHQSFQSA-N 2 2 253.390 0.783 10 0 CCAELP CC(=O)NCCC[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000195028587 351893539 /nfs/dbraw/zinc/89/35/39/351893539.db2.gz FOXIKLJWTFYBDN-CYBMUJFWSA-N 2 2 283.416 0.698 10 0 CCAELP CC(=O)NCCC[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000195028587 351893540 /nfs/dbraw/zinc/89/35/40/351893540.db2.gz FOXIKLJWTFYBDN-CYBMUJFWSA-N 2 2 283.416 0.698 10 0 CCAELP COCCCNC(=O)C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000226465434 352028646 /nfs/dbraw/zinc/02/86/46/352028646.db2.gz YVCJGUVNMYVWPZ-GFCCVEGCSA-N 2 2 257.378 0.213 10 0 CCAELP COCCCNC(=O)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000226465434 352028648 /nfs/dbraw/zinc/02/86/48/352028648.db2.gz YVCJGUVNMYVWPZ-GFCCVEGCSA-N 2 2 257.378 0.213 10 0 CCAELP C[C@H]1CC[N@H+](Cc2nc(N)nc(N)n2)C[C@H]1n1cc[nH+]c1 ZINC000245562807 352329848 /nfs/dbraw/zinc/32/98/48/352329848.db2.gz CSJJANCSWUCFJG-VHSXEESVSA-N 2 2 288.359 0.316 10 0 CCAELP C[C@H]1CC[N@@H+](Cc2nc(N)nc(N)n2)C[C@H]1n1cc[nH+]c1 ZINC000245562807 352329853 /nfs/dbraw/zinc/32/98/53/352329853.db2.gz CSJJANCSWUCFJG-VHSXEESVSA-N 2 2 288.359 0.316 10 0 CCAELP C[C@H]1CC[N@H+](CCS(C)(=O)=O)C[C@H]1n1cc[nH+]c1 ZINC000246238483 352356438 /nfs/dbraw/zinc/35/64/38/352356438.db2.gz HLTBESMAWWMEID-NWDGAFQWSA-N 2 2 271.386 0.811 10 0 CCAELP C[C@H]1CC[N@@H+](CCS(C)(=O)=O)C[C@H]1n1cc[nH+]c1 ZINC000246238483 352356440 /nfs/dbraw/zinc/35/64/40/352356440.db2.gz HLTBESMAWWMEID-NWDGAFQWSA-N 2 2 271.386 0.811 10 0 CCAELP O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CC[NH+]2CCC1CC2 ZINC000335037230 354943889 /nfs/dbraw/zinc/94/38/89/354943889.db2.gz HHNXUFNRHKPUJP-JTQLQIEISA-N 2 2 259.300 0.290 10 0 CCAELP C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C2CC[NH2+]CC2)C1 ZINC000038043279 283114157 /nfs/dbraw/zinc/11/41/57/283114157.db2.gz QNLPZKKMNSTFCB-HIFRSBDPSA-N 3 2 294.443 0.271 10 0 CCAELP C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C2CC[NH2+]CC2)C1 ZINC000038043279 283114159 /nfs/dbraw/zinc/11/41/59/283114159.db2.gz QNLPZKKMNSTFCB-HIFRSBDPSA-N 3 2 294.443 0.271 10 0 CCAELP C[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CC[NH2+]CC2)C1 ZINC000038043279 283114164 /nfs/dbraw/zinc/11/41/64/283114164.db2.gz QNLPZKKMNSTFCB-HIFRSBDPSA-N 3 2 294.443 0.271 10 0 CCAELP C[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CC[NH2+]CC2)C1 ZINC000038043279 283114168 /nfs/dbraw/zinc/11/41/68/283114168.db2.gz QNLPZKKMNSTFCB-HIFRSBDPSA-N 3 2 294.443 0.271 10 0 CCAELP Cc1nn(C)c(C)c1C[NH2+]C1CC[NH+](CCO)CC1 ZINC000399127354 357781885 /nfs/dbraw/zinc/78/18/85/357781885.db2.gz LEYMPFISQKIHSJ-UHFFFAOYSA-N 2 2 266.389 0.583 10 0 CCAELP CO[C@@H]1C[N@H+](CCCc2c[nH+]cn2C)[C@](C)(C[NH3+])C1 ZINC000630369620 370070926 /nfs/dbraw/zinc/07/09/26/370070926.db2.gz WZPRJMDZYVEBRN-KBPBESRZSA-N 3 2 266.389 0.791 10 0 CCAELP CO[C@@H]1C[N@@H+](CCCc2c[nH+]cn2C)[C@](C)(C[NH3+])C1 ZINC000630369620 370070933 /nfs/dbraw/zinc/07/09/33/370070933.db2.gz WZPRJMDZYVEBRN-KBPBESRZSA-N 3 2 266.389 0.791 10 0 CCAELP C[C@@H](CNC(=O)N[C@H]1CCC[NH2+][C@H]1C)[NH+]1CCOCC1 ZINC000333931655 205842963 /nfs/dbraw/zinc/84/29/63/205842963.db2.gz GFDUTHFOJVLMBW-AVGNSLFASA-N 2 2 284.404 0.147 10 0 CCAELP [NH3+]CCCCCCC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062976794 388940877 /nfs/dbraw/zinc/94/08/77/388940877.db2.gz ZHBSYJZLTZUOLJ-AWEZNQCLSA-N 2 2 283.416 0.829 10 0 CCAELP CC[C@H](C)NC(=O)[C@H](C)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193649758 389076341 /nfs/dbraw/zinc/07/63/41/389076341.db2.gz FDSZUUWWSKPXTQ-ZDEQEGDKSA-N 2 2 253.390 0.783 10 0 CCAELP CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193649758 389076343 /nfs/dbraw/zinc/07/63/43/389076343.db2.gz FDSZUUWWSKPXTQ-ZDEQEGDKSA-N 2 2 253.390 0.783 10 0 CCAELP CC[C@H](C)NC(=O)[C@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193649758 389076346 /nfs/dbraw/zinc/07/63/46/389076346.db2.gz FDSZUUWWSKPXTQ-ZDEQEGDKSA-N 2 2 253.390 0.783 10 0 CCAELP CC[C@H](C)NC(=O)[C@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193649758 389076348 /nfs/dbraw/zinc/07/63/48/389076348.db2.gz FDSZUUWWSKPXTQ-ZDEQEGDKSA-N 2 2 253.390 0.783 10 0 CCAELP CC(C)[NH2+]C1CCN(C(=O)NC[C@H]2C[N@H+](C)CCO2)CC1 ZINC000111857395 389116504 /nfs/dbraw/zinc/11/65/04/389116504.db2.gz NYMSRXJNVRXHDZ-AWEZNQCLSA-N 2 2 298.431 0.489 10 0 CCAELP CC(C)[NH2+]C1CCN(C(=O)NC[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000111857395 389116506 /nfs/dbraw/zinc/11/65/06/389116506.db2.gz NYMSRXJNVRXHDZ-AWEZNQCLSA-N 2 2 298.431 0.489 10 0 CCAELP Cn1c[nH+]cc1[C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CCO1 ZINC000333003826 389401474 /nfs/dbraw/zinc/40/14/74/389401474.db2.gz LDLZKOBZVNWOPB-OUCADQQQSA-N 2 2 292.383 0.851 10 0 CCAELP Cn1c[nH+]cc1[C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CCO1 ZINC000333003826 389401477 /nfs/dbraw/zinc/40/14/77/389401477.db2.gz LDLZKOBZVNWOPB-OUCADQQQSA-N 2 2 292.383 0.851 10 0 CCAELP CC(C)[C@H](CNC(=O)[C@H]1COCC[NH2+]1)[NH+]1CCC(C)CC1 ZINC000164906128 389437164 /nfs/dbraw/zinc/43/71/64/389437164.db2.gz PMZUNJIRAQLDOA-CABCVRRESA-N 2 2 297.443 0.848 10 0 CCAELP CC[C@H](O)C[NH+]1CCN(Cc2c[nH+]cn2C)CC1 ZINC000177083581 389570224 /nfs/dbraw/zinc/57/02/24/389570224.db2.gz ZKPXVHPQTPNEEH-ZDUSSCGKSA-N 2 2 252.362 0.309 10 0 CCAELP CN(C[C@@H]1CC[N@H+](C)C1)C(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000375431957 389676416 /nfs/dbraw/zinc/67/64/16/389676416.db2.gz VGDJAFQNNXTQQZ-NXEZZACHSA-N 2 2 261.316 0.394 10 0 CCAELP CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000375431957 389676419 /nfs/dbraw/zinc/67/64/19/389676419.db2.gz VGDJAFQNNXTQQZ-NXEZZACHSA-N 2 2 261.316 0.394 10 0 CCAELP C[NH+]1CCN(C(=O)c2ccc([C@@H]3CCC[NH2+]C3)nc2)CC1 ZINC000616575358 397598654 /nfs/dbraw/zinc/59/86/54/397598654.db2.gz JUVDKYYVCLHCJM-CYBMUJFWSA-N 2 2 288.395 0.936 10 0 CCAELP CCC(CC)(C[NH3+])C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000062976552 411688421 /nfs/dbraw/zinc/68/84/21/411688421.db2.gz AJHFROHHABQPBU-CYBMUJFWSA-N 2 2 283.416 0.685 10 0 CCAELP [NH3+][C@H](C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)C1CCC1 ZINC000398953505 411775055 /nfs/dbraw/zinc/77/50/55/411775055.db2.gz GAFSHYCZEWPWPL-OLZOCXBDSA-N 2 2 267.373 0.047 10 0 CCAELP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccc2c(c1)OCO2 ZINC000038031119 174024409 /nfs/dbraw/zinc/02/44/09/174024409.db2.gz MALWMYCELOIQLR-UHFFFAOYSA-N 2 2 291.351 0.279 10 0 CCAELP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccc2c(c1)OCO2 ZINC000038031119 174024410 /nfs/dbraw/zinc/02/44/10/174024410.db2.gz MALWMYCELOIQLR-UHFFFAOYSA-N 2 2 291.351 0.279 10 0 CCAELP O=C(NCc1ccncc1)[C@@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000038042999 174048301 /nfs/dbraw/zinc/04/83/01/174048301.db2.gz TUYWUUPEKQYVGW-HNNXBMFYSA-N 2 2 288.395 0.914 10 0 CCAELP O=C(NCc1ccncc1)[C@@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000038042999 174048304 /nfs/dbraw/zinc/04/83/04/174048304.db2.gz TUYWUUPEKQYVGW-HNNXBMFYSA-N 2 2 288.395 0.914 10 0 CCAELP CCCCN(CCO)C(=O)[C@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000038043312 174049879 /nfs/dbraw/zinc/04/98/79/174049879.db2.gz WZWIAQQSQQNFHB-OAHLLOKOSA-N 2 2 297.443 0.824 10 0 CCAELP CCCCN(CCO)C(=O)[C@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000038043312 174049881 /nfs/dbraw/zinc/04/98/81/174049881.db2.gz WZWIAQQSQQNFHB-OAHLLOKOSA-N 2 2 297.443 0.824 10 0 CCAELP COCCCNC(=O)[C@H](C)[N@H+](CC[NH3+])C1CCCC1 ZINC000070975453 176018022 /nfs/dbraw/zinc/01/80/22/176018022.db2.gz JVBGFURXWIVOGM-LBPRGKRZSA-N 2 2 271.405 0.731 10 0 CCAELP COCCCNC(=O)[C@H](C)[N@@H+](CC[NH3+])C1CCCC1 ZINC000070975453 176018023 /nfs/dbraw/zinc/01/80/23/176018023.db2.gz JVBGFURXWIVOGM-LBPRGKRZSA-N 2 2 271.405 0.731 10 0 CCAELP CC[C@H]1CN(C(=O)c2ccc(C[NH3+])o2)CC[N@@H+]1CCOC ZINC000168062679 544728178 /nfs/dbraw/zinc/72/81/78/544728178.db2.gz TYALXQMVJOUIMZ-LBPRGKRZSA-N 2 2 295.383 0.921 10 0 CCAELP CC[C@H]1CN(C(=O)c2ccc(C[NH3+])o2)CC[N@H+]1CCOC ZINC000168062679 544728181 /nfs/dbraw/zinc/72/81/81/544728181.db2.gz TYALXQMVJOUIMZ-LBPRGKRZSA-N 2 2 295.383 0.921 10 0 CCAELP C[N@@H+]1CCO[C@H](C(=O)N2CCC[NH+](C3CC3)CC2)C1 ZINC000081306592 277125929 /nfs/dbraw/zinc/12/59/29/277125929.db2.gz NKNIMMLXWLCJEH-ZDUSSCGKSA-N 2 2 267.373 0.014 10 0 CCAELP C[N@H+]1CCO[C@H](C(=O)N2CCC[NH+](C3CC3)CC2)C1 ZINC000081306592 277125930 /nfs/dbraw/zinc/12/59/30/277125930.db2.gz NKNIMMLXWLCJEH-ZDUSSCGKSA-N 2 2 267.373 0.014 10 0 CCAELP C[NH+]1CCO[C@H](C(=O)N2CCC[N@@H+](C3CC3)CC2)C1 ZINC000081306592 277125932 /nfs/dbraw/zinc/12/59/32/277125932.db2.gz NKNIMMLXWLCJEH-ZDUSSCGKSA-N 2 2 267.373 0.014 10 0 CCAELP C[NH+]1CCO[C@H](C(=O)N2CCC[N@H+](C3CC3)CC2)C1 ZINC000081306592 277125933 /nfs/dbraw/zinc/12/59/33/277125933.db2.gz NKNIMMLXWLCJEH-ZDUSSCGKSA-N 2 2 267.373 0.014 10 0 CCAELP O=C(Nc1ccc2c(c1F)CC[NH2+]C2)[C@@H]1COCC[NH2+]1 ZINC000261736335 280029798 /nfs/dbraw/zinc/02/97/98/280029798.db2.gz NKFKXLGBCSNVOU-LBPRGKRZSA-N 2 2 279.315 0.398 10 0 CCAELP C[NH+]1C[C@@H]2C[N@H+](C[C@@](C)(O)C(F)(F)F)C[C@@H]2C1 ZINC000375998624 290288334 /nfs/dbraw/zinc/28/83/34/290288334.db2.gz HFGSFEYFCURDTN-KXUCPTDWSA-N 2 2 252.280 0.793 10 0 CCAELP C[N@H+]1C[C@@H]2C[NH+](C[C@@](C)(O)C(F)(F)F)C[C@@H]2C1 ZINC000375998624 290288331 /nfs/dbraw/zinc/28/83/31/290288331.db2.gz HFGSFEYFCURDTN-KXUCPTDWSA-N 2 2 252.280 0.793 10 0 CCAELP C[N@@H+]1C[C@@H]2C[NH+](C[C@@](C)(O)C(F)(F)F)C[C@@H]2C1 ZINC000375998624 290288332 /nfs/dbraw/zinc/28/83/32/290288332.db2.gz HFGSFEYFCURDTN-KXUCPTDWSA-N 2 2 252.280 0.793 10 0 CCAELP C[NH+]1C[C@@H]2C[N@@H+](C[C@@](C)(O)C(F)(F)F)C[C@@H]2C1 ZINC000375998624 290288333 /nfs/dbraw/zinc/28/83/33/290288333.db2.gz HFGSFEYFCURDTN-KXUCPTDWSA-N 2 2 252.280 0.793 10 0 CCAELP CO[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC[N@H+](CCO)C2)C1 ZINC000384554618 545085265 /nfs/dbraw/zinc/08/52/65/545085265.db2.gz IWBFWHRCJCQYEZ-MGPQQGTHSA-N 2 2 256.390 0.990 10 0 CCAELP CO[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC[N@@H+](CCO)C2)C1 ZINC000384554618 545085266 /nfs/dbraw/zinc/08/52/66/545085266.db2.gz IWBFWHRCJCQYEZ-MGPQQGTHSA-N 2 2 256.390 0.990 10 0 CCAELP [NH3+][C@@H](C(=O)N1CC[C@H]([NH+]2CCOCC2)C1)c1ccccc1 ZINC000062976695 295292349 /nfs/dbraw/zinc/29/23/49/295292349.db2.gz YRCQHBZAGZLONQ-LSDHHAIUSA-N 2 2 289.379 0.620 10 0 CCAELP CCC[NH2+][C@@H](CCN1CC[NH+](C)CC1)C(=O)OCC ZINC000062440469 520002053 /nfs/dbraw/zinc/00/20/53/520002053.db2.gz CKZBXONQFFCPKN-ZDUSSCGKSA-N 2 2 271.405 0.555 10 0 CCAELP CC[NH+]1CCC([N@H+](C)CC[C@H]([NH2+]C)C(=O)[O-])CC1 ZINC000062462959 521562337 /nfs/dbraw/zinc/56/23/37/521562337.db2.gz GLMZYQSQIFMDET-LBPRGKRZSA-N 2 2 257.378 0.465 10 0 CCAELP CC[NH+]1CCC([N@@H+](C)CC[C@H]([NH2+]C)C(=O)[O-])CC1 ZINC000062462959 521562341 /nfs/dbraw/zinc/56/23/41/521562341.db2.gz GLMZYQSQIFMDET-LBPRGKRZSA-N 2 2 257.378 0.465 10 0 CCAELP CC[C@@H]1CN(CCn2cc[nH+]c2)CC[N@@H+]1CCOC ZINC000161677891 523444940 /nfs/dbraw/zinc/44/49/40/523444940.db2.gz NBEFEADGVKBFAV-CQSZACIVSA-N 2 2 266.389 0.926 10 0 CCAELP CC[C@@H]1CN(CCn2cc[nH+]c2)CC[N@H+]1CCOC ZINC000161677891 523444945 /nfs/dbraw/zinc/44/49/45/523444945.db2.gz NBEFEADGVKBFAV-CQSZACIVSA-N 2 2 266.389 0.926 10 0 CCAELP O=C(C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1)N1CCOCC1 ZINC000156304965 526806761 /nfs/dbraw/zinc/80/67/61/526806761.db2.gz QCFGIZYCRROAIX-AWEZNQCLSA-N 2 2 291.351 0.394 10 0 CCAELP O=C(C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1)N1CCOCC1 ZINC000156304965 526806766 /nfs/dbraw/zinc/80/67/66/526806766.db2.gz QCFGIZYCRROAIX-AWEZNQCLSA-N 2 2 291.351 0.394 10 0 CCAELP C[N@H+](CCO)[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)[NH2+]C1 ZINC000757134598 581940138 /nfs/dbraw/zinc/94/01/38/581940138.db2.gz OAZABYVOFLMQIM-NWDGAFQWSA-N 2 2 287.404 0.556 10 0 CCAELP C[N@@H+](CCO)[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)[NH2+]C1 ZINC000757134598 581940141 /nfs/dbraw/zinc/94/01/41/581940141.db2.gz OAZABYVOFLMQIM-NWDGAFQWSA-N 2 2 287.404 0.556 10 0 CCAELP C[C@@H]1CC[C@@H](C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)O1 ZINC000119297698 349928489 /nfs/dbraw/zinc/92/84/89/349928489.db2.gz HFBRHJOGPCWEIO-OCCSQVGLSA-N 2 2 283.416 0.696 10 0 CCAELP CC(C)N1C(=O)C[C@@H]([NH2+][C@H](C)CC[NH+](C)C)C1=O ZINC000103341198 185830661 /nfs/dbraw/zinc/83/06/61/185830661.db2.gz CAOFJXRZMFWYBC-GHMZBOCLSA-N 2 2 255.362 0.452 10 0 CCAELP CN(CC1CC1)C(=O)C[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261639195 137013614 /nfs/dbraw/zinc/01/36/14/137013614.db2.gz GCCZGNPJJNCURK-LBPRGKRZSA-N 2 2 253.390 0.914 10 0 CCAELP CN(CC1CC1)C(=O)C[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261639195 137013615 /nfs/dbraw/zinc/01/36/15/137013615.db2.gz GCCZGNPJJNCURK-LBPRGKRZSA-N 2 2 253.390 0.914 10 0 CCAELP C[C@@H](C(=O)N1CCC2(CC[NH2+]C2)CC1)[NH+]1CCOCC1 ZINC000261717842 137016753 /nfs/dbraw/zinc/01/67/53/137016753.db2.gz GSUUAIVYJYEREI-ZDUSSCGKSA-N 2 2 281.400 0.309 10 0 CCAELP CCOC(=O)c1ccc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)o1 ZINC000263306884 137063267 /nfs/dbraw/zinc/06/32/67/137063267.db2.gz XZZSTQSERYUNTN-ONGXEEELSA-N 2 2 268.313 0.126 10 0 CCAELP C[NH2+][C@H](C)C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000054074770 348541297 /nfs/dbraw/zinc/54/12/97/348541297.db2.gz JHMLVAYJDINBTA-GFCCVEGCSA-N 2 2 262.357 0.334 10 0 CCAELP CC[C@H]([NH2+]C[C@@H]1CCCN1c1cc(NC)[nH+]cn1)C(N)=O ZINC000105797894 186071983 /nfs/dbraw/zinc/07/19/83/186071983.db2.gz JZUOQYVVKCYZRJ-QWRGUYRKSA-N 2 2 292.387 0.341 10 0 CCAELP COCC[N@@H+]1CCN(Cc2[nH+]ccn2C)C[C@@H]1C ZINC000105833863 186075171 /nfs/dbraw/zinc/07/51/71/186075171.db2.gz UFPKGUAISYTMSZ-LBPRGKRZSA-N 2 2 252.362 0.573 10 0 CCAELP COCC[N@H+]1CCN(Cc2[nH+]ccn2C)C[C@@H]1C ZINC000105833863 186075173 /nfs/dbraw/zinc/07/51/73/186075173.db2.gz UFPKGUAISYTMSZ-LBPRGKRZSA-N 2 2 252.362 0.573 10 0 CCAELP O[C@@H]1C[NH2+]C[C@H](Oc2ccccc2)[C@@H]1c1c[nH]c[nH+]1 ZINC000147210134 350467991 /nfs/dbraw/zinc/46/79/91/350467991.db2.gz URDVGFOVWHMGHT-HZSPNIEDSA-N 2 2 259.309 0.905 10 0 CCAELP c1cn(CC[N@@H+]2CCCN(c3cccnn3)CC2)c[nH+]1 ZINC000163122305 350760779 /nfs/dbraw/zinc/76/07/79/350760779.db2.gz KYUIZGWQAXAZLM-UHFFFAOYSA-N 2 2 272.356 0.885 10 0 CCAELP c1cn(CC[N@H+]2CCCN(c3cccnn3)CC2)c[nH+]1 ZINC000163122305 350760780 /nfs/dbraw/zinc/76/07/80/350760780.db2.gz KYUIZGWQAXAZLM-UHFFFAOYSA-N 2 2 272.356 0.885 10 0 CCAELP Cn1cc([C@H]2CCC[N@@H+]2CC(=O)N2CC[NH+](C)CC2)cn1 ZINC000180472013 351285403 /nfs/dbraw/zinc/28/54/03/351285403.db2.gz NVRWXMDSGVOJQG-CQSZACIVSA-N 2 2 291.399 0.331 10 0 CCAELP Cn1cc([C@H]2CCC[N@H+]2CC(=O)N2CC[NH+](C)CC2)cn1 ZINC000180472013 351285407 /nfs/dbraw/zinc/28/54/07/351285407.db2.gz NVRWXMDSGVOJQG-CQSZACIVSA-N 2 2 291.399 0.331 10 0 CCAELP C[C@@H]1OCCC[C@H]1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000188937115 351640888 /nfs/dbraw/zinc/64/08/88/351640888.db2.gz QSOCUAJCELYEJL-DZGCQCFKSA-N 2 2 297.443 0.944 10 0 CCAELP Cn1cc(N2CC[C@@H]([N@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)C2=O)cn1 ZINC000193632355 351837236 /nfs/dbraw/zinc/83/72/36/351837236.db2.gz BMUZBZSNIUSAOS-MBNYWOFBSA-N 2 2 289.383 0.019 10 0 CCAELP Cn1cc(N2CC[C@@H]([N@@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)C2=O)cn1 ZINC000193632355 351837240 /nfs/dbraw/zinc/83/72/40/351837240.db2.gz BMUZBZSNIUSAOS-MBNYWOFBSA-N 2 2 289.383 0.019 10 0 CCAELP Cn1cc(N2CC[C@@H]([NH+]3C[C@H]4C[N@@H+](C)C[C@H]4C3)C2=O)cn1 ZINC000193632355 351837243 /nfs/dbraw/zinc/83/72/43/351837243.db2.gz BMUZBZSNIUSAOS-MBNYWOFBSA-N 2 2 289.383 0.019 10 0 CCAELP Cn1cc(N2CC[C@@H]([NH+]3C[C@H]4C[N@H+](C)C[C@H]4C3)C2=O)cn1 ZINC000193632355 351837247 /nfs/dbraw/zinc/83/72/47/351837247.db2.gz BMUZBZSNIUSAOS-MBNYWOFBSA-N 2 2 289.383 0.019 10 0 CCAELP CCC[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000236957208 352231369 /nfs/dbraw/zinc/23/13/69/352231369.db2.gz OTYGBNUFOOGAAK-VXGBXAGGSA-N 2 2 255.362 0.093 10 0 CCAELP CCC[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000236957208 352231374 /nfs/dbraw/zinc/23/13/74/352231374.db2.gz OTYGBNUFOOGAAK-VXGBXAGGSA-N 2 2 255.362 0.093 10 0 CCAELP C[NH+]1CCN(C(=O)C[N@@H+]2CCO[C@H]3CCCC[C@H]32)CC1 ZINC000245687586 352334150 /nfs/dbraw/zinc/33/41/50/352334150.db2.gz VJBHNMYMSOHSNE-KGLIPLIRSA-N 2 2 281.400 0.404 10 0 CCAELP C[NH+]1CCN(C(=O)C[N@H+]2CCO[C@H]3CCCC[C@H]32)CC1 ZINC000245687586 352334154 /nfs/dbraw/zinc/33/41/54/352334154.db2.gz VJBHNMYMSOHSNE-KGLIPLIRSA-N 2 2 281.400 0.404 10 0 CCAELP CC[C@@H]1CN(Cc2c[nH+]c[nH]2)CC[N@@H+]1C[C@H](C)O ZINC000245756961 352337514 /nfs/dbraw/zinc/33/75/14/352337514.db2.gz OVVIWZQYZGFSGX-WCQYABFASA-N 2 2 252.362 0.687 10 0 CCAELP CC[C@@H]1CN(Cc2c[nH+]c[nH]2)CC[N@H+]1C[C@H](C)O ZINC000245756961 352337517 /nfs/dbraw/zinc/33/75/17/352337517.db2.gz OVVIWZQYZGFSGX-WCQYABFASA-N 2 2 252.362 0.687 10 0 CCAELP C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333788402 354794021 /nfs/dbraw/zinc/79/40/21/354794021.db2.gz MBYGNODHIPCENN-STQMWFEESA-N 2 2 284.404 0.148 10 0 CCAELP C[C@@H](CNC(=O)C1([NH3+])CCCC1)[NH+]1CCOCC1 ZINC000237523390 295943902 /nfs/dbraw/zinc/94/39/02/295943902.db2.gz DOHMESVZSZMLOL-NSHDSACASA-N 2 2 255.362 0.095 10 0 CCAELP [NH3+]CC[N@@H+]1CCOC[C@@H](c2cccc(CCO)c2)C1 ZINC000616598162 365379832 /nfs/dbraw/zinc/37/98/32/365379832.db2.gz PEPHPTSWNDDQRP-HNNXBMFYSA-N 2 2 264.369 0.596 10 0 CCAELP [NH3+]CC[N@H+]1CCOC[C@@H](c2cccc(CCO)c2)C1 ZINC000616598162 365379837 /nfs/dbraw/zinc/37/98/37/365379837.db2.gz PEPHPTSWNDDQRP-HNNXBMFYSA-N 2 2 264.369 0.596 10 0 CCAELP CO[C@@H]1C[N@H+](CCOC[C@@H]2CCCO2)[C@](C)(C[NH3+])C1 ZINC000630365644 370066819 /nfs/dbraw/zinc/06/68/19/370066819.db2.gz RUXYZCNUBWLNFO-IHRRRGAJSA-N 2 2 272.389 0.620 10 0 CCAELP CO[C@@H]1C[N@@H+](CCOC[C@@H]2CCCO2)[C@](C)(C[NH3+])C1 ZINC000630365644 370066822 /nfs/dbraw/zinc/06/68/22/370066822.db2.gz RUXYZCNUBWLNFO-IHRRRGAJSA-N 2 2 272.389 0.620 10 0 CCAELP COC(=O)[C@H](C)[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245444031 284261639 /nfs/dbraw/zinc/26/16/39/284261639.db2.gz XRJPBHLTWUIKHI-UONOGXRCSA-N 2 2 283.416 0.650 10 0 CCAELP COC(=O)[C@H](C)[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245444031 284261640 /nfs/dbraw/zinc/26/16/40/284261640.db2.gz XRJPBHLTWUIKHI-UONOGXRCSA-N 2 2 283.416 0.650 10 0 CCAELP O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000262457421 284292223 /nfs/dbraw/zinc/29/22/23/284292223.db2.gz FLFPZBIHOOIKHC-NEPJUHHUSA-N 2 2 272.308 0.738 10 0 CCAELP C[C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C[C@@H]1[NH3+] ZINC000333302625 205199334 /nfs/dbraw/zinc/19/93/34/205199334.db2.gz QHUDAKGZMQBMPF-XBFCOCLRSA-N 2 2 281.400 0.293 10 0 CCAELP C[C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C[C@@H]1[NH3+] ZINC000333302625 205199337 /nfs/dbraw/zinc/19/93/37/205199337.db2.gz QHUDAKGZMQBMPF-XBFCOCLRSA-N 2 2 281.400 0.293 10 0 CCAELP C[C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C[C@H]1[NH3+] ZINC000333302622 205200540 /nfs/dbraw/zinc/20/05/40/205200540.db2.gz QHUDAKGZMQBMPF-BNOWGMLFSA-N 2 2 281.400 0.293 10 0 CCAELP C[C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C[C@H]1[NH3+] ZINC000333302622 205200545 /nfs/dbraw/zinc/20/05/45/205200545.db2.gz QHUDAKGZMQBMPF-BNOWGMLFSA-N 2 2 281.400 0.293 10 0 CCAELP OC[C@@H]1CCCN1c1cc(N[C@H]2CCC[NH2+]C2)nc[nH+]1 ZINC000333499393 205378371 /nfs/dbraw/zinc/37/83/71/205378371.db2.gz HQKJAPBDRCJPGC-RYUDHWBXSA-N 2 2 277.372 0.602 10 0 CCAELP C[C@@H]1CN(S(=O)(=O)CCn2cc[nH+]c2)C[C@H]1[NH+](C)C ZINC000641378404 377051706 /nfs/dbraw/zinc/05/17/06/377051706.db2.gz QYJDKJBNQKVSMK-VXGBXAGGSA-N 2 2 286.401 0.095 10 0 CCAELP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC(=O)N[C@H]2C)C[N@@H+]1C1CC1 ZINC000392929621 285206636 /nfs/dbraw/zinc/20/66/36/285206636.db2.gz JNEYXWPJVWQZKW-XZUYRWCXSA-N 2 2 251.374 0.868 10 0 CCAELP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC(=O)N[C@H]2C)C[N@H+]1C1CC1 ZINC000392929621 285206638 /nfs/dbraw/zinc/20/66/38/285206638.db2.gz JNEYXWPJVWQZKW-XZUYRWCXSA-N 2 2 251.374 0.868 10 0 CCAELP C[N@@H+]1CCO[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)C[C@@H]21 ZINC000284384250 388776330 /nfs/dbraw/zinc/77/63/30/388776330.db2.gz GGSFQHZZCNXLTI-QWHCGFSZSA-N 2 2 278.356 0.205 10 0 CCAELP C[N@H+]1CCO[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)C[C@@H]21 ZINC000284384250 388776335 /nfs/dbraw/zinc/77/63/35/388776335.db2.gz GGSFQHZZCNXLTI-QWHCGFSZSA-N 2 2 278.356 0.205 10 0 CCAELP CCOCC[N@@H+]1CCN(Cc2[nH+]ccn2C)C[C@H]1C ZINC000247438956 389239588 /nfs/dbraw/zinc/23/95/88/389239588.db2.gz ZRLHWQQKXUAXRA-CYBMUJFWSA-N 2 2 266.389 0.963 10 0 CCAELP CCOCC[N@H+]1CCN(Cc2[nH+]ccn2C)C[C@H]1C ZINC000247438956 389239590 /nfs/dbraw/zinc/23/95/90/389239590.db2.gz ZRLHWQQKXUAXRA-CYBMUJFWSA-N 2 2 266.389 0.963 10 0 CCAELP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)N[C@H]1CC[NH2+]C1)C2 ZINC000333676002 389439709 /nfs/dbraw/zinc/43/97/09/389439709.db2.gz NYCNGLQVLFDAKO-NSHDSACASA-N 2 2 291.399 0.973 10 0 CCAELP CC[C@@H](O)C[NH+]1CCN(Cc2c[nH+]cn2C)CC1 ZINC000177083594 389570698 /nfs/dbraw/zinc/57/06/98/389570698.db2.gz ZKPXVHPQTPNEEH-CYBMUJFWSA-N 2 2 252.362 0.309 10 0 CCAELP C[C@@H](C[NH+]1CCOCC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000180624138 389672865 /nfs/dbraw/zinc/67/28/65/389672865.db2.gz HOIYBVQYTXVPEV-UONOGXRCSA-N 2 2 253.390 0.487 10 0 CCAELP C[C@@H](C[NH+]1CCOCC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000180624138 389672869 /nfs/dbraw/zinc/67/28/69/389672869.db2.gz HOIYBVQYTXVPEV-UONOGXRCSA-N 2 2 253.390 0.487 10 0 CCAELP CCCCn1nnnc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000389022383 389771058 /nfs/dbraw/zinc/77/10/58/389771058.db2.gz ZRUKXQYWSGMPSL-TUAOUCFPSA-N 2 2 264.377 0.642 10 0 CCAELP CCCCn1nnnc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000389022383 389771062 /nfs/dbraw/zinc/77/10/62/389771062.db2.gz ZRUKXQYWSGMPSL-TUAOUCFPSA-N 2 2 264.377 0.642 10 0 CCAELP COC[C@]1(C(=O)NCCCn2cc[nH+]c2)CCC[NH2+]1 ZINC000649276296 390544278 /nfs/dbraw/zinc/54/42/78/390544278.db2.gz JOKOHLKEXICTLB-ZDUSSCGKSA-N 2 2 266.345 0.158 10 0 CCAELP O=C(Nc1cccc(-c2[nH]cc[nH+]2)c1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000262519547 131228677 /nfs/dbraw/zinc/22/86/77/131228677.db2.gz NPMMBVWXZXQSCQ-RYUDHWBXSA-N 2 2 272.308 0.738 10 0 CCAELP O=C(NCC1C[NH2+]C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000261965067 143930290 /nfs/dbraw/zinc/93/02/90/143930290.db2.gz SLRODJOCJCADCM-UHFFFAOYSA-N 2 2 256.309 0.822 10 0 CCAELP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1c1cnn(C)c1 ZINC000382414208 397490925 /nfs/dbraw/zinc/49/09/25/397490925.db2.gz HBCNONXEDJRBAH-UONOGXRCSA-N 2 2 266.389 0.870 10 0 CCAELP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1c1cnn(C)c1 ZINC000382414208 397490927 /nfs/dbraw/zinc/49/09/27/397490927.db2.gz HBCNONXEDJRBAH-UONOGXRCSA-N 2 2 266.389 0.870 10 0 CCAELP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000382414208 397490930 /nfs/dbraw/zinc/49/09/30/397490930.db2.gz HBCNONXEDJRBAH-UONOGXRCSA-N 2 2 266.389 0.870 10 0 CCAELP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000382414208 397490932 /nfs/dbraw/zinc/49/09/32/397490932.db2.gz HBCNONXEDJRBAH-UONOGXRCSA-N 2 2 266.389 0.870 10 0 CCAELP CCn1ccnc1CN1CC[NH+](CCC[NH3+])CC1 ZINC000649414800 397608996 /nfs/dbraw/zinc/60/89/96/397608996.db2.gz YRGKFGSQCOJOJM-UHFFFAOYSA-N 2 2 251.378 0.369 10 0 CCAELP C[C@@H](CNC(=O)[C@@H]1CSC[NH2+]1)[NH+]1CCCCC1 ZINC000038029410 174020739 /nfs/dbraw/zinc/02/07/39/174020739.db2.gz QQYFNLWASYBBEK-QWRGUYRKSA-N 2 2 257.403 0.640 10 0 CCAELP O=C(NCc1cccnc1)[C@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000038042998 174048567 /nfs/dbraw/zinc/04/85/67/174048567.db2.gz NJRGAMGYQSJAIA-OAHLLOKOSA-N 2 2 288.395 0.914 10 0 CCAELP O=C(NCc1cccnc1)[C@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000038042998 174048568 /nfs/dbraw/zinc/04/85/68/174048568.db2.gz NJRGAMGYQSJAIA-OAHLLOKOSA-N 2 2 288.395 0.914 10 0 CCAELP Cc1noc(CNC(=O)[C@H]2CCC[N@@H+]2C2CC[NH2+]CC2)n1 ZINC000038043372 174050221 /nfs/dbraw/zinc/05/02/21/174050221.db2.gz SWNBVFQZFCTDPI-GFCCVEGCSA-N 2 2 293.371 0.211 10 0 CCAELP Cc1noc(CNC(=O)[C@H]2CCC[N@H+]2C2CC[NH2+]CC2)n1 ZINC000038043372 174050223 /nfs/dbraw/zinc/05/02/23/174050223.db2.gz SWNBVFQZFCTDPI-GFCCVEGCSA-N 2 2 293.371 0.211 10 0 CCAELP Nc1c(NCC[NH+]2CCOCC2)nc[nH+]c1N1CCCC1 ZINC000040724550 174386422 /nfs/dbraw/zinc/38/64/22/174386422.db2.gz HAQGIAQMHRICGF-UHFFFAOYSA-N 2 2 292.387 0.403 10 0 CCAELP O=C(CC[C@H]1CC[NH2+]C1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000134562867 544631035 /nfs/dbraw/zinc/63/10/35/544631035.db2.gz JPGOYBVGELBIDM-UONOGXRCSA-N 2 2 281.400 0.309 10 0 CCAELP COc1cc[nH+]c(Cn2cc(C(C)(C)[NH3+])nn2)c1OC ZINC000232198830 544862959 /nfs/dbraw/zinc/86/29/59/544862959.db2.gz BCGMWGNQRTWLSV-UHFFFAOYSA-N 2 2 277.328 0.932 10 0 CCAELP CC1(C)CN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC[C@@H]1[NH3+] ZINC000335971486 276125049 /nfs/dbraw/zinc/12/50/49/276125049.db2.gz YGBINOICWZDRMJ-IUCAKERBSA-N 2 2 261.316 0.569 10 0 CCAELP CCC[C@](C)([NH3+])C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062976871 276291752 /nfs/dbraw/zinc/29/17/52/276291752.db2.gz ZSLZLPBQKRSSEA-JSGCOSHPSA-N 2 2 269.389 0.437 10 0 CCAELP COCC[N@@H+]1CCN(CC[NH+]2CCO[C@H](C)C2)C[C@H]1C ZINC000191484129 277225278 /nfs/dbraw/zinc/22/52/78/277225278.db2.gz WXDXUBYCDHTSAP-HUUCEWRRSA-N 2 2 285.432 0.360 10 0 CCAELP COCC[N@H+]1CCN(CC[NH+]2CCO[C@H](C)C2)C[C@H]1C ZINC000191484129 277225279 /nfs/dbraw/zinc/22/52/79/277225279.db2.gz WXDXUBYCDHTSAP-HUUCEWRRSA-N 2 2 285.432 0.360 10 0 CCAELP COCC[NH+]1CCN(CC[N@@H+]2CCO[C@H](C)C2)C[C@H]1C ZINC000191484129 277225280 /nfs/dbraw/zinc/22/52/80/277225280.db2.gz WXDXUBYCDHTSAP-HUUCEWRRSA-N 2 2 285.432 0.360 10 0 CCAELP COCC[NH+]1CCN(CC[N@H+]2CCO[C@H](C)C2)C[C@H]1C ZINC000191484129 277225281 /nfs/dbraw/zinc/22/52/81/277225281.db2.gz WXDXUBYCDHTSAP-HUUCEWRRSA-N 2 2 285.432 0.360 10 0 CCAELP O=C(C[C@@H]1CCC[NH2+]1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000062976742 279789115 /nfs/dbraw/zinc/78/91/15/279789115.db2.gz BYXPKTNPTCACEK-QWHCGFSZSA-N 2 2 267.373 0.062 10 0 CCAELP C[NH+]1CCN(C(=O)C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)CC1 ZINC000245687587 290011837 /nfs/dbraw/zinc/01/18/37/290011837.db2.gz VJBHNMYMSOHSNE-ZIAGYGMSSA-N 2 2 281.400 0.404 10 0 CCAELP C[NH+]1CCN(C(=O)C[N@H+]2CCO[C@@H]3CCCC[C@H]32)CC1 ZINC000245687587 290011838 /nfs/dbraw/zinc/01/18/38/290011838.db2.gz VJBHNMYMSOHSNE-ZIAGYGMSSA-N 2 2 281.400 0.404 10 0 CCAELP C[N@H+]1C[C@@H]2C[NH+]([C@H](C(N)=O)c3ccccc3)C[C@@H]2C1 ZINC000193618817 290289100 /nfs/dbraw/zinc/28/91/00/290289100.db2.gz YDVMVIJIMDYQGQ-MJBXVCDLSA-N 2 2 259.353 0.706 10 0 CCAELP C[N@@H+]1C[C@@H]2C[NH+]([C@H](C(N)=O)c3ccccc3)C[C@@H]2C1 ZINC000193618817 290289103 /nfs/dbraw/zinc/28/91/03/290289103.db2.gz YDVMVIJIMDYQGQ-MJBXVCDLSA-N 2 2 259.353 0.706 10 0 CCAELP C[NH+]1C[C@@H]2C[N@H+]([C@H](C(N)=O)c3ccccc3)C[C@@H]2C1 ZINC000193618817 290289104 /nfs/dbraw/zinc/28/91/04/290289104.db2.gz YDVMVIJIMDYQGQ-MJBXVCDLSA-N 2 2 259.353 0.706 10 0 CCAELP C[NH+]1C[C@@H]2C[N@@H+]([C@H](C(N)=O)c3ccccc3)C[C@@H]2C1 ZINC000193618817 290289105 /nfs/dbraw/zinc/28/91/05/290289105.db2.gz YDVMVIJIMDYQGQ-MJBXVCDLSA-N 2 2 259.353 0.706 10 0 CCAELP CCn1cc[nH+]c1CN1C(=O)N[C@@]2(CCC[NH2+]C2)C1=O ZINC000566182995 334632953 /nfs/dbraw/zinc/63/29/53/334632953.db2.gz NNDBWANKQMVIFW-CYBMUJFWSA-N 2 2 277.328 0.077 10 0 CCAELP C[C@@H](C[NH3+])C[N@@H+]1CCCN(c2[nH+]ccn2C)CC1 ZINC000050605364 524582395 /nfs/dbraw/zinc/58/23/95/524582395.db2.gz JUTQTHRDNKEVRN-LBPRGKRZSA-N 3 2 251.378 0.527 10 0 CCAELP C[C@@H](C[NH3+])C[N@H+]1CCCN(c2[nH+]ccn2C)CC1 ZINC000050605364 524582405 /nfs/dbraw/zinc/58/24/05/524582405.db2.gz JUTQTHRDNKEVRN-LBPRGKRZSA-N 3 2 251.378 0.527 10 0 CCAELP C[C@@H](C[NH+]1CCCCC1)[NH2+]CCN1CCNC1=O ZINC000049501891 524604403 /nfs/dbraw/zinc/60/44/03/524604403.db2.gz OSTYNIYTXOYLBL-LBPRGKRZSA-N 2 2 254.378 0.476 10 0 CCAELP COC(=O)[C@@H]1C[N@H+](C[C@H](O)C[NH+](C)C2CC2)C[C@@H]1C ZINC000312070935 625362160 /nfs/dbraw/zinc/36/21/60/625362160.db2.gz NNXIHGBNAIKJJP-CYZMBNFOSA-N 2 2 270.373 0.182 10 0 CCAELP COC(=O)[C@@H]1C[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C[C@@H]1C ZINC000312070935 625362161 /nfs/dbraw/zinc/36/21/61/625362161.db2.gz NNXIHGBNAIKJJP-CYZMBNFOSA-N 2 2 270.373 0.182 10 0 CCAELP COC(=O)[C@@H]1C[NH+](C[C@H](O)C[N@H+](C)C2CC2)C[C@@H]1C ZINC000312070935 625362164 /nfs/dbraw/zinc/36/21/64/625362164.db2.gz NNXIHGBNAIKJJP-CYZMBNFOSA-N 2 2 270.373 0.182 10 0 CCAELP COC(=O)[C@@H]1C[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C[C@@H]1C ZINC000312070935 625362167 /nfs/dbraw/zinc/36/21/67/625362167.db2.gz NNXIHGBNAIKJJP-CYZMBNFOSA-N 2 2 270.373 0.182 10 0 CCAELP COC[C@@H]([NH3+])C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000167757605 636974184 /nfs/dbraw/zinc/97/41/84/636974184.db2.gz PYNVCMCNUIPCPS-GHMZBOCLSA-N 2 2 268.361 0.388 10 0 CCAELP NC(=O)COc1ccc(C[N@@H+]2CCC[C@H]2C[NH3+])cc1 ZINC000131385180 647505917 /nfs/dbraw/zinc/50/59/17/647505917.db2.gz VTPACVRPDBIPIF-LBPRGKRZSA-N 2 2 263.341 0.474 10 0 CCAELP NC(=O)COc1ccc(C[N@H+]2CCC[C@H]2C[NH3+])cc1 ZINC000131385180 647505921 /nfs/dbraw/zinc/50/59/21/647505921.db2.gz VTPACVRPDBIPIF-LBPRGKRZSA-N 2 2 263.341 0.474 10 0 CCAELP C[N@@H+]1CCO[C@H](CNC(=O)CC[C@H]([NH3+])c2ccccc2)C1 ZINC000091669303 349472931 /nfs/dbraw/zinc/47/29/31/349472931.db2.gz SCNQCPPHKBVGOD-CABCVRRESA-N 2 2 291.395 0.913 10 0 CCAELP C[N@H+]1CCO[C@H](CNC(=O)CC[C@H]([NH3+])c2ccccc2)C1 ZINC000091669303 349472933 /nfs/dbraw/zinc/47/29/33/349472933.db2.gz SCNQCPPHKBVGOD-CABCVRRESA-N 2 2 291.395 0.913 10 0 CCAELP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000094647592 349571026 /nfs/dbraw/zinc/57/10/26/349571026.db2.gz SARHEWVUUZMBOJ-YNEHKIRRSA-N 2 2 269.389 0.211 10 0 CCAELP O=C([C@@H]1COCC[NH2+]1)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000361729343 232209925 /nfs/dbraw/zinc/20/99/25/232209925.db2.gz RKKPSUZMRRGENA-KGLIPLIRSA-N 2 2 281.400 0.452 10 0 CCAELP C[N@@H+]1CCO[C@H]2CN(C(=O)C[C@@H]3CCC[C@H]3[NH3+])C[C@H]21 ZINC000261803821 290117168 /nfs/dbraw/zinc/11/71/68/290117168.db2.gz MTUHBMORFXFGMF-LOWDOPEQSA-N 2 2 267.373 0.045 10 0 CCAELP C[N@H+]1CCO[C@H]2CN(C(=O)C[C@@H]3CCC[C@H]3[NH3+])C[C@H]21 ZINC000261803821 290117172 /nfs/dbraw/zinc/11/71/72/290117172.db2.gz MTUHBMORFXFGMF-LOWDOPEQSA-N 2 2 267.373 0.045 10 0 CCAELP COCCC(=O)N1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261875321 137023611 /nfs/dbraw/zinc/02/36/11/137023611.db2.gz PVBKRQWAMZFGKF-AWEZNQCLSA-N 2 2 269.389 0.167 10 0 CCAELP Cn1c(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)nc2ccc(Cl)cc21 ZINC000263308165 137063816 /nfs/dbraw/zinc/06/38/16/137063816.db2.gz YEVLCIHUGAZSOD-ZANVPECISA-N 2 2 294.786 0.897 10 0 CCAELP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1nccn1Cc1ccccc1 ZINC000263199712 137059898 /nfs/dbraw/zinc/05/98/98/137059898.db2.gz IVKOSNQYUQHGQB-CABCVRRESA-N 2 2 286.379 0.601 10 0 CCAELP O[C@H]1C[NH2+]C[C@@H]1CNCc1[nH+]ccn1Cc1ccccc1 ZINC000263199712 137059899 /nfs/dbraw/zinc/05/98/99/137059899.db2.gz IVKOSNQYUQHGQB-CABCVRRESA-N 2 2 286.379 0.601 10 0 CCAELP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000263201394 137059979 /nfs/dbraw/zinc/05/99/79/137059979.db2.gz JBORQYWVGAXWFV-SKDRFNHKSA-N 2 2 280.759 0.658 10 0 CCAELP O=C([C@@H]1COCC[NH2+]1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000088357611 349361055 /nfs/dbraw/zinc/36/10/55/349361055.db2.gz QHNNYZCKQCECMZ-HNNXBMFYSA-N 2 2 289.379 0.319 10 0 CCAELP CC(C)Oc1cncc(N2CC[N@H+](C)C[C@@H]2C[NH3+])n1 ZINC000122807083 350070146 /nfs/dbraw/zinc/07/01/46/350070146.db2.gz RKVGPXOCNLYMTK-NSHDSACASA-N 2 2 265.361 0.343 10 0 CCAELP CC(C)Oc1cncc(N2CC[N@@H+](C)C[C@@H]2C[NH3+])n1 ZINC000122807083 350070149 /nfs/dbraw/zinc/07/01/49/350070149.db2.gz RKVGPXOCNLYMTK-NSHDSACASA-N 2 2 265.361 0.343 10 0 CCAELP C[C@H](CNC(=O)N1CC[NH+](C2CC2)CC1)[NH+]1CCOCC1 ZINC000105124488 186043030 /nfs/dbraw/zinc/04/30/30/186043030.db2.gz LVZRQUSSYRNKOP-CYBMUJFWSA-N 2 2 296.415 0.197 10 0 CCAELP CCC[NH+]1CCC(NC(=O)NC[C@H]2C[N@H+](C)CCO2)CC1 ZINC000107327326 186169594 /nfs/dbraw/zinc/16/95/94/186169594.db2.gz KUYWVAFGWPBSDH-AWEZNQCLSA-N 2 2 298.431 0.491 10 0 CCAELP CCC[NH+]1CCC(NC(=O)NC[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000107327326 186169596 /nfs/dbraw/zinc/16/95/96/186169596.db2.gz KUYWVAFGWPBSDH-AWEZNQCLSA-N 2 2 298.431 0.491 10 0 CCAELP C(CN1CCC[N@@H+](C2CC2)CC1)C[NH+]1CCOCC1 ZINC000173587681 351046672 /nfs/dbraw/zinc/04/66/72/351046672.db2.gz XGQRGTIHOZDUGK-UHFFFAOYSA-N 2 2 267.417 0.879 10 0 CCAELP C(CN1CCC[N@H+](C2CC2)CC1)C[NH+]1CCOCC1 ZINC000173587681 351046674 /nfs/dbraw/zinc/04/66/74/351046674.db2.gz XGQRGTIHOZDUGK-UHFFFAOYSA-N 2 2 267.417 0.879 10 0 CCAELP C[C@@H]1CN(C(=O)C2([NH3+])CCCC2)C[C@H]1[NH+]1CCOCC1 ZINC000178860903 351249718 /nfs/dbraw/zinc/24/97/18/351249718.db2.gz OWMVTSAXTISROT-CHWSQXEVSA-N 2 2 281.400 0.437 10 0 CCAELP CCOCC[NH+]1CCN(C(=O)[C@@]2(C)CCCC[NH2+]2)CC1 ZINC000180984332 351296963 /nfs/dbraw/zinc/29/69/63/351296963.db2.gz BTPJLUFDVAKKMX-OAHLLOKOSA-N 2 2 283.416 0.699 10 0 CCAELP C[C@H](C(=O)N1CCCCC1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193620642 351836081 /nfs/dbraw/zinc/83/60/81/351836081.db2.gz RDAJBNPXNPLOEC-MCIONIFRSA-N 2 2 265.401 0.881 10 0 CCAELP C[C@H](C(=O)N1CCCCC1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193620642 351836083 /nfs/dbraw/zinc/83/60/83/351836083.db2.gz RDAJBNPXNPLOEC-MCIONIFRSA-N 2 2 265.401 0.881 10 0 CCAELP C[C@H](C(=O)N1CCCCC1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193620642 351836085 /nfs/dbraw/zinc/83/60/85/351836085.db2.gz RDAJBNPXNPLOEC-MCIONIFRSA-N 2 2 265.401 0.881 10 0 CCAELP C[C@H](C(=O)N1CCCCC1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193620642 351836087 /nfs/dbraw/zinc/83/60/87/351836087.db2.gz RDAJBNPXNPLOEC-MCIONIFRSA-N 2 2 265.401 0.881 10 0 CCAELP CC[N@@H+]1CCc2nc(NC(=O)[C@H]3COCC[NH2+]3)sc2C1 ZINC000236829137 352219998 /nfs/dbraw/zinc/21/99/98/352219998.db2.gz JDUATYRHXKUBEC-SNVBAGLBSA-N 2 2 296.396 0.448 10 0 CCAELP CC[N@H+]1CCc2nc(NC(=O)[C@H]3COCC[NH2+]3)sc2C1 ZINC000236829137 352220000 /nfs/dbraw/zinc/22/00/00/352220000.db2.gz JDUATYRHXKUBEC-SNVBAGLBSA-N 2 2 296.396 0.448 10 0 CCAELP COCC[N@@H+]1CCN([C@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC000246147750 352350216 /nfs/dbraw/zinc/35/02/16/352350216.db2.gz SPROGRPFVNCDLW-HUUCEWRRSA-N 2 2 285.432 0.360 10 0 CCAELP COCC[N@H+]1CCN([C@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC000246147750 352350218 /nfs/dbraw/zinc/35/02/18/352350218.db2.gz SPROGRPFVNCDLW-HUUCEWRRSA-N 2 2 285.432 0.360 10 0 CCAELP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3nnnn3CC2)C[N@@H+]1C1CC1 ZINC000333812570 354798808 /nfs/dbraw/zinc/79/88/08/354798808.db2.gz FWEDBWIJHNHITQ-IJLUTSLNSA-N 2 2 276.388 0.593 10 0 CCAELP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3nnnn3CC2)C[N@H+]1C1CC1 ZINC000333812570 354798811 /nfs/dbraw/zinc/79/88/11/354798811.db2.gz FWEDBWIJHNHITQ-IJLUTSLNSA-N 2 2 276.388 0.593 10 0 CCAELP CC(C)c1nc(N2C[C@H](O)[C@@H]([NH+](C)C)C2)cc[nH+]1 ZINC000365809858 357174304 /nfs/dbraw/zinc/17/43/04/357174304.db2.gz MTXKBJAPHWDEAW-QWRGUYRKSA-N 2 2 250.346 0.711 10 0 CCAELP C[N@H+](CC1(CS(C)(=O)=O)CC1)[C@H]1CCC[NH2+]CC1 ZINC000563150742 291199697 /nfs/dbraw/zinc/19/96/97/291199697.db2.gz XGNDCARGFKUAOL-LBPRGKRZSA-N 2 2 274.430 0.885 10 0 CCAELP C[N@@H+](CC1(CS(C)(=O)=O)CC1)[C@H]1CCC[NH2+]CC1 ZINC000563150742 291199699 /nfs/dbraw/zinc/19/96/99/291199699.db2.gz XGNDCARGFKUAOL-LBPRGKRZSA-N 2 2 274.430 0.885 10 0 CCAELP C[C@H](C(=O)NCC(F)(F)F)[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631837312 370702155 /nfs/dbraw/zinc/70/21/55/370702155.db2.gz AJNQIFBSCJHRGC-HLTSFMKQSA-N 2 2 267.295 0.580 10 0 CCAELP C[C@H](C(=O)NCC(F)(F)F)[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631837312 370702158 /nfs/dbraw/zinc/70/21/58/370702158.db2.gz AJNQIFBSCJHRGC-HLTSFMKQSA-N 2 2 267.295 0.580 10 0 CCAELP O[C@H]1COCC[C@@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000624236953 367800005 /nfs/dbraw/zinc/80/00/05/367800005.db2.gz NGCROFWBJZOKSQ-KBPBESRZSA-N 2 2 277.368 0.790 10 0 CCAELP COCCC1(C(=O)N(C)Cc2[nH]cc[nH+]2)CC[NH2+]CC1 ZINC000639016850 375520811 /nfs/dbraw/zinc/52/08/11/375520811.db2.gz OKUFCUNYQTYUPK-UHFFFAOYSA-N 2 2 280.372 0.774 10 0 CCAELP [NH3+]C1(C(=O)N=c2ccn([C@@H]3CC[NH2+]C3)[nH]2)CCCCC1 ZINC000515124407 249121386 /nfs/dbraw/zinc/12/13/86/249121386.db2.gz AXCXDKXGMHAAJO-LLVKDONJSA-N 2 2 277.372 0.440 10 0 CCAELP OCC[NH+]1CCC([NH2+]Cc2cnc3n2CCC3)CC1 ZINC000657350414 412969176 /nfs/dbraw/zinc/96/91/76/412969176.db2.gz DBPIMHYBVCFKJT-UHFFFAOYSA-N 2 2 264.373 0.376 10 0 CCAELP NC(=O)c1c[nH+]ccc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000302017922 389062541 /nfs/dbraw/zinc/06/25/41/389062541.db2.gz GLHSTRSAIAGNDI-LLVKDONJSA-N 2 2 260.341 0.855 10 0 CCAELP NC(=O)c1c[nH+]ccc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000302017922 389062544 /nfs/dbraw/zinc/06/25/44/389062544.db2.gz GLHSTRSAIAGNDI-LLVKDONJSA-N 2 2 260.341 0.855 10 0 CCAELP C[N@H+]1C[C@@H]2C[NH+]([C@@H]3CCN(CC(F)(F)F)C3=O)C[C@@H]2C1 ZINC000193623491 389075827 /nfs/dbraw/zinc/07/58/27/389075827.db2.gz UYNSBMDYOYIGLV-OUAUKWLOSA-N 2 2 291.317 0.643 10 0 CCAELP C[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCN(CC(F)(F)F)C3=O)C[C@@H]2C1 ZINC000193623491 389075831 /nfs/dbraw/zinc/07/58/31/389075831.db2.gz UYNSBMDYOYIGLV-OUAUKWLOSA-N 2 2 291.317 0.643 10 0 CCAELP C[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCN(CC(F)(F)F)C3=O)C[C@@H]2C1 ZINC000193623491 389075833 /nfs/dbraw/zinc/07/58/33/389075833.db2.gz UYNSBMDYOYIGLV-OUAUKWLOSA-N 2 2 291.317 0.643 10 0 CCAELP C[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CCN(CC(F)(F)F)C3=O)C[C@@H]2C1 ZINC000193623491 389075836 /nfs/dbraw/zinc/07/58/36/389075836.db2.gz UYNSBMDYOYIGLV-OUAUKWLOSA-N 2 2 291.317 0.643 10 0 CCAELP C[C@H]1CN(C(=O)[C@H]2CCCn3cc[nH+]c32)CC[N@@H+]1CCO ZINC000250087397 389260024 /nfs/dbraw/zinc/26/00/24/389260024.db2.gz PWLLKFWYWDRHLB-STQMWFEESA-N 2 2 292.383 0.286 10 0 CCAELP C[C@H]1CN(C(=O)[C@H]2CCCn3cc[nH+]c32)CC[N@H+]1CCO ZINC000250087397 389260026 /nfs/dbraw/zinc/26/00/26/389260026.db2.gz PWLLKFWYWDRHLB-STQMWFEESA-N 2 2 292.383 0.286 10 0 CCAELP CCC[C@H](C(=O)N[C@@H](C)C[NH+]1CCOCC1)[NH+](C)C ZINC000136033167 389263579 /nfs/dbraw/zinc/26/35/79/389263579.db2.gz KZSRBYCNXCSVSG-QWHCGFSZSA-N 2 2 271.405 0.554 10 0 CCAELP c1cc(N2CC[NH2+]CC2)c[nH+]c1NC1CC[NH2+]CC1 ZINC000333764240 389443152 /nfs/dbraw/zinc/44/31/52/389443152.db2.gz AYPNCMVEJCXBQJ-UHFFFAOYSA-N 3 2 261.373 0.655 10 0 CCAELP C[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH2+]CC2(F)F)CC1 ZINC000335110975 389538250 /nfs/dbraw/zinc/53/82/50/389538250.db2.gz MEUAHTJACDPNMV-JTQLQIEISA-N 2 2 261.316 0.395 10 0 CCAELP C[N@H+]1CCCN(C(=O)[C@@H]2CC[NH2+]CC2(F)F)CC1 ZINC000335110975 389538253 /nfs/dbraw/zinc/53/82/53/389538253.db2.gz MEUAHTJACDPNMV-JTQLQIEISA-N 2 2 261.316 0.395 10 0 CCAELP OC1(C[NH2+][C@@H]2CC[NH2+]C2)CC[NH+](Cc2ccccc2)CC1 ZINC000397489647 389778929 /nfs/dbraw/zinc/77/89/29/389778929.db2.gz HFZWBJKUFLBBKF-MRXNPFEDSA-N 3 2 289.423 0.965 10 0 CCAELP COC[C@@]1(C(=O)N2CC[NH+](C3CC3)CC2)CCC[NH2+]1 ZINC000649286898 390551306 /nfs/dbraw/zinc/55/13/06/390551306.db2.gz LLKFFBXKZKBYPE-CQSZACIVSA-N 2 2 267.373 0.062 10 0 CCAELP COc1cc[nH+]c(CN2CCO[C@@H](C[NH+](C)C)C2)c1OC ZINC000190527965 130115105 /nfs/dbraw/zinc/11/51/05/130115105.db2.gz ZGNSYCVKUYOTOX-LBPRGKRZSA-N 2 2 295.383 0.861 10 0 CCAELP [NH3+]C1CCC(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)CC1 ZINC000062976766 411687279 /nfs/dbraw/zinc/68/72/79/411687279.db2.gz WTQMQGVGNQXOJU-JXQTWKCFSA-N 2 2 281.400 0.437 10 0 CCAELP [NH3+]Cc1ccccc1NC(=O)C[NH+]1CCC(O)CC1 ZINC000022215207 171375407 /nfs/dbraw/zinc/37/54/07/171375407.db2.gz FOBGTPTXJKJUDD-UHFFFAOYSA-N 2 2 263.341 0.541 10 0 CCAELP O=C(CC[C@@H]1CC[NH2+]C1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000134562806 544631007 /nfs/dbraw/zinc/63/10/07/544631007.db2.gz JPGOYBVGELBIDM-KGLIPLIRSA-N 2 2 281.400 0.309 10 0 CCAELP O=C(CC[C@H]1CC[NH2+]C1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000134562827 544631221 /nfs/dbraw/zinc/63/12/21/544631221.db2.gz JPGOYBVGELBIDM-KBPBESRZSA-N 2 2 281.400 0.309 10 0 CCAELP C[C@@]1(C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CCCC[NH2+]1 ZINC000136194735 544637588 /nfs/dbraw/zinc/63/75/88/544637588.db2.gz UYXJCLUFPLUIBO-HOCLYGCPSA-N 2 2 295.427 0.842 10 0 CCAELP CN1CC[N@H+](C)C[C@@H]1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000224433484 544825527 /nfs/dbraw/zinc/82/55/27/544825527.db2.gz MMHAHLPCWZJRJE-FQUUOJAGSA-N 2 2 267.417 0.635 10 0 CCAELP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000224433484 544825528 /nfs/dbraw/zinc/82/55/28/544825528.db2.gz MMHAHLPCWZJRJE-FQUUOJAGSA-N 2 2 267.417 0.635 10 0 CCAELP O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000262068430 544937625 /nfs/dbraw/zinc/93/76/25/544937625.db2.gz BKPIADHUKAPMDX-GXTWGEPZSA-N 2 2 286.335 0.182 10 0 CCAELP CC(C)[C@H](C(=O)N1CCn2cc[nH+]c2C1)[C@H](C)[NH3+] ZINC000335603447 276012058 /nfs/dbraw/zinc/01/20/58/276012058.db2.gz JCUNGOFKCBCZGK-JQWIXIFHSA-N 2 2 250.346 0.845 10 0 CCAELP C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000335368507 276795929 /nfs/dbraw/zinc/79/59/29/276795929.db2.gz MIQBDGNLGALZNT-UWVGGRQHSA-N 2 2 261.316 0.394 10 0 CCAELP C[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+]3CCCC[C@@H]3C2)C1 ZINC000174343605 277117857 /nfs/dbraw/zinc/11/78/57/277117857.db2.gz QDHXLDFOAPGBSB-CHWSQXEVSA-N 2 2 267.373 0.014 10 0 CCAELP C[N@H+]1CCO[C@@H](C(=O)N2CC[NH+]3CCCC[C@@H]3C2)C1 ZINC000174343605 277117859 /nfs/dbraw/zinc/11/78/59/277117859.db2.gz QDHXLDFOAPGBSB-CHWSQXEVSA-N 2 2 267.373 0.014 10 0 CCAELP C[NH+]1CCO[C@@H](C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)C1 ZINC000174343605 277117860 /nfs/dbraw/zinc/11/78/60/277117860.db2.gz QDHXLDFOAPGBSB-CHWSQXEVSA-N 2 2 267.373 0.014 10 0 CCAELP C[NH+]1CCO[C@@H](C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)C1 ZINC000174343605 277117862 /nfs/dbraw/zinc/11/78/62/277117862.db2.gz QDHXLDFOAPGBSB-CHWSQXEVSA-N 2 2 267.373 0.014 10 0 CCAELP CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@@H]2C[N@H+](C)CCO2)C1 ZINC000176437707 279167129 /nfs/dbraw/zinc/16/71/29/279167129.db2.gz YROAJBCDWJHVQB-UONOGXRCSA-N 2 2 298.431 0.443 10 0 CCAELP CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000176437707 279167131 /nfs/dbraw/zinc/16/71/31/279167131.db2.gz YROAJBCDWJHVQB-UONOGXRCSA-N 2 2 298.431 0.443 10 0 CCAELP O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000582603334 329114556 /nfs/dbraw/zinc/11/45/56/329114556.db2.gz VFUDASBTBMCCPL-QWRGUYRKSA-N 2 2 273.327 0.680 10 0 CCAELP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CC(=O)N(C3CC3)C2)n1C ZINC000577362185 335342434 /nfs/dbraw/zinc/34/24/34/335342434.db2.gz JKQYRUJHMNTSSF-SNVBAGLBSA-N 2 2 277.372 0.339 10 0 CCAELP CS(=O)(=O)c1ccc(-n2cc[nH+]c2CC[NH3+])cc1 ZINC000052304492 525240994 /nfs/dbraw/zinc/24/09/94/525240994.db2.gz OUZNZOQXBBPEQH-UHFFFAOYSA-N 2 2 265.338 0.777 10 0 CCAELP O=S(=O)(C[C@@H]1CCC[NH2+]C1)Nc1cc[nH+]cc1 ZINC000049632203 527183092 /nfs/dbraw/zinc/18/30/92/527183092.db2.gz BEFJYOYZAQLEGU-SNVBAGLBSA-N 2 2 255.343 0.823 10 0 CCAELP CC(C)Nc1cc[nH+]c(N2CCN3CC[N@H+](C)C[C@H]3C2)n1 ZINC000106260576 567945626 /nfs/dbraw/zinc/94/56/26/567945626.db2.gz RIRWBIFAHFEJKP-ZDUSSCGKSA-N 2 2 290.415 0.733 10 0 CCAELP CC(C)Nc1cc[nH+]c(N2CCN3CC[N@@H+](C)C[C@H]3C2)n1 ZINC000106260576 567945627 /nfs/dbraw/zinc/94/56/27/567945627.db2.gz RIRWBIFAHFEJKP-ZDUSSCGKSA-N 2 2 290.415 0.733 10 0 CCAELP Cn1ncc2c1CCC[C@H]2[NH2+]C1CC[NH+](CCO)CC1 ZINC000399143290 581207986 /nfs/dbraw/zinc/20/79/86/581207986.db2.gz VRTRRIMROBJESX-CQSZACIVSA-N 2 2 278.400 0.844 10 0 CCAELP [NH3+][C@@H]1CC[C@H](C(=O)NCCCCn2cc[nH+]c2)C1 ZINC000091547683 349467759 /nfs/dbraw/zinc/46/77/59/349467759.db2.gz LIKCEPZPGKXSOD-NWDGAFQWSA-N 2 2 250.346 0.907 10 0 CCAELP C[C@@H](C[NH+]1CCCCC1)NC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000105129581 349720532 /nfs/dbraw/zinc/72/05/32/349720532.db2.gz OPALQYYDOWMSKR-UONOGXRCSA-N 2 2 298.431 0.491 10 0 CCAELP C[C@@H](C[NH+]1CCCCC1)NC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000105129581 349720533 /nfs/dbraw/zinc/72/05/33/349720533.db2.gz OPALQYYDOWMSKR-UONOGXRCSA-N 2 2 298.431 0.491 10 0 CCAELP COCC[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000105845774 349725718 /nfs/dbraw/zinc/72/57/18/349725718.db2.gz BXNPTUZLBAYWAL-OAHLLOKOSA-N 2 2 285.432 0.360 10 0 CCAELP COCC[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000105845774 349725724 /nfs/dbraw/zinc/72/57/24/349725724.db2.gz BXNPTUZLBAYWAL-OAHLLOKOSA-N 2 2 285.432 0.360 10 0 CCAELP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC[NH+]1CCOCC1 ZINC000113575506 349816921 /nfs/dbraw/zinc/81/69/21/349816921.db2.gz HLGXANJUUOFAFY-ZIAGYGMSSA-N 2 2 296.415 0.197 10 0 CCAELP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCC[NH+]1CCOCC1 ZINC000113575506 349816924 /nfs/dbraw/zinc/81/69/24/349816924.db2.gz HLGXANJUUOFAFY-ZIAGYGMSSA-N 2 2 296.415 0.197 10 0 CCAELP C[C@@H]1C[C@@H](NC[C@@H]2C[N@H+](C)CCO2)C[NH+]1C1CC1 ZINC000119266057 349926546 /nfs/dbraw/zinc/92/65/46/349926546.db2.gz ZQDNAOKLOPUQGR-YRGRVCCFSA-N 2 2 253.390 0.532 10 0 CCAELP C[C@@H]1C[C@@H](NC[C@@H]2C[N@@H+](C)CCO2)C[NH+]1C1CC1 ZINC000119266057 349926550 /nfs/dbraw/zinc/92/65/50/349926550.db2.gz ZQDNAOKLOPUQGR-YRGRVCCFSA-N 2 2 253.390 0.532 10 0 CCAELP C[C@@H]1C[C@@H](NC[C@@H]2C[NH+](C)CCO2)C[N@@H+]1C1CC1 ZINC000119266057 349926541 /nfs/dbraw/zinc/92/65/41/349926541.db2.gz ZQDNAOKLOPUQGR-YRGRVCCFSA-N 2 2 253.390 0.532 10 0 CCAELP C[C@@H]1C[C@@H](NC[C@@H]2C[NH+](C)CCO2)C[N@H+]1C1CC1 ZINC000119266057 349926543 /nfs/dbraw/zinc/92/65/43/349926543.db2.gz ZQDNAOKLOPUQGR-YRGRVCCFSA-N 2 2 253.390 0.532 10 0 CCAELP c1nc(N2CCCC2)cc(NC[C@H]2C[NH2+]CCO2)[nH+]1 ZINC000258744390 137005952 /nfs/dbraw/zinc/00/59/52/137005952.db2.gz WJYBZFYRYNQDOS-LLVKDONJSA-N 2 2 263.345 0.477 10 0 CCAELP c1nc(NC[C@H]2C[NH2+]CCO2)cc(N2CCCC2)[nH+]1 ZINC000258744390 137005953 /nfs/dbraw/zinc/00/59/53/137005953.db2.gz WJYBZFYRYNQDOS-LLVKDONJSA-N 2 2 263.345 0.477 10 0 CCAELP COC[C@H]([NH3+])C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000262358179 137040062 /nfs/dbraw/zinc/04/00/62/137040062.db2.gz VERSZOZLKASSSJ-LBPRGKRZSA-N 2 2 289.339 0.166 10 0 CCAELP CCC[C@](C)([NH3+])C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000262693089 137050565 /nfs/dbraw/zinc/05/05/65/137050565.db2.gz BKTHXFGDZNWONF-JSGCOSHPSA-N 2 2 269.389 0.483 10 0 CCAELP CCC[C@](C)([NH3+])C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000262693089 137050566 /nfs/dbraw/zinc/05/05/66/137050566.db2.gz BKTHXFGDZNWONF-JSGCOSHPSA-N 2 2 269.389 0.483 10 0 CCAELP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000261827891 137021407 /nfs/dbraw/zinc/02/14/07/137021407.db2.gz ADDQRBUUYSPQTR-GXFFZTMASA-N 3 2 278.381 0.604 10 0 CCAELP O=C([C@H]1CCCC[NH2+]1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000062976778 348674360 /nfs/dbraw/zinc/67/43/60/348674360.db2.gz CYPXHMUVLKQAPZ-CHWSQXEVSA-N 2 2 267.373 0.062 10 0 CCAELP CCNC(=O)CC[NH+]1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000079489522 349179579 /nfs/dbraw/zinc/17/95/79/349179579.db2.gz SBDDHFWWIIAYDY-ZDUSSCGKSA-N 2 2 283.416 0.698 10 0 CCAELP CCNC(=O)CC[NH+]1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000079489522 349179582 /nfs/dbraw/zinc/17/95/82/349179582.db2.gz SBDDHFWWIIAYDY-ZDUSSCGKSA-N 2 2 283.416 0.698 10 0 CCAELP CC(C)S(=O)(=O)CC[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261548616 535094537 /nfs/dbraw/zinc/09/45/37/535094537.db2.gz JTVVKSJDRHZBCN-NEPJUHHUSA-N 2 2 260.403 0.351 10 0 CCAELP CC(C)S(=O)(=O)CC[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261548616 535094542 /nfs/dbraw/zinc/09/45/42/535094542.db2.gz JTVVKSJDRHZBCN-NEPJUHHUSA-N 2 2 260.403 0.351 10 0 CCAELP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[NH+](C2CC2)CC1 ZINC000105130299 186044096 /nfs/dbraw/zinc/04/40/96/186044096.db2.gz RYTPNYSQYLMRJW-CYBMUJFWSA-N 2 2 296.415 0.197 10 0 CCAELP CC(C)[N@H+]1C[C@H](NC(=O)NCCn2cc[nH+]c2)[C@@H](C)C1 ZINC000130793244 350248594 /nfs/dbraw/zinc/24/85/94/350248594.db2.gz DKMSCYCXLVXKKD-STQMWFEESA-N 2 2 279.388 0.911 10 0 CCAELP CC(C)[N@@H+]1C[C@H](NC(=O)NCCn2cc[nH+]c2)[C@@H](C)C1 ZINC000130793244 350248596 /nfs/dbraw/zinc/24/85/96/350248596.db2.gz DKMSCYCXLVXKKD-STQMWFEESA-N 2 2 279.388 0.911 10 0 CCAELP COC(C[NH+]1CCC([N@@H+]2CCO[C@@H](C)C2)CC1)OC ZINC000136746324 350428155 /nfs/dbraw/zinc/42/81/55/350428155.db2.gz USEMFBXOAKBCQD-LBPRGKRZSA-N 2 2 272.389 0.790 10 0 CCAELP COC(C[NH+]1CCC([N@H+]2CCO[C@@H](C)C2)CC1)OC ZINC000136746324 350428161 /nfs/dbraw/zinc/42/81/61/350428161.db2.gz USEMFBXOAKBCQD-LBPRGKRZSA-N 2 2 272.389 0.790 10 0 CCAELP C[C@@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)[NH+]1CCOCC1 ZINC000170829543 350865604 /nfs/dbraw/zinc/86/56/04/350865604.db2.gz PZGRAWUTRBYFEK-STQMWFEESA-N 2 2 284.404 0.053 10 0 CCAELP CCCNC(=O)C[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000174895927 351109305 /nfs/dbraw/zinc/10/93/05/351109305.db2.gz GMRZSZAASCPZHI-OAHLLOKOSA-N 2 2 296.459 0.615 10 0 CCAELP CCCNC(=O)C[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000174895927 351109306 /nfs/dbraw/zinc/10/93/06/351109306.db2.gz GMRZSZAASCPZHI-OAHLLOKOSA-N 2 2 296.459 0.615 10 0 CCAELP OCc1ccc(C[NH2+]C[C@@H](O)C[NH+]2CCCCC2)o1 ZINC000174299969 351077861 /nfs/dbraw/zinc/07/78/61/351077861.db2.gz HNGJNWMOWIPRGD-GFCCVEGCSA-N 2 2 268.357 0.708 10 0 CCAELP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)CC1 ZINC000245543943 352328024 /nfs/dbraw/zinc/32/80/24/352328024.db2.gz TVRYHYHQWMZXSP-UONOGXRCSA-N 2 2 281.400 0.261 10 0 CCAELP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H]3OCCC[C@H]3C2)CC1 ZINC000245543943 352328026 /nfs/dbraw/zinc/32/80/26/352328026.db2.gz TVRYHYHQWMZXSP-UONOGXRCSA-N 2 2 281.400 0.261 10 0 CCAELP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000246358266 352362079 /nfs/dbraw/zinc/36/20/79/352362079.db2.gz PSQRGWNAIUFZSU-HZSPNIEDSA-N 2 2 298.431 0.299 10 0 CCAELP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000246358266 352362082 /nfs/dbraw/zinc/36/20/82/352362082.db2.gz PSQRGWNAIUFZSU-HZSPNIEDSA-N 2 2 298.431 0.299 10 0 CCAELP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000246358266 352362086 /nfs/dbraw/zinc/36/20/86/352362086.db2.gz PSQRGWNAIUFZSU-HZSPNIEDSA-N 2 2 298.431 0.299 10 0 CCAELP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000246358266 352362091 /nfs/dbraw/zinc/36/20/91/352362091.db2.gz PSQRGWNAIUFZSU-HZSPNIEDSA-N 2 2 298.431 0.299 10 0 CCAELP CC(C)Oc1cc(N2CC[N@H+](C)C[C@H]2C[NH3+])ncn1 ZINC000250575909 352506337 /nfs/dbraw/zinc/50/63/37/352506337.db2.gz DICYTFOPVDHPHC-LLVKDONJSA-N 2 2 265.361 0.343 10 0 CCAELP CC(C)Oc1cc(N2CC[N@@H+](C)C[C@H]2C[NH3+])ncn1 ZINC000250575909 352506341 /nfs/dbraw/zinc/50/63/41/352506341.db2.gz DICYTFOPVDHPHC-LLVKDONJSA-N 2 2 265.361 0.343 10 0 CCAELP C[C@H](CC(=O)NC[C@@H]1C[N@H+](C)CCO1)[C@H]1CCC[NH2+]C1 ZINC000251689601 352510937 /nfs/dbraw/zinc/51/09/37/352510937.db2.gz WKVZSBRHUUBBNM-HZSPNIEDSA-N 2 2 283.416 0.459 10 0 CCAELP C[C@H](CC(=O)NC[C@@H]1C[N@@H+](C)CCO1)[C@H]1CCC[NH2+]C1 ZINC000251689601 352510941 /nfs/dbraw/zinc/51/09/41/352510941.db2.gz WKVZSBRHUUBBNM-HZSPNIEDSA-N 2 2 283.416 0.459 10 0 CCAELP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000333012301 354744204 /nfs/dbraw/zinc/74/42/04/354744204.db2.gz BLLYTUZJONOFGQ-RYUDHWBXSA-N 2 2 262.357 0.971 10 0 CCAELP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000333012301 354744205 /nfs/dbraw/zinc/74/42/05/354744205.db2.gz BLLYTUZJONOFGQ-RYUDHWBXSA-N 2 2 262.357 0.971 10 0 CCAELP C[C@@H]1CC[NH2+]C[C@@H]1Nc1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000333926565 354817208 /nfs/dbraw/zinc/81/72/08/354817208.db2.gz VNKPVFSSGFOOMR-UPJWGTAASA-N 2 2 291.399 0.848 10 0 CCAELP Cn1cnnc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000394325990 357755489 /nfs/dbraw/zinc/75/54/89/357755489.db2.gz KRDZWYHPYWZFKQ-KGLIPLIRSA-N 2 2 271.368 0.989 10 0 CCAELP Cn1cnnc1C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000394325990 357755496 /nfs/dbraw/zinc/75/54/96/357755496.db2.gz KRDZWYHPYWZFKQ-KGLIPLIRSA-N 2 2 271.368 0.989 10 0 CCAELP CC(C)(C)OC(=O)NCC[C@H]1COCC[N@H+](CC[NH3+])C1 ZINC000616664286 365417167 /nfs/dbraw/zinc/41/71/67/365417167.db2.gz UKZRZRIPYZNOOQ-GFCCVEGCSA-N 2 2 287.404 0.808 10 0 CCAELP CC(C)(C)OC(=O)NCC[C@H]1COCC[N@@H+](CC[NH3+])C1 ZINC000616664286 365417176 /nfs/dbraw/zinc/41/71/76/365417176.db2.gz UKZRZRIPYZNOOQ-GFCCVEGCSA-N 2 2 287.404 0.808 10 0 CCAELP CO[C@H]1C[N@H+](CCn2nc(C)cc2C)[C@@](C)(C[NH3+])C1 ZINC000630360007 370061960 /nfs/dbraw/zinc/06/19/60/370061960.db2.gz DPAIYVJJWRGJKU-ZIAGYGMSSA-N 2 2 266.389 0.938 10 0 CCAELP CO[C@H]1C[N@@H+](CCn2nc(C)cc2C)[C@@](C)(C[NH3+])C1 ZINC000630360007 370061966 /nfs/dbraw/zinc/06/19/66/370061966.db2.gz DPAIYVJJWRGJKU-ZIAGYGMSSA-N 2 2 266.389 0.938 10 0 CCAELP CO[C@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)[C@](C)(C[NH3+])C1 ZINC000630367053 370067598 /nfs/dbraw/zinc/06/75/98/370067598.db2.gz ZFILXWLWLYPBFT-HIFRSBDPSA-N 2 2 277.368 0.724 10 0 CCAELP CO[C@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)[C@](C)(C[NH3+])C1 ZINC000630367053 370067601 /nfs/dbraw/zinc/06/76/01/370067601.db2.gz ZFILXWLWLYPBFT-HIFRSBDPSA-N 2 2 277.368 0.724 10 0 CCAELP C[NH+](C)Cc1nc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)no1 ZINC000333153070 205074057 /nfs/dbraw/zinc/07/40/57/205074057.db2.gz GZCCEWKMCQOHTD-ZJUUUORDSA-N 2 2 252.318 0.667 10 0 CCAELP C[NH+](C)Cc1nc([C@@H]2C[N@H+]3CCC[C@@H]3CO2)no1 ZINC000333153070 205074059 /nfs/dbraw/zinc/07/40/59/205074059.db2.gz GZCCEWKMCQOHTD-ZJUUUORDSA-N 2 2 252.318 0.667 10 0 CCAELP [NH3+]C[C@H]1CC[C@@H](C(=O)NCc2cn3ccccc3[nH+]2)O1 ZINC000261764050 190043719 /nfs/dbraw/zinc/04/37/19/190043719.db2.gz LWSOZSDQJNHLRH-NEPJUHHUSA-N 2 2 274.324 0.457 10 0 CCAELP CCC[C@@](C)([NH3+])C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062976872 388940775 /nfs/dbraw/zinc/94/07/75/388940775.db2.gz ZSLZLPBQKRSSEA-GXTWGEPZSA-N 2 2 269.389 0.437 10 0 CCAELP O=C([C@@H]1CCCC[NH2+]1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062976775 388940800 /nfs/dbraw/zinc/94/08/00/388940800.db2.gz CYPXHMUVLKQAPZ-STQMWFEESA-N 2 2 267.373 0.062 10 0 CCAELP CC(C)[NH2+]C1CCN(C(=O)NC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000111857393 389115944 /nfs/dbraw/zinc/11/59/44/389115944.db2.gz NYMSRXJNVRXHDZ-CQSZACIVSA-N 2 2 298.431 0.489 10 0 CCAELP CC(C)[NH2+]C1CCN(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000111857393 389115949 /nfs/dbraw/zinc/11/59/49/389115949.db2.gz NYMSRXJNVRXHDZ-CQSZACIVSA-N 2 2 298.431 0.489 10 0 CCAELP CC[C@@H]1CN(CC[N@@H+]2CCO[C@@H](C)C2)CC[NH+]1CCOC ZINC000253309317 389267332 /nfs/dbraw/zinc/26/73/32/389267332.db2.gz DMSQWVACSPGUCC-JKSUJKDBSA-N 2 2 299.459 0.750 10 0 CCAELP CC[C@@H]1CN(CC[N@H+]2CCO[C@@H](C)C2)CC[NH+]1CCOC ZINC000253309317 389267335 /nfs/dbraw/zinc/26/73/35/389267335.db2.gz DMSQWVACSPGUCC-JKSUJKDBSA-N 2 2 299.459 0.750 10 0 CCAELP CC[C@@H]1CN(CC[NH+]2CCO[C@@H](C)C2)CC[N@@H+]1CCOC ZINC000253309317 389267338 /nfs/dbraw/zinc/26/73/38/389267338.db2.gz DMSQWVACSPGUCC-JKSUJKDBSA-N 2 2 299.459 0.750 10 0 CCAELP CC[C@@H]1CN(CC[NH+]2CCO[C@@H](C)C2)CC[N@H+]1CCOC ZINC000253309317 389267341 /nfs/dbraw/zinc/26/73/41/389267341.db2.gz DMSQWVACSPGUCC-JKSUJKDBSA-N 2 2 299.459 0.750 10 0 CCAELP O=C(NCCCn1cc[nH+]c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171896344 389481942 /nfs/dbraw/zinc/48/19/42/389481942.db2.gz NTTLYVIQUKCAIM-CYBMUJFWSA-N 2 2 277.372 0.763 10 0 CCAELP O=C(NCCCn1cc[nH+]c1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171896344 389481946 /nfs/dbraw/zinc/48/19/46/389481946.db2.gz NTTLYVIQUKCAIM-CYBMUJFWSA-N 2 2 277.372 0.763 10 0 CCAELP CN(C[C@H]1CC[N@H+](C)C1)C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000375431958 389676365 /nfs/dbraw/zinc/67/63/65/389676365.db2.gz VGDJAFQNNXTQQZ-UWVGGRQHSA-N 2 2 261.316 0.394 10 0 CCAELP CN(C[C@H]1CC[N@@H+](C)C1)C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000375431958 389676367 /nfs/dbraw/zinc/67/63/67/389676367.db2.gz VGDJAFQNNXTQQZ-UWVGGRQHSA-N 2 2 261.316 0.394 10 0 CCAELP CC(C)n1nnnc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000571325751 390731187 /nfs/dbraw/zinc/73/11/87/390731187.db2.gz RQWAWRRXQIPRPE-GARJFASQSA-N 2 2 250.350 0.423 10 0 CCAELP CC(C)n1nnnc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000571325751 390731188 /nfs/dbraw/zinc/73/11/88/390731188.db2.gz RQWAWRRXQIPRPE-GARJFASQSA-N 2 2 250.350 0.423 10 0 CCAELP Cn1ncc2c1nc[nH+]c2N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000394260866 397516752 /nfs/dbraw/zinc/51/67/52/397516752.db2.gz LYFKMGHQOKFKHW-HZMBPMFUSA-N 2 2 272.356 0.929 10 0 CCAELP CCO[C@@H]1C[N@H+](CCCS(=O)(=O)C(C)C)C[C@H]1C[NH3+] ZINC000652356820 412038519 /nfs/dbraw/zinc/03/85/19/412038519.db2.gz JWNMFJCURWTJDD-CHWSQXEVSA-N 2 2 292.445 0.495 10 0 CCAELP CCO[C@@H]1C[N@@H+](CCCS(=O)(=O)C(C)C)C[C@H]1C[NH3+] ZINC000652356820 412038523 /nfs/dbraw/zinc/03/85/23/412038523.db2.gz JWNMFJCURWTJDD-CHWSQXEVSA-N 2 2 292.445 0.495 10 0 CCAELP CNc1nc[nH+]c(N(C)C2CC[NH+](C)CC2)c1N ZINC000040707134 174379524 /nfs/dbraw/zinc/37/95/24/174379524.db2.gz OZUCVDIQNRGSQE-UHFFFAOYSA-N 2 2 250.350 0.631 10 0 CCAELP O[C@]1(C[NH+]2CCC(Oc3cc[nH+]cc3)CC2)CC[NH2+]C1 ZINC000077320089 177251566 /nfs/dbraw/zinc/25/15/66/177251566.db2.gz WKKDISQIAQZFQH-OAHLLOKOSA-N 3 2 277.368 0.649 10 0 CCAELP CCc1cc(N2CCO[C@@H]([C@H](C)[NH3+])C2)nc(C)[nH+]1 ZINC000252688152 544930290 /nfs/dbraw/zinc/93/02/90/544930290.db2.gz NHRHKZWDZJKTJD-JOYOIKCWSA-N 2 2 250.346 0.900 10 0 CCAELP COc1cc(OC)c(OC)cc1C[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000262077159 544939913 /nfs/dbraw/zinc/93/99/13/544939913.db2.gz DJDLKGULMLTESS-NEPJUHHUSA-N 2 2 296.367 0.382 10 0 CCAELP C[N@@H+]1CCO[C@H](CNC(=O)N[C@H]2CC[NH+]3CCCC[C@H]23)C1 ZINC000332790059 545033915 /nfs/dbraw/zinc/03/39/15/545033915.db2.gz UXQOADBQVSRXKL-HZSPNIEDSA-N 2 2 296.415 0.243 10 0 CCAELP C[N@H+]1CCO[C@H](CNC(=O)N[C@H]2CC[NH+]3CCCC[C@H]23)C1 ZINC000332790059 545033919 /nfs/dbraw/zinc/03/39/19/545033919.db2.gz UXQOADBQVSRXKL-HZSPNIEDSA-N 2 2 296.415 0.243 10 0 CCAELP C[NH+]1CCO[C@H](CNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000332790059 545033921 /nfs/dbraw/zinc/03/39/21/545033921.db2.gz UXQOADBQVSRXKL-HZSPNIEDSA-N 2 2 296.415 0.243 10 0 CCAELP C[NH+]1CCO[C@H](CNC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000332790059 545033932 /nfs/dbraw/zinc/03/39/32/545033932.db2.gz UXQOADBQVSRXKL-HZSPNIEDSA-N 2 2 296.415 0.243 10 0 CCAELP C[C@H]1CC[N@H+](CCN2C(=O)NC(C)(C)C2=O)[C@@H](C[NH3+])C1 ZINC000235639111 278367784 /nfs/dbraw/zinc/36/77/84/278367784.db2.gz DKOVRVYODDZTPR-WDEREUQCSA-N 2 2 282.388 0.376 10 0 CCAELP C[C@H]1CC[N@@H+](CCN2C(=O)NC(C)(C)C2=O)[C@@H](C[NH3+])C1 ZINC000235639111 278367785 /nfs/dbraw/zinc/36/77/85/278367785.db2.gz DKOVRVYODDZTPR-WDEREUQCSA-N 2 2 282.388 0.376 10 0 CCAELP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000246951641 288301889 /nfs/dbraw/zinc/30/18/89/288301889.db2.gz DCXBWAVPBCUMAP-MCIONIFRSA-N 2 2 296.415 0.195 10 0 CCAELP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000246951641 288301891 /nfs/dbraw/zinc/30/18/91/288301891.db2.gz DCXBWAVPBCUMAP-MCIONIFRSA-N 2 2 296.415 0.195 10 0 CCAELP C[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000246951641 288301892 /nfs/dbraw/zinc/30/18/92/288301892.db2.gz DCXBWAVPBCUMAP-MCIONIFRSA-N 2 2 296.415 0.195 10 0 CCAELP C[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000246951641 288301894 /nfs/dbraw/zinc/30/18/94/288301894.db2.gz DCXBWAVPBCUMAP-MCIONIFRSA-N 2 2 296.415 0.195 10 0 CCAELP CC(C)[NH2+]C[C@H](C)C[N@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000052482739 519724232 /nfs/dbraw/zinc/72/42/32/519724232.db2.gz ORKFKQWERWMDCC-NWDGAFQWSA-N 2 2 262.419 0.739 10 0 CCAELP CC(C)[NH2+]C[C@H](C)C[N@@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000052482739 519724233 /nfs/dbraw/zinc/72/42/33/519724233.db2.gz ORKFKQWERWMDCC-NWDGAFQWSA-N 2 2 262.419 0.739 10 0 CCAELP CC(C)C[NH2+]C[C@@H]1CC[C@H](C[NH+]2CCS(=O)CC2)O1 ZINC000052516479 519745137 /nfs/dbraw/zinc/74/51/37/519745137.db2.gz GXWMBNGOCVIMGF-UONOGXRCSA-N 2 2 288.457 0.844 10 0 CCAELP CC[C@@H]1CN(S(=O)(=O)C2CC[NH2+]CC2)CC[N@@H+]1C ZINC000069051721 523461402 /nfs/dbraw/zinc/46/14/02/523461402.db2.gz QEDRYJOCSLGJPQ-LLVKDONJSA-N 2 2 275.418 0.094 10 0 CCAELP CC[C@@H]1CN(S(=O)(=O)C2CC[NH2+]CC2)CC[N@H+]1C ZINC000069051721 523461412 /nfs/dbraw/zinc/46/14/12/523461412.db2.gz QEDRYJOCSLGJPQ-LLVKDONJSA-N 2 2 275.418 0.094 10 0 CCAELP C[C@H](C[NH3+])C[N@@H+]1CCCN(c2[nH+]ccn2C)CC1 ZINC000050605367 524307310 /nfs/dbraw/zinc/30/73/10/524307310.db2.gz JUTQTHRDNKEVRN-GFCCVEGCSA-N 3 2 251.378 0.527 10 0 CCAELP C[C@H](C[NH3+])C[N@H+]1CCCN(c2[nH+]ccn2C)CC1 ZINC000050605367 524307319 /nfs/dbraw/zinc/30/73/19/524307319.db2.gz JUTQTHRDNKEVRN-GFCCVEGCSA-N 3 2 251.378 0.527 10 0 CCAELP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)C(=O)N1CCCC1 ZINC000049235699 524791708 /nfs/dbraw/zinc/79/17/08/524791708.db2.gz LPHKCNBERSYTIO-NEPJUHHUSA-N 2 2 250.346 0.872 10 0 CCAELP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)C(=O)N1CCCC1 ZINC000049235700 525601892 /nfs/dbraw/zinc/60/18/92/525601892.db2.gz LPHKCNBERSYTIO-NWDGAFQWSA-N 2 2 250.346 0.872 10 0 CCAELP [NH3+]CCN1CC[NH+](CCOCC(F)(F)F)CC1 ZINC000049310714 527185680 /nfs/dbraw/zinc/18/56/80/527185680.db2.gz VIBBKDWSWQJYGU-UHFFFAOYSA-N 2 2 255.284 0.142 10 0 CCAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)CC1 ZINC000261690537 535638820 /nfs/dbraw/zinc/63/88/20/535638820.db2.gz KSMJVNKPHCDMNQ-KBPBESRZSA-N 3 2 296.459 0.598 10 0 CCAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)CC1 ZINC000261690537 535638825 /nfs/dbraw/zinc/63/88/25/535638825.db2.gz KSMJVNKPHCDMNQ-KBPBESRZSA-N 3 2 296.459 0.598 10 0 CCAELP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000252664133 536326879 /nfs/dbraw/zinc/32/68/79/536326879.db2.gz UVVIONPEIOMDJN-SDDRHHMPSA-N 2 2 293.371 0.610 10 0 CCAELP CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000252664133 536326880 /nfs/dbraw/zinc/32/68/80/536326880.db2.gz UVVIONPEIOMDJN-SDDRHHMPSA-N 2 2 293.371 0.610 10 0 CCAELP COC(=O)[C@@H]1C[N@H+](CCn2cc[nH+]c2C)C[C@@H]1C ZINC000095019793 625001766 /nfs/dbraw/zinc/00/17/66/625001766.db2.gz BRWJVIHAZJSAIA-CMPLNLGQSA-N 2 2 251.330 0.932 10 0 CCAELP COC(=O)[C@@H]1C[N@@H+](CCn2cc[nH+]c2C)C[C@@H]1C ZINC000095019793 625001767 /nfs/dbraw/zinc/00/17/67/625001767.db2.gz BRWJVIHAZJSAIA-CMPLNLGQSA-N 2 2 251.330 0.932 10 0 CCAELP C[C@H]1C[N@H+](C)C[C@H](C(=O)NCC(C)(C)n2cc[nH+]c2)O1 ZINC000898910357 633691109 /nfs/dbraw/zinc/69/11/09/633691109.db2.gz OCLGFQNKDBVBCZ-NWDGAFQWSA-N 2 2 280.372 0.454 10 0 CCAELP C[C@H]1C[N@@H+](C)C[C@H](C(=O)NCC(C)(C)n2cc[nH+]c2)O1 ZINC000898910357 633691113 /nfs/dbraw/zinc/69/11/13/633691113.db2.gz OCLGFQNKDBVBCZ-NWDGAFQWSA-N 2 2 280.372 0.454 10 0 CCAELP C(C[NH2+]C1CC1)CN1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062973809 637190125 /nfs/dbraw/zinc/19/01/25/637190125.db2.gz MHHPBOWDYOMEAR-AWEZNQCLSA-N 2 2 253.390 0.535 10 0 CCAELP [NH3+][C@@H]1CC[C@@H](C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000091540677 349466670 /nfs/dbraw/zinc/46/66/70/349466670.db2.gz VZCUIVAZLHTUCX-UPJWGTAASA-N 2 2 267.373 0.047 10 0 CCAELP [NH3+][C@@H]1CC[C@H](C(=O)N2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000091545461 349467551 /nfs/dbraw/zinc/46/75/51/349467551.db2.gz XYFIXMSUHHGJHR-LSDHHAIUSA-N 2 2 288.395 0.853 10 0 CCAELP CO[C@@H]1CC[N@H+](CCc2cnn(C)c2)[C@H](C[NH3+])C1 ZINC000261548465 137007533 /nfs/dbraw/zinc/00/75/33/137007533.db2.gz BNCNHWMODMJWFV-QWHCGFSZSA-N 2 2 252.362 0.401 10 0 CCAELP CO[C@@H]1CC[N@@H+](CCc2cnn(C)c2)[C@H](C[NH3+])C1 ZINC000261548465 137007534 /nfs/dbraw/zinc/00/75/34/137007534.db2.gz BNCNHWMODMJWFV-QWHCGFSZSA-N 2 2 252.362 0.401 10 0 CCAELP C[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C[C@H]1[NH+]1CCOCC1 ZINC000261706073 137016517 /nfs/dbraw/zinc/01/65/17/137016517.db2.gz FXOVPWGHMKBXCX-KBUPBQIOSA-N 2 2 295.427 0.541 10 0 CCAELP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@H]1C[NH2+]C[C@@H]1O ZINC000263292596 137063105 /nfs/dbraw/zinc/06/31/05/137063105.db2.gz VUUAJKCRZHQFHV-WFASDCNBSA-N 3 2 287.367 0.246 10 0 CCAELP CC[NH+](CC)CCNC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000124941266 350111519 /nfs/dbraw/zinc/11/15/19/350111519.db2.gz NDIUEAWEMQPGGY-ZDUSSCGKSA-N 2 2 286.420 0.348 10 0 CCAELP C[N@@H+]1CCO[C@H](CNC(=O)NC[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000105144444 186043734 /nfs/dbraw/zinc/04/37/34/186043734.db2.gz DXQGEAFLNRHSHU-GXTWGEPZSA-N 2 2 296.415 0.101 10 0 CCAELP C[N@H+]1CCO[C@H](CNC(=O)NC[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000105144444 186043736 /nfs/dbraw/zinc/04/37/36/186043736.db2.gz DXQGEAFLNRHSHU-GXTWGEPZSA-N 2 2 296.415 0.101 10 0 CCAELP C[NH+]1CCO[C@H](CNC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000105144444 186043738 /nfs/dbraw/zinc/04/37/38/186043738.db2.gz DXQGEAFLNRHSHU-GXTWGEPZSA-N 2 2 296.415 0.101 10 0 CCAELP C[NH+]1CCO[C@H](CNC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000105144444 186043740 /nfs/dbraw/zinc/04/37/40/186043740.db2.gz DXQGEAFLNRHSHU-GXTWGEPZSA-N 2 2 296.415 0.101 10 0 CCAELP C[NH+]1CCC(NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)CC1 ZINC000173390002 282707342 /nfs/dbraw/zinc/70/73/42/282707342.db2.gz MJBYYOJUANKVJA-CQSZACIVSA-N 2 2 296.415 0.197 10 0 CCAELP c1cn(CC[N@@H+]2CCC[C@@H](Cn3cncn3)C2)c[nH+]1 ZINC000163464727 350766482 /nfs/dbraw/zinc/76/64/82/350766482.db2.gz NRDDDLFVYXBZKP-CYBMUJFWSA-N 2 2 260.345 0.887 10 0 CCAELP c1cn(CC[N@H+]2CCC[C@@H](Cn3cncn3)C2)c[nH+]1 ZINC000163464727 350766484 /nfs/dbraw/zinc/76/64/84/350766484.db2.gz NRDDDLFVYXBZKP-CYBMUJFWSA-N 2 2 260.345 0.887 10 0 CCAELP C[C@H]([NH3+])C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000166037368 350795781 /nfs/dbraw/zinc/79/57/81/350795781.db2.gz ALGNUNIPKUZETA-VIFPVBQESA-N 2 2 262.288 0.975 10 0 CCAELP C[NH+](C)[C@@H](C(=O)NC[C@@H]1C[N@H+](C)CCO1)c1ccccc1 ZINC000171285954 350898104 /nfs/dbraw/zinc/89/81/04/350898104.db2.gz TVBZACOVMHURMS-HUUCEWRRSA-N 2 2 291.395 0.736 10 0 CCAELP C[NH+](C)[C@@H](C(=O)NC[C@@H]1C[N@@H+](C)CCO1)c1ccccc1 ZINC000171285954 350898106 /nfs/dbraw/zinc/89/81/06/350898106.db2.gz TVBZACOVMHURMS-HUUCEWRRSA-N 2 2 291.395 0.736 10 0 CCAELP C[N@@H+]1CCO[C@H](CNC(=O)NCCC[NH+]2CCCCC2)C1 ZINC000171596044 350919165 /nfs/dbraw/zinc/91/91/65/350919165.db2.gz MXEVEESJBPXRCG-CQSZACIVSA-N 2 2 298.431 0.492 10 0 CCAELP C[N@H+]1CCO[C@H](CNC(=O)NCCC[NH+]2CCCCC2)C1 ZINC000171596044 350919168 /nfs/dbraw/zinc/91/91/68/350919168.db2.gz MXEVEESJBPXRCG-CQSZACIVSA-N 2 2 298.431 0.492 10 0 CCAELP CC[NH+](CC)CC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173978486 351065379 /nfs/dbraw/zinc/06/53/79/351065379.db2.gz SIVGHXRFUZOZAA-ZDUSSCGKSA-N 2 2 269.389 0.261 10 0 CCAELP C[NH+](C)CC(=O)N1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000175987753 351153381 /nfs/dbraw/zinc/15/33/81/351153381.db2.gz ZAEGIABRWQJHEA-CQSZACIVSA-N 2 2 282.432 0.177 10 0 CCAELP CN1CC[NH+]([C@@H]2CCCCN(C(=O)C[NH+](C)C)C2)CC1 ZINC000175987753 351153382 /nfs/dbraw/zinc/15/33/82/351153382.db2.gz ZAEGIABRWQJHEA-CQSZACIVSA-N 2 2 282.432 0.177 10 0 CCAELP O=C(NCCn1cc[nH+]c1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000175600750 351137098 /nfs/dbraw/zinc/13/70/98/351137098.db2.gz PVKGSPFLUTWYHF-CYBMUJFWSA-N 2 2 288.355 0.954 10 0 CCAELP COC[C@@H](O)C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178290592 351227000 /nfs/dbraw/zinc/22/70/00/351227000.db2.gz YRKPFTKBBFBRGZ-OLZOCXBDSA-N 2 2 253.346 0.663 10 0 CCAELP COC[C@@H](O)C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178290592 351227003 /nfs/dbraw/zinc/22/70/03/351227003.db2.gz YRKPFTKBBFBRGZ-OLZOCXBDSA-N 2 2 253.346 0.663 10 0 CCAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCNS(C)(=O)=O ZINC000178309982 351227015 /nfs/dbraw/zinc/22/70/15/351227015.db2.gz OCLTYRDWGAAAHD-LBPRGKRZSA-N 2 2 286.401 0.205 10 0 CCAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCNS(C)(=O)=O ZINC000178309982 351227020 /nfs/dbraw/zinc/22/70/20/351227020.db2.gz OCLTYRDWGAAAHD-LBPRGKRZSA-N 2 2 286.401 0.205 10 0 CCAELP Cc1cc(N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)nc(C)[nH+]1 ZINC000266447845 352703066 /nfs/dbraw/zinc/70/30/66/352703066.db2.gz WYAJGEPVOFCAPM-NWDGAFQWSA-N 2 2 264.373 0.985 10 0 CCAELP Cc1cc(N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)nc(C)[nH+]1 ZINC000266447845 352703067 /nfs/dbraw/zinc/70/30/67/352703067.db2.gz WYAJGEPVOFCAPM-NWDGAFQWSA-N 2 2 264.373 0.985 10 0 CCAELP C[C@H]1C[N@H+](CCCN2C(=O)c3ccccc3C2=O)C[C@H]1[NH3+] ZINC000300168502 354059991 /nfs/dbraw/zinc/05/99/91/354059991.db2.gz VUOAHSRAFPZRFP-SMDDNHRTSA-N 2 2 287.363 0.952 10 0 CCAELP C[C@H]1C[N@@H+](CCCN2C(=O)c3ccccc3C2=O)C[C@H]1[NH3+] ZINC000300168502 354059996 /nfs/dbraw/zinc/05/99/96/354059996.db2.gz VUOAHSRAFPZRFP-SMDDNHRTSA-N 2 2 287.363 0.952 10 0 CCAELP Cc1nc2[nH]ccc2c(NC[C@H]2C[NH2+]CCCO2)[nH+]1 ZINC000333664280 354772584 /nfs/dbraw/zinc/77/25/84/354772584.db2.gz MBYQHBAEAFGBRQ-SNVBAGLBSA-N 2 2 261.329 0.479 10 0 CCAELP NC(=O)NC(=O)C[N@@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000408390368 283304171 /nfs/dbraw/zinc/30/41/71/283304171.db2.gz UYQKSYKKFNZLLO-JTQLQIEISA-N 2 2 291.355 0.204 10 0 CCAELP NC(=O)NC(=O)C[N@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000408390368 283304173 /nfs/dbraw/zinc/30/41/73/283304173.db2.gz UYQKSYKKFNZLLO-JTQLQIEISA-N 2 2 291.355 0.204 10 0 CCAELP [NH3+]CC[N@@H+]1CCOCC[C@H]1c1cccc(CCO)c1 ZINC000616597459 365379490 /nfs/dbraw/zinc/37/94/90/365379490.db2.gz IFDRUNUTIAKQQV-HNNXBMFYSA-N 2 2 264.369 0.944 10 0 CCAELP [NH3+]CC[N@H+]1CCOCC[C@H]1c1cccc(CCO)c1 ZINC000616597459 365379498 /nfs/dbraw/zinc/37/94/98/365379498.db2.gz IFDRUNUTIAKQQV-HNNXBMFYSA-N 2 2 264.369 0.944 10 0 CCAELP C[C@H]1CN(C(=O)Cc2cn3ccccc3[nH+]2)C[C@@H]1[NH3+] ZINC000335515065 212201796 /nfs/dbraw/zinc/20/17/96/212201796.db2.gz GLXCZDJVICSAHB-JQWIXIFHSA-N 2 2 258.325 0.682 10 0 CCAELP [NH3+]C[C@@H]1CC[C@@H](NC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000333311582 205209118 /nfs/dbraw/zinc/20/91/18/205209118.db2.gz RXHVTOBHZABUGQ-KFWWJZLASA-N 2 2 295.427 0.731 10 0 CCAELP [NH3+]C[C@@H]1CC[C@@H](NC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000333311582 205209123 /nfs/dbraw/zinc/20/91/23/205209123.db2.gz RXHVTOBHZABUGQ-KFWWJZLASA-N 2 2 295.427 0.731 10 0 CCAELP O=C(Nc1cccc(-c2[nH]cc[nH+]2)c1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000262519552 190056510 /nfs/dbraw/zinc/05/65/10/190056510.db2.gz NPMMBVWXZXQSCQ-VXGBXAGGSA-N 2 2 272.308 0.738 10 0 CCAELP C[C@H]1C[NH2+]CCN1C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000334968768 207386934 /nfs/dbraw/zinc/38/69/34/207386934.db2.gz VNSUIBPYILACCP-UWVGGRQHSA-N 2 2 276.331 0.235 10 0 CCAELP C[C@@H]1[NH2+]CCC[C@@H]1Nc1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000333528445 389417733 /nfs/dbraw/zinc/41/77/33/389417733.db2.gz LVTSMOOJVUQLDZ-XQQFMLRXSA-N 2 2 291.399 0.990 10 0 CCAELP C[C@@H](O)C[N@@H+]1CCN(Cc2c[nH+]cn2C)C[C@@H]1C ZINC000177053945 389571003 /nfs/dbraw/zinc/57/10/03/389571003.db2.gz YIRDBWBCHZQIFJ-NWDGAFQWSA-N 2 2 252.362 0.307 10 0 CCAELP C[C@@H](O)C[N@H+]1CCN(Cc2c[nH+]cn2C)C[C@@H]1C ZINC000177053945 389571007 /nfs/dbraw/zinc/57/10/07/389571007.db2.gz YIRDBWBCHZQIFJ-NWDGAFQWSA-N 2 2 252.362 0.307 10 0 CCAELP CC[N@@H+]1CC[C@@H](NC(=O)NC[C@H](C)[NH+]2CCOCC2)C1 ZINC000334022793 285374127 /nfs/dbraw/zinc/37/41/27/285374127.db2.gz DRTMZXJEJNEVJJ-QWHCGFSZSA-N 2 2 284.404 0.101 10 0 CCAELP CC[N@H+]1CC[C@@H](NC(=O)NC[C@H](C)[NH+]2CCOCC2)C1 ZINC000334022793 285374128 /nfs/dbraw/zinc/37/41/28/285374128.db2.gz DRTMZXJEJNEVJJ-QWHCGFSZSA-N 2 2 284.404 0.101 10 0 CCAELP Cc1c[nH+]c2cc(C(=O)NC[C@@H]3C[N@H+](C)CCO3)ccn12 ZINC000519660190 390526434 /nfs/dbraw/zinc/52/64/34/390526434.db2.gz ZTENDDSIGNQEJN-CYBMUJFWSA-N 2 2 288.351 0.703 10 0 CCAELP Cc1c[nH+]c2cc(C(=O)NC[C@@H]3C[N@@H+](C)CCO3)ccn12 ZINC000519660190 390526442 /nfs/dbraw/zinc/52/64/42/390526442.db2.gz ZTENDDSIGNQEJN-CYBMUJFWSA-N 2 2 288.351 0.703 10 0 CCAELP CCOc1ccnc(N2CC[NH+](CCC[NH3+])CC2)n1 ZINC000164417406 130338903 /nfs/dbraw/zinc/33/89/03/130338903.db2.gz BEPHIUHAYGXSMX-UHFFFAOYSA-N 2 2 265.361 0.346 10 0 CCAELP COc1cc(OC)c(OC)cc1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1O ZINC000262077170 143935966 /nfs/dbraw/zinc/93/59/66/143935966.db2.gz DJDLKGULMLTESS-VXGBXAGGSA-N 2 2 296.367 0.382 10 0 CCAELP O=C(NCCC[NH+]1CCCC1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000369474698 144270443 /nfs/dbraw/zinc/27/04/43/144270443.db2.gz ZUNSWTNOWICVDP-JTQLQIEISA-N 2 2 261.316 0.586 10 0 CCAELP CC1(C)C(=O)NCC[N@H+]1C[C@@H](C[NH3+])c1ccccc1 ZINC000070942684 176015589 /nfs/dbraw/zinc/01/55/89/176015589.db2.gz BFGCLUHPGRGBNB-CYBMUJFWSA-N 2 2 261.369 0.939 10 0 CCAELP CC1(C)C(=O)NCC[N@@H+]1C[C@@H](C[NH3+])c1ccccc1 ZINC000070942684 176015590 /nfs/dbraw/zinc/01/55/90/176015590.db2.gz BFGCLUHPGRGBNB-CYBMUJFWSA-N 2 2 261.369 0.939 10 0 CCAELP COc1ccc(F)c(C[NH2+]C[C@]2(O)CC[NH2+]C2)c1F ZINC000077505840 177276418 /nfs/dbraw/zinc/27/64/18/177276418.db2.gz IDHWWEITKCQXPE-ZDUSSCGKSA-N 2 2 272.295 0.787 10 0 CCAELP CCC[NH+]1CCC([NH2+][C@@H]2CC(=O)N(C)C2=O)CC1 ZINC000049554840 519846925 /nfs/dbraw/zinc/84/69/25/519846925.db2.gz PURKJEIXZZWFGP-LLVKDONJSA-N 2 2 253.346 0.208 10 0 CCAELP CC[NH2+][C@H](CCN1CC[NH+](CC)CC1)C(=O)OC ZINC000062439750 520189246 /nfs/dbraw/zinc/18/92/46/520189246.db2.gz XKKNNWCBNCRINH-GFCCVEGCSA-N 2 2 257.378 0.165 10 0 CCAELP CCOC1CC[NH+](CC[C@H]([NH2+]C2CC2)C(N)=O)CC1 ZINC000062453428 521655834 /nfs/dbraw/zinc/65/58/34/521655834.db2.gz RLTMIGLDJTTZFD-ZDUSSCGKSA-N 2 2 269.389 0.483 10 0 CCAELP C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCNS(C)(=O)=O ZINC000054602069 521953635 /nfs/dbraw/zinc/95/36/35/521953635.db2.gz FBHYOTNTDAPECS-YOGCLGLASA-N 2 2 275.418 0.141 10 0 CCAELP C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCNS(C)(=O)=O ZINC000054602069 521953646 /nfs/dbraw/zinc/95/36/46/521953646.db2.gz FBHYOTNTDAPECS-YOGCLGLASA-N 2 2 275.418 0.141 10 0 CCAELP C[C@H](CN1CCOCC1)[NH2+]CCCn1cc[nH+]c1 ZINC000049504518 524357663 /nfs/dbraw/zinc/35/76/63/524357663.db2.gz YSYATUKNIPFBKY-CYBMUJFWSA-N 2 2 252.362 0.584 10 0 CCAELP C[C@H]1CC[C@H](C(=O)N2CCn3cc[nH+]c3C2)C[C@@H]1[NH3+] ZINC000062330966 524380156 /nfs/dbraw/zinc/38/01/56/524380156.db2.gz MJEUJOQQONIUCD-SRVKXCTJSA-N 2 2 262.357 0.989 10 0 CCAELP NS(=O)(=O)CCC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000066533333 527289469 /nfs/dbraw/zinc/28/94/69/527289469.db2.gz IGBYMQQPCSRTFT-UHFFFAOYSA-N 2 2 275.418 0.225 10 0 CCAELP CN(c1cc(N2CCSCC2)nc[nH+]1)C1CC([NH3+])C1 ZINC000333905496 536487957 /nfs/dbraw/zinc/48/79/57/536487957.db2.gz JUCKXLQZOFRNMP-UHFFFAOYSA-N 2 2 279.413 0.956 10 0 CCAELP CN(c1cc(N2CCSCC2)[nH+]cn1)C1CC([NH3+])C1 ZINC000333905496 536487959 /nfs/dbraw/zinc/48/79/59/536487959.db2.gz JUCKXLQZOFRNMP-UHFFFAOYSA-N 2 2 279.413 0.956 10 0 CCAELP COc1ccc2nc(C[NH2+]C[C@@H]3C[NH2+]C[C@H]3O)sc2c1 ZINC000263212652 537053826 /nfs/dbraw/zinc/05/38/26/537053826.db2.gz KKWNXCHHHGYESO-JOYOIKCWSA-N 2 2 293.392 0.975 10 0 CCAELP [NH3+][C@H](CC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)C1CC1 ZINC000124031912 646239895 /nfs/dbraw/zinc/23/98/95/646239895.db2.gz JSVHKJKIQBCFPW-QWHCGFSZSA-N 2 2 267.373 0.047 10 0 CCAELP OC[C@H]1CCCCN1c1cc(N[C@@H]2CCC[NH2+]C2)nc[nH+]1 ZINC000333618792 136412583 /nfs/dbraw/zinc/41/25/83/136412583.db2.gz ZCGGPVPYKMREJQ-CHWSQXEVSA-N 2 2 291.399 0.992 10 0 CCAELP COCC[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000105845779 136813019 /nfs/dbraw/zinc/81/30/19/136813019.db2.gz BXNPTUZLBAYWAL-HNNXBMFYSA-N 2 2 285.432 0.360 10 0 CCAELP COCC[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000105845779 136813020 /nfs/dbraw/zinc/81/30/20/136813020.db2.gz BXNPTUZLBAYWAL-HNNXBMFYSA-N 2 2 285.432 0.360 10 0 CCAELP C[C@H](C(=O)NC[C@H]1CCCO1)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261609315 137012101 /nfs/dbraw/zinc/01/21/01/137012101.db2.gz BTJKPYSCODQWEB-UPJWGTAASA-N 2 2 283.416 0.729 10 0 CCAELP C[C@H](C(=O)NC[C@H]1CCCO1)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261609315 137012102 /nfs/dbraw/zinc/01/21/02/137012102.db2.gz BTJKPYSCODQWEB-UPJWGTAASA-N 2 2 283.416 0.729 10 0 CCAELP C[C@H](C(=O)NC[C@H]1CCCO1)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261609314 137012348 /nfs/dbraw/zinc/01/23/48/137012348.db2.gz BTJKPYSCODQWEB-JHJVBQTASA-N 2 2 283.416 0.729 10 0 CCAELP C[C@H](C(=O)NC[C@H]1CCCO1)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261609314 137012349 /nfs/dbraw/zinc/01/23/49/137012349.db2.gz BTJKPYSCODQWEB-JHJVBQTASA-N 2 2 283.416 0.729 10 0 CCAELP COC(=O)c1ccc(Cl)c(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)c1 ZINC000263155743 137059141 /nfs/dbraw/zinc/05/91/41/137059141.db2.gz DKGVPNQVAADRHQ-WCQYABFASA-N 2 2 298.770 0.797 10 0 CCAELP Cn1cc[nH+]c1[C@@H](NC(=O)C1C[NH2+]C1)c1cccc(F)c1 ZINC000263256903 137061978 /nfs/dbraw/zinc/06/19/78/137061978.db2.gz FSSIABCQWKACGU-ZDUSSCGKSA-N 2 2 288.326 0.984 10 0 CCAELP CC[N@@H+]1CCO[C@@H](c2nc([C@@H]3C[NH2+]CCN3C)no2)C1 ZINC000263280367 137062798 /nfs/dbraw/zinc/06/27/98/137062798.db2.gz UDWYTNJLXCCVCZ-WDEREUQCSA-N 2 2 281.360 0.039 10 0 CCAELP CC[N@H+]1CCO[C@@H](c2nc([C@@H]3C[NH2+]CCN3C)no2)C1 ZINC000263280367 137062799 /nfs/dbraw/zinc/06/27/99/137062799.db2.gz UDWYTNJLXCCVCZ-WDEREUQCSA-N 2 2 281.360 0.039 10 0 CCAELP CCC[NH2+][C@@H](CN1CC[N@H+](C)C(C)(C)C1)C(=O)OC ZINC000104143080 185909576 /nfs/dbraw/zinc/90/95/76/185909576.db2.gz OFLQBZGOTJJIKZ-LBPRGKRZSA-N 2 2 271.405 0.554 10 0 CCAELP CCC[NH2+][C@@H](CN1CC[N@@H+](C)C(C)(C)C1)C(=O)OC ZINC000104143080 185909577 /nfs/dbraw/zinc/90/95/77/185909577.db2.gz OFLQBZGOTJJIKZ-LBPRGKRZSA-N 2 2 271.405 0.554 10 0 CCAELP O=C(NCCn1cc[nH+]c1)N1CCC[N@@H+](C2CC2)CC1 ZINC000057777150 348616254 /nfs/dbraw/zinc/61/62/54/348616254.db2.gz JIXUVGLZQZNDDW-UHFFFAOYSA-N 2 2 277.372 0.763 10 0 CCAELP O=C(NCCn1cc[nH+]c1)N1CCC[N@H+](C2CC2)CC1 ZINC000057777150 348616256 /nfs/dbraw/zinc/61/62/56/348616256.db2.gz JIXUVGLZQZNDDW-UHFFFAOYSA-N 2 2 277.372 0.763 10 0 CCAELP CC[C@@H](C(=O)NC[C@@H](C)[NH+]1CCOCC1)[NH+](C)C ZINC000124751687 350106326 /nfs/dbraw/zinc/10/63/26/350106326.db2.gz JLMMGOBFQPNCJV-NEPJUHHUSA-N 2 2 257.378 0.164 10 0 CCAELP C[C@H]1C[N@@H+](C2CC[NH+](CCC3OCCO3)CC2)CCO1 ZINC000123905278 350085705 /nfs/dbraw/zinc/08/57/05/350085705.db2.gz YNQHUYSIBZUASU-ZDUSSCGKSA-N 2 2 284.400 0.935 10 0 CCAELP C[C@H]1C[N@H+](C2CC[NH+](CCC3OCCO3)CC2)CCO1 ZINC000123905278 350085712 /nfs/dbraw/zinc/08/57/12/350085712.db2.gz YNQHUYSIBZUASU-ZDUSSCGKSA-N 2 2 284.400 0.935 10 0 CCAELP CCOCC[N@@H+]1CCN(Cc2[nH+]ccn2C)C[C@@H]1C ZINC000105835439 186075700 /nfs/dbraw/zinc/07/57/00/186075700.db2.gz ZRLHWQQKXUAXRA-ZDUSSCGKSA-N 2 2 266.389 0.963 10 0 CCAELP CCOCC[N@H+]1CCN(Cc2[nH+]ccn2C)C[C@@H]1C ZINC000105835439 186075701 /nfs/dbraw/zinc/07/57/01/186075701.db2.gz ZRLHWQQKXUAXRA-ZDUSSCGKSA-N 2 2 266.389 0.963 10 0 CCAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)NC)C1 ZINC000105922699 186090917 /nfs/dbraw/zinc/09/09/17/186090917.db2.gz TXSQLCHWWSINBN-LLVKDONJSA-N 2 2 250.346 0.828 10 0 CCAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)NC)C1 ZINC000105922699 186090919 /nfs/dbraw/zinc/09/09/19/186090919.db2.gz TXSQLCHWWSINBN-LLVKDONJSA-N 2 2 250.346 0.828 10 0 CCAELP CC(C)(C)c1nc(N2CC[NH2+]CC2)cc(CCO)[nH+]1 ZINC000143564760 350459895 /nfs/dbraw/zinc/45/98/95/350459895.db2.gz DKTBSMMDDUBLSN-UHFFFAOYSA-N 2 2 264.373 0.719 10 0 CCAELP C[C@@H](CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)[NH+]1CCOCC1 ZINC000171900856 350941611 /nfs/dbraw/zinc/94/16/11/350941611.db2.gz HDEMWNBXQHDBAH-UONOGXRCSA-N 2 2 296.415 0.197 10 0 CCAELP C[C@@H](CNC(=O)N1CC[N@H+]2CCC[C@@H]2C1)[NH+]1CCOCC1 ZINC000171900856 350941614 /nfs/dbraw/zinc/94/16/14/350941614.db2.gz HDEMWNBXQHDBAH-UONOGXRCSA-N 2 2 296.415 0.197 10 0 CCAELP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000177176106 351196260 /nfs/dbraw/zinc/19/62/60/351196260.db2.gz HYQQTOPBRXYMFI-ZIAGYGMSSA-N 2 2 292.383 0.513 10 0 CCAELP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000177176106 351196263 /nfs/dbraw/zinc/19/62/63/351196263.db2.gz HYQQTOPBRXYMFI-ZIAGYGMSSA-N 2 2 292.383 0.513 10 0 CCAELP C[C@H]1C[N@H+](CCCn2cc[nH+]c2)C[C@@H]1N1CCOCC1 ZINC000182833873 351370518 /nfs/dbraw/zinc/37/05/18/351370518.db2.gz ZBFJPVBZVVPUFT-GJZGRUSLSA-N 2 2 278.400 0.926 10 0 CCAELP C[C@H]1C[N@@H+](CCCn2cc[nH+]c2)C[C@@H]1N1CCOCC1 ZINC000182833873 351370523 /nfs/dbraw/zinc/37/05/23/351370523.db2.gz ZBFJPVBZVVPUFT-GJZGRUSLSA-N 2 2 278.400 0.926 10 0 CCAELP C[NH+](C)C[C@H]1CN(CCCn2cc[nH+]c2)CCO1 ZINC000183176223 351376338 /nfs/dbraw/zinc/37/63/38/351376338.db2.gz KBJJRYIAZMQQMY-ZDUSSCGKSA-N 2 2 252.362 0.536 10 0 CCAELP CC(C)=CC[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000192316263 351785510 /nfs/dbraw/zinc/78/55/10/351785510.db2.gz HHNQNOSQURUWCC-AWEZNQCLSA-N 2 2 281.400 0.475 10 0 CCAELP CCCCNC(=O)[C@H](C)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193620378 351836401 /nfs/dbraw/zinc/83/64/01/351836401.db2.gz CUVQSMYJVJAIDO-RWMBFGLXSA-N 2 2 253.390 0.785 10 0 CCAELP CCCCNC(=O)[C@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193620378 351836403 /nfs/dbraw/zinc/83/64/03/351836403.db2.gz CUVQSMYJVJAIDO-RWMBFGLXSA-N 2 2 253.390 0.785 10 0 CCAELP CCCCNC(=O)[C@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193620378 351836405 /nfs/dbraw/zinc/83/64/05/351836405.db2.gz CUVQSMYJVJAIDO-RWMBFGLXSA-N 2 2 253.390 0.785 10 0 CCAELP CCCCNC(=O)[C@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193620378 351836406 /nfs/dbraw/zinc/83/64/06/351836406.db2.gz CUVQSMYJVJAIDO-RWMBFGLXSA-N 2 2 253.390 0.785 10 0 CCAELP C[C@H]1C[C@H](C)CN(C(=O)C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C1 ZINC000193657859 351839876 /nfs/dbraw/zinc/83/98/76/351839876.db2.gz LPBQYRYPWKQRPF-ZQDZILKHSA-N 2 2 279.428 0.984 10 0 CCAELP C[C@H]1C[C@H](C)CN(C(=O)C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C1 ZINC000193657859 351839879 /nfs/dbraw/zinc/83/98/79/351839879.db2.gz LPBQYRYPWKQRPF-ZQDZILKHSA-N 2 2 279.428 0.984 10 0 CCAELP C[C@H]1C[C@H](C)CN(C(=O)C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)C1 ZINC000193657859 351839884 /nfs/dbraw/zinc/83/98/84/351839884.db2.gz LPBQYRYPWKQRPF-ZQDZILKHSA-N 2 2 279.428 0.984 10 0 CCAELP C[C@H]1C[C@H](C)CN(C(=O)C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)C1 ZINC000193657859 351839886 /nfs/dbraw/zinc/83/98/86/351839886.db2.gz LPBQYRYPWKQRPF-ZQDZILKHSA-N 2 2 279.428 0.984 10 0 CCAELP CC[N@H+](CCCNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1)c1ccccc1 ZINC000226827714 352034848 /nfs/dbraw/zinc/03/48/48/352034848.db2.gz GTIOLQRVNHVNTI-CABCVRRESA-N 2 2 291.395 0.742 10 0 CCAELP CC[N@@H+](CCCNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1)c1ccccc1 ZINC000226827714 352034850 /nfs/dbraw/zinc/03/48/50/352034850.db2.gz GTIOLQRVNHVNTI-CABCVRRESA-N 2 2 291.395 0.742 10 0 CCAELP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](O)CN1CCCC1=O ZINC000246134819 352350323 /nfs/dbraw/zinc/35/03/23/352350323.db2.gz MVONFLFSFHZKER-ILXRZTDVSA-N 2 2 295.427 0.528 10 0 CCAELP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](O)CN1CCCC1=O ZINC000246134819 352350326 /nfs/dbraw/zinc/35/03/26/352350326.db2.gz MVONFLFSFHZKER-ILXRZTDVSA-N 2 2 295.427 0.528 10 0 CCAELP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)CN1CCCC1=O ZINC000246134819 352350329 /nfs/dbraw/zinc/35/03/29/352350329.db2.gz MVONFLFSFHZKER-ILXRZTDVSA-N 2 2 295.427 0.528 10 0 CCAELP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)CN1CCCC1=O ZINC000246134819 352350331 /nfs/dbraw/zinc/35/03/31/352350331.db2.gz MVONFLFSFHZKER-ILXRZTDVSA-N 2 2 295.427 0.528 10 0 CCAELP C[C@@H]1C[C@@H](NC(=O)NC[C@H]2C[NH+](C)CCO2)C[N@@H+]1C1CC1 ZINC000246975429 352391221 /nfs/dbraw/zinc/39/12/21/352391221.db2.gz PKOFCGGOPMTVFY-BZPMIXESSA-N 2 2 296.415 0.241 10 0 CCAELP C[C@@H]1C[C@@H](NC(=O)NC[C@H]2C[NH+](C)CCO2)C[N@H+]1C1CC1 ZINC000246975429 352391223 /nfs/dbraw/zinc/39/12/23/352391223.db2.gz PKOFCGGOPMTVFY-BZPMIXESSA-N 2 2 296.415 0.241 10 0 CCAELP C[C@@H]1C[C@@H](NC(=O)NC[C@H]2C[N@H+](C)CCO2)C[NH+]1C1CC1 ZINC000246975429 352391228 /nfs/dbraw/zinc/39/12/28/352391228.db2.gz PKOFCGGOPMTVFY-BZPMIXESSA-N 2 2 296.415 0.241 10 0 CCAELP C[C@@H]1C[C@@H](NC(=O)NC[C@H]2C[N@@H+](C)CCO2)C[NH+]1C1CC1 ZINC000246975429 352391232 /nfs/dbraw/zinc/39/12/32/352391232.db2.gz PKOFCGGOPMTVFY-BZPMIXESSA-N 2 2 296.415 0.241 10 0 CCAELP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000247361945 352411497 /nfs/dbraw/zinc/41/14/97/352411497.db2.gz MNHZFLSQNBMJPS-UONOGXRCSA-N 2 2 298.431 0.299 10 0 CCAELP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000247361945 352411502 /nfs/dbraw/zinc/41/15/02/352411502.db2.gz MNHZFLSQNBMJPS-UONOGXRCSA-N 2 2 298.431 0.299 10 0 CCAELP CC(C)[C@H]1C[NH+](C)CCN1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000247361945 352411505 /nfs/dbraw/zinc/41/15/05/352411505.db2.gz MNHZFLSQNBMJPS-UONOGXRCSA-N 2 2 298.431 0.299 10 0 CCAELP CC(C)[C@H]1C[NH+](C)CCN1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000247361945 352411507 /nfs/dbraw/zinc/41/15/07/352411507.db2.gz MNHZFLSQNBMJPS-UONOGXRCSA-N 2 2 298.431 0.299 10 0 CCAELP Cc1cc(N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)nc(C)[nH+]1 ZINC000266447841 352702950 /nfs/dbraw/zinc/70/29/50/352702950.db2.gz WYAJGEPVOFCAPM-NEPJUHHUSA-N 2 2 264.373 0.985 10 0 CCAELP Cc1cc(N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)nc(C)[nH+]1 ZINC000266447841 352702953 /nfs/dbraw/zinc/70/29/53/352702953.db2.gz WYAJGEPVOFCAPM-NEPJUHHUSA-N 2 2 264.373 0.985 10 0 CCAELP CC[N@@H+]1CCC[C@@H]1CN(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000336826384 355201616 /nfs/dbraw/zinc/20/16/16/355201616.db2.gz NPIWHFHUGHFEQV-CABCVRRESA-N 2 2 285.432 0.096 10 0 CCAELP CC[N@H+]1CCC[C@@H]1CN(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000336826384 355201618 /nfs/dbraw/zinc/20/16/18/355201618.db2.gz NPIWHFHUGHFEQV-CABCVRRESA-N 2 2 285.432 0.096 10 0 CCAELP O[C@]1(Cn2ccnn2)CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000328923034 202115891 /nfs/dbraw/zinc/11/58/91/202115891.db2.gz CTNOJIHRSWMYTQ-CYBMUJFWSA-N 2 2 276.344 0.002 10 0 CCAELP O[C@]1(Cn2ccnn2)CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000328923034 202115894 /nfs/dbraw/zinc/11/58/94/202115894.db2.gz CTNOJIHRSWMYTQ-CYBMUJFWSA-N 2 2 276.344 0.002 10 0 CCAELP CC[N@@H+]1CCC[C@H]1CN(C)c1nc(C)[nH+]c(N)n1 ZINC000385001558 357723190 /nfs/dbraw/zinc/72/31/90/357723190.db2.gz UAKPBKXRIBWQFW-JTQLQIEISA-N 2 2 250.350 0.513 10 0 CCAELP CC[N@H+]1CCC[C@H]1CN(C)c1nc(C)[nH+]c(N)n1 ZINC000385001558 357723194 /nfs/dbraw/zinc/72/31/94/357723194.db2.gz UAKPBKXRIBWQFW-JTQLQIEISA-N 2 2 250.350 0.513 10 0 CCAELP Cc1n[nH]c(C)c1C[NH2+]C1CC[NH+](CCO)CC1 ZINC000591909134 359690277 /nfs/dbraw/zinc/69/02/77/359690277.db2.gz RZFQOZFKNQVIEQ-UHFFFAOYSA-N 2 2 252.362 0.573 10 0 CCAELP C[C@H]1C[N@H+](CC(=O)Nc2nccs2)C[C@H]1C[NH3+] ZINC000631839987 370705380 /nfs/dbraw/zinc/70/53/80/370705380.db2.gz NUSAYQHVBNKFEP-DTWKUNHWSA-N 2 2 254.359 0.608 10 0 CCAELP C[C@H]1C[N@@H+](CC(=O)Nc2nccs2)C[C@H]1C[NH3+] ZINC000631839987 370705383 /nfs/dbraw/zinc/70/53/83/370705383.db2.gz NUSAYQHVBNKFEP-DTWKUNHWSA-N 2 2 254.359 0.608 10 0 CCAELP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634765719 372212134 /nfs/dbraw/zinc/21/21/34/372212134.db2.gz AWSBVHWXUHHORE-OBJOEFQTSA-N 2 2 262.357 0.778 10 0 CCAELP CC(C)CC[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000638273930 374875120 /nfs/dbraw/zinc/87/51/20/374875120.db2.gz COGNPXJEOJQBEC-VXGBXAGGSA-N 2 2 257.378 0.197 10 0 CCAELP CC(C)CC[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000638273930 374875127 /nfs/dbraw/zinc/87/51/27/374875127.db2.gz COGNPXJEOJQBEC-VXGBXAGGSA-N 2 2 257.378 0.197 10 0 CCAELP C[C@@H]1C[NH2+]CCN1C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000334968772 207384750 /nfs/dbraw/zinc/38/47/50/207384750.db2.gz VNSUIBPYILACCP-ZJUUUORDSA-N 2 2 276.331 0.235 10 0 CCAELP CCC[C@](C)([NH3+])C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000062976873 388940523 /nfs/dbraw/zinc/94/05/23/388940523.db2.gz ZSLZLPBQKRSSEA-OCCSQVGLSA-N 2 2 269.389 0.437 10 0 CCAELP C[C@H]1COCC[N@@H+]1CCN1CCC[NH+](C2CC2)CC1 ZINC000192703943 389048644 /nfs/dbraw/zinc/04/86/44/389048644.db2.gz NEMONHHUDBIFAF-AWEZNQCLSA-N 2 2 267.417 0.877 10 0 CCAELP C[C@H]1COCC[N@H+]1CCN1CCC[NH+](C2CC2)CC1 ZINC000192703943 389048647 /nfs/dbraw/zinc/04/86/47/389048647.db2.gz NEMONHHUDBIFAF-AWEZNQCLSA-N 2 2 267.417 0.877 10 0 CCAELP C[C@H]1COCC[NH+]1CCN1CCC[N@@H+](C2CC2)CC1 ZINC000192703943 389048649 /nfs/dbraw/zinc/04/86/49/389048649.db2.gz NEMONHHUDBIFAF-AWEZNQCLSA-N 2 2 267.417 0.877 10 0 CCAELP C[C@H]1COCC[NH+]1CCN1CCC[N@H+](C2CC2)CC1 ZINC000192703943 389048651 /nfs/dbraw/zinc/04/86/51/389048651.db2.gz NEMONHHUDBIFAF-AWEZNQCLSA-N 2 2 267.417 0.877 10 0 CCAELP CC[N@@H+]1CCC[C@@H](NC(=O)NCC[NH+]2CCOCC2)C1 ZINC000194136966 389089249 /nfs/dbraw/zinc/08/92/49/389089249.db2.gz MVIYHUBDUWMFGG-CYBMUJFWSA-N 2 2 284.404 0.102 10 0 CCAELP CC[N@H+]1CCC[C@@H](NC(=O)NCC[NH+]2CCOCC2)C1 ZINC000194136966 389089252 /nfs/dbraw/zinc/08/92/52/389089252.db2.gz MVIYHUBDUWMFGG-CYBMUJFWSA-N 2 2 284.404 0.102 10 0 CCAELP Cn1ncc2c1nc(N[C@H]1CCCC[C@@H]1C[NH3+])[nH+]c2N ZINC000333570262 389427577 /nfs/dbraw/zinc/42/75/77/389427577.db2.gz RWCOYGWFSHMPBB-SCZZXKLOSA-N 2 2 275.360 0.297 10 0 CCAELP Nc1[nH+]cnc(N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1Cl ZINC000333916139 389449324 /nfs/dbraw/zinc/44/93/24/389449324.db2.gz NBHUXGJXQIKXFL-SFYZADRCSA-N 2 2 253.737 0.900 10 0 CCAELP Nc1nc[nH+]c(N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1Cl ZINC000333916139 389449327 /nfs/dbraw/zinc/44/93/27/389449327.db2.gz NBHUXGJXQIKXFL-SFYZADRCSA-N 2 2 253.737 0.900 10 0 CCAELP CC[C@H]1CN(CCC[NH+]2CCOCC2)CC[N@@H+]1CCOC ZINC000173679849 389507434 /nfs/dbraw/zinc/50/74/34/389507434.db2.gz JRNBSKXKYBOBSQ-INIZCTEOSA-N 2 2 299.459 0.751 10 0 CCAELP CC[C@H]1CN(CCC[NH+]2CCOCC2)CC[N@H+]1CCOC ZINC000173679849 389507437 /nfs/dbraw/zinc/50/74/37/389507437.db2.gz JRNBSKXKYBOBSQ-INIZCTEOSA-N 2 2 299.459 0.751 10 0 CCAELP CCc1nnc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)[nH]1 ZINC000181689763 389691476 /nfs/dbraw/zinc/69/14/76/389691476.db2.gz SNPAHBJZOCBCMF-LBPRGKRZSA-N 2 2 295.431 0.892 10 0 CCAELP CCc1nnc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)[nH]1 ZINC000181689763 389691478 /nfs/dbraw/zinc/69/14/78/389691478.db2.gz SNPAHBJZOCBCMF-LBPRGKRZSA-N 2 2 295.431 0.892 10 0 CCAELP CC[C@H](O)C[NH+]1CCN(CCCn2cc[nH+]c2)CC1 ZINC000183182345 389726310 /nfs/dbraw/zinc/72/63/10/389726310.db2.gz KFVKJWWAOZXGKT-AWEZNQCLSA-N 2 2 266.389 0.662 10 0 CCAELP [NH3+]C1CCC(C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000037626085 397382613 /nfs/dbraw/zinc/38/26/13/397382613.db2.gz PVANPLKOVJWXNF-UHFFFAOYSA-N 2 2 250.346 0.907 10 0 CCAELP Cc1[nH+]ccn1CCCN1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000652341655 412031115 /nfs/dbraw/zinc/03/11/15/412031115.db2.gz BSRKIWNWPZLLAL-ZIAGYGMSSA-N 2 2 264.373 0.644 10 0 CCAELP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H]2OCCN[C@@H]2C1 ZINC000652341655 412031122 /nfs/dbraw/zinc/03/11/22/412031122.db2.gz BSRKIWNWPZLLAL-ZIAGYGMSSA-N 2 2 264.373 0.644 10 0 CCAELP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H]2OCCN[C@@H]2C1 ZINC000652341655 412031126 /nfs/dbraw/zinc/03/11/26/412031126.db2.gz BSRKIWNWPZLLAL-ZIAGYGMSSA-N 2 2 264.373 0.644 10 0 CCAELP NC(=O)[C@H]1CCC[N@@H+]1Cc1cc(C[NH3+])ccc1F ZINC000020294497 171135366 /nfs/dbraw/zinc/13/53/66/171135366.db2.gz IPJBCNGHCHQJMM-GFCCVEGCSA-N 2 2 251.305 0.734 10 0 CCAELP NC(=O)[C@H]1CCC[N@H+]1Cc1cc(C[NH3+])ccc1F ZINC000020294497 171135369 /nfs/dbraw/zinc/13/53/69/171135369.db2.gz IPJBCNGHCHQJMM-GFCCVEGCSA-N 2 2 251.305 0.734 10 0 CCAELP O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020434058 171198883 /nfs/dbraw/zinc/19/88/83/171198883.db2.gz SIZUHYDEYSPLPR-GJZGRUSLSA-N 2 2 289.379 0.054 10 0 CCAELP CC[N@H+](CC(=O)Nc1ncccn1)C1CC[NH2+]CC1 ZINC000037538089 173257593 /nfs/dbraw/zinc/25/75/93/173257593.db2.gz CWRZPOFYFDIGRY-UHFFFAOYSA-N 2 2 263.345 0.489 10 0 CCAELP CC[N@@H+](CC(=O)Nc1ncccn1)C1CC[NH2+]CC1 ZINC000037538089 173257594 /nfs/dbraw/zinc/25/75/94/173257594.db2.gz CWRZPOFYFDIGRY-UHFFFAOYSA-N 2 2 263.345 0.489 10 0 CCAELP C[C@H](C[NH2+][C@@H]1CC(=O)NC1=O)C[NH+]1CCCCC1 ZINC000038042085 174044324 /nfs/dbraw/zinc/04/43/24/174044324.db2.gz FZEDEZNJVKDITG-GHMZBOCLSA-N 2 2 253.346 0.113 10 0 CCAELP CN(CCC(N)=S)C(=O)C[N@H+](C)C[C@H]1CC[NH+](C)C1 ZINC000071189182 176064385 /nfs/dbraw/zinc/06/43/85/176064385.db2.gz KIFIIZGYCFZNQE-NSHDSACASA-N 2 2 286.445 0.005 10 0 CCAELP CN(CCC(N)=S)C(=O)C[N@@H+](C)C[C@H]1CC[NH+](C)C1 ZINC000071189182 176064387 /nfs/dbraw/zinc/06/43/87/176064387.db2.gz KIFIIZGYCFZNQE-NSHDSACASA-N 2 2 286.445 0.005 10 0 CCAELP CN(CCC(N)=S)C(=O)C[NH+](C)C[C@H]1CC[N@H+](C)C1 ZINC000071189182 176064388 /nfs/dbraw/zinc/06/43/88/176064388.db2.gz KIFIIZGYCFZNQE-NSHDSACASA-N 2 2 286.445 0.005 10 0 CCAELP CN(CCC(N)=S)C(=O)C[NH+](C)C[C@H]1CC[N@@H+](C)C1 ZINC000071189182 176064389 /nfs/dbraw/zinc/06/43/89/176064389.db2.gz KIFIIZGYCFZNQE-NSHDSACASA-N 2 2 286.445 0.005 10 0 CCAELP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccnn1C ZINC000192721535 227271084 /nfs/dbraw/zinc/27/10/84/227271084.db2.gz HQTUHHIPZRRBOP-OLZOCXBDSA-N 2 2 266.389 0.918 10 0 CCAELP C[C@@H](Cn1cc[nH+]c1)NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054291588 544442712 /nfs/dbraw/zinc/44/27/12/544442712.db2.gz WDOYTJNHNABSMP-NWDGAFQWSA-N 2 2 250.346 0.778 10 0 CCAELP O=C([C@@H]1COCC[NH2+]1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000088370468 544506527 /nfs/dbraw/zinc/50/65/27/544506527.db2.gz QHYQQCZMPDVUBE-ZDUSSCGKSA-N 2 2 295.408 0.381 10 0 CCAELP CN(Cc1[nH+]ccn1C)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089457672 544514397 /nfs/dbraw/zinc/51/43/97/544514397.db2.gz KRLFSCZUXHJKRC-GHMZBOCLSA-N 2 2 250.346 0.754 10 0 CCAELP CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H](C)[NH+]2CCOCC2)C1 ZINC000194145213 544808929 /nfs/dbraw/zinc/80/89/29/544808929.db2.gz CKCWNQNSUNICSP-ZIAGYGMSSA-N 2 2 298.431 0.491 10 0 CCAELP CC[C@H]1CN(C(=O)c2ccc(C[NH3+])o2)CC[N@@H+]1C[C@H](C)O ZINC000246510222 544910059 /nfs/dbraw/zinc/91/00/59/544910059.db2.gz QKIWAHCOCQBBPE-RYUDHWBXSA-N 2 2 295.383 0.656 10 0 CCAELP CC[C@H]1CN(C(=O)c2ccc(C[NH3+])o2)CC[N@H+]1C[C@H](C)O ZINC000246510222 544910065 /nfs/dbraw/zinc/91/00/65/544910065.db2.gz QKIWAHCOCQBBPE-RYUDHWBXSA-N 2 2 295.383 0.656 10 0 CCAELP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1csc(-c2ccccn2)n1 ZINC000262080199 544939847 /nfs/dbraw/zinc/93/98/47/544939847.db2.gz FAZHEFYVKFNJPD-GWCFXTLKSA-N 2 2 290.392 0.875 10 0 CCAELP CCn1nc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)c2ccccc21 ZINC000262148715 544941658 /nfs/dbraw/zinc/94/16/58/544941658.db2.gz QSQUWOFXMQLLBN-XHDPSFHLSA-N 2 2 274.368 0.726 10 0 CCAELP C[C@@H]1CN(C(=O)NCc2ccn3cc[nH+]c3c2)C[C@H]1[NH3+] ZINC000333676292 545041684 /nfs/dbraw/zinc/04/16/84/545041684.db2.gz YZUNZQGAZKUBGA-ZYHUDNBSSA-N 2 2 273.340 0.823 10 0 CCAELP CCC[C@@H](C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)[NH+](C)C ZINC000120946849 278854925 /nfs/dbraw/zinc/85/49/25/278854925.db2.gz RADHDGWDHJRTIV-KGLIPLIRSA-N 2 2 283.416 0.650 10 0 CCAELP C[C@@H]1C[N@H+](CCN2C[C@@H]3CCC[NH+]3C[C@@H]2C)CCO1 ZINC000249279749 288174780 /nfs/dbraw/zinc/17/47/80/288174780.db2.gz MFGCCQBYNLZCKZ-ZNMIVQPWSA-N 2 2 267.417 0.876 10 0 CCAELP C[C@@H]1C[N@@H+](CCN2C[C@@H]3CCC[NH+]3C[C@@H]2C)CCO1 ZINC000249279749 288174784 /nfs/dbraw/zinc/17/47/84/288174784.db2.gz MFGCCQBYNLZCKZ-ZNMIVQPWSA-N 2 2 267.417 0.876 10 0 CCAELP C[C@@H]1C[NH+](CCN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)CCO1 ZINC000249279749 288174785 /nfs/dbraw/zinc/17/47/85/288174785.db2.gz MFGCCQBYNLZCKZ-ZNMIVQPWSA-N 2 2 267.417 0.876 10 0 CCAELP C[C@@H]1C[NH+](CCN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)CCO1 ZINC000249279749 288174789 /nfs/dbraw/zinc/17/47/89/288174789.db2.gz MFGCCQBYNLZCKZ-ZNMIVQPWSA-N 2 2 267.417 0.876 10 0 CCAELP C[C@H]([C@H](C)NC(=O)N1CC[C@@H]([NH+](C)C)C1)[NH+]1CCOCC1 ZINC000246423186 290203269 /nfs/dbraw/zinc/20/32/69/290203269.db2.gz MDOBVMIBUANKTR-BFHYXJOUSA-N 2 2 298.431 0.441 10 0 CCAELP O=C([C@H]1CC(F)(F)C[NH2+]1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000582603332 329114436 /nfs/dbraw/zinc/11/44/36/329114436.db2.gz VFUDASBTBMCCPL-GHMZBOCLSA-N 2 2 273.327 0.680 10 0 CCAELP CC[NH2+]CC(C)(C)C[NH+]1CCN(CC[NH+](C)C)CC1 ZINC000061653758 519911564 /nfs/dbraw/zinc/91/15/64/519911564.db2.gz BKRSALRJOQVAQS-UHFFFAOYSA-N 3 2 270.465 0.801 10 0 CCAELP CC1(C)C[N@H+](CCC[NH+]2CCCC2)C[C@H](CO)O1 ZINC000163867507 520464581 /nfs/dbraw/zinc/46/45/81/520464581.db2.gz ZHFIBGMNTZBQBO-CYBMUJFWSA-N 2 2 256.390 0.944 10 0 CCAELP CC1(C)C[N@@H+](CCC[NH+]2CCCC2)C[C@H](CO)O1 ZINC000163867507 520464588 /nfs/dbraw/zinc/46/45/88/520464588.db2.gz ZHFIBGMNTZBQBO-CYBMUJFWSA-N 2 2 256.390 0.944 10 0 CCAELP C[NH2+][C@@](C)(CCN(C)CC[NH+]1CCCC1)C(=O)OC ZINC000063053174 522410681 /nfs/dbraw/zinc/41/06/81/522410681.db2.gz HBQOQKUJHZRUDU-AWEZNQCLSA-N 2 2 271.405 0.555 10 0 CCAELP C[C@@H](C[NH3+])C[NH+]1CCN(CCn2cccn2)CC1 ZINC000049313897 524584439 /nfs/dbraw/zinc/58/44/39/524584439.db2.gz WJTTUXFWWWCBGH-ZDUSSCGKSA-N 2 2 251.378 0.096 10 0 CCAELP C[C@@H]([NH3+])[C@@H]([NH+]1CCN(CC[NH+](C)C)CC1)C(C)(C)C ZINC000061642419 525004980 /nfs/dbraw/zinc/00/49/80/525004980.db2.gz GRTSNEREEKBFJN-ZIAGYGMSSA-N 3 2 270.465 0.928 10 0 CCAELP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)CC1 ZINC000093191282 349531555 /nfs/dbraw/zinc/53/15/55/349531555.db2.gz TVRYHYHQWMZXSP-KGLIPLIRSA-N 2 2 281.400 0.261 10 0 CCAELP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)CC1 ZINC000093191282 349531558 /nfs/dbraw/zinc/53/15/58/349531558.db2.gz TVRYHYHQWMZXSP-KGLIPLIRSA-N 2 2 281.400 0.261 10 0 CCAELP C[C@H](CNC(=O)NC[C@@H]1CCC[N@H+](C)C1)[NH+]1CCOCC1 ZINC000108552150 349750101 /nfs/dbraw/zinc/75/01/01/349750101.db2.gz HCHIFPMCPVHYDK-KGLIPLIRSA-N 2 2 298.431 0.348 10 0 CCAELP C[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](C)C1)[NH+]1CCOCC1 ZINC000108552150 349750102 /nfs/dbraw/zinc/75/01/02/349750102.db2.gz HCHIFPMCPVHYDK-KGLIPLIRSA-N 2 2 298.431 0.348 10 0 CCAELP COCC[N@H+]1CCN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC000119523235 349939937 /nfs/dbraw/zinc/93/99/37/349939937.db2.gz DYXMQENAOHZVDG-HNNXBMFYSA-N 2 2 297.443 0.897 10 0 CCAELP c1nc(N2CCOCC2)cc(NC[C@@H]2CC[NH2+]C2)[nH+]1 ZINC000258599430 137005731 /nfs/dbraw/zinc/00/57/31/137005731.db2.gz HHFPFCQFSQJEQR-LLVKDONJSA-N 2 2 263.345 0.335 10 0 CCAELP c1nc(NC[C@@H]2CC[NH2+]C2)cc(N2CCOCC2)[nH+]1 ZINC000258599430 137005732 /nfs/dbraw/zinc/00/57/32/137005732.db2.gz HHFPFCQFSQJEQR-LLVKDONJSA-N 2 2 263.345 0.335 10 0 CCAELP Cn1c(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)nc2cc(Cl)ccc21 ZINC000263319089 137063973 /nfs/dbraw/zinc/06/39/73/137063973.db2.gz ZXLJEDUPIYFMSV-TVQRCGJNSA-N 2 2 294.786 0.897 10 0 CCAELP COc1c(C[NH2+]C2CC[NH+](C)CC2)c(C)nn1C ZINC000134296870 350360207 /nfs/dbraw/zinc/36/02/07/350360207.db2.gz QMQZIWLSOAEVEB-UHFFFAOYSA-N 2 2 252.362 0.921 10 0 CCAELP CC[C@H](C(=O)N1CC[N@H+](CCOC)[C@H](C)C1)[NH+](C)C ZINC000152474037 350529940 /nfs/dbraw/zinc/52/99/40/350529940.db2.gz BARLRNOEKWWEHZ-CHWSQXEVSA-N 2 2 271.405 0.506 10 0 CCAELP CC[C@H](C(=O)N1CC[N@@H+](CCOC)[C@H](C)C1)[NH+](C)C ZINC000152474037 350529944 /nfs/dbraw/zinc/52/99/44/350529944.db2.gz BARLRNOEKWWEHZ-CHWSQXEVSA-N 2 2 271.405 0.506 10 0 CCAELP CCOCC[N@@H+]1CCN(Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC000111228077 186372480 /nfs/dbraw/zinc/37/24/80/186372480.db2.gz PSDZKQJLWAWLBX-LBPRGKRZSA-N 2 2 252.362 0.952 10 0 CCAELP CCOCC[N@H+]1CCN(Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC000111228077 186372481 /nfs/dbraw/zinc/37/24/81/186372481.db2.gz PSDZKQJLWAWLBX-LBPRGKRZSA-N 2 2 252.362 0.952 10 0 CCAELP CC[NH+](CC)CC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173978496 351065567 /nfs/dbraw/zinc/06/55/67/351065567.db2.gz SIVGHXRFUZOZAA-CYBMUJFWSA-N 2 2 269.389 0.261 10 0 CCAELP CC[NH+]1CCN([C@H]2CC[N@H+](CC(=O)OCC(C)C)C2)CC1 ZINC000181454222 351320875 /nfs/dbraw/zinc/32/08/75/351320875.db2.gz VRSWKSQMKRQUOI-HNNXBMFYSA-N 2 2 297.443 0.897 10 0 CCAELP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)OCC(C)C)C2)CC1 ZINC000181454222 351320880 /nfs/dbraw/zinc/32/08/80/351320880.db2.gz VRSWKSQMKRQUOI-HNNXBMFYSA-N 2 2 297.443 0.897 10 0 CCAELP COCCN1CCC[N@H+](CCC[NH+]2CCCC2)CC1=O ZINC000190791916 351735632 /nfs/dbraw/zinc/73/56/32/351735632.db2.gz NRMYUEIOUMEVSE-UHFFFAOYSA-N 2 2 283.416 0.653 10 0 CCAELP COCCN1CCC[N@@H+](CCC[NH+]2CCCC2)CC1=O ZINC000190791916 351735633 /nfs/dbraw/zinc/73/56/33/351735633.db2.gz NRMYUEIOUMEVSE-UHFFFAOYSA-N 2 2 283.416 0.653 10 0 CCAELP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000237053309 352239535 /nfs/dbraw/zinc/23/95/35/352239535.db2.gz USYONACQHLIRPW-KBPBESRZSA-N 2 2 297.443 0.992 10 0 CCAELP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000237053309 352239540 /nfs/dbraw/zinc/23/95/40/352239540.db2.gz USYONACQHLIRPW-KBPBESRZSA-N 2 2 297.443 0.992 10 0 CCAELP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3nccc(N)n3)CC[C@H]21 ZINC000246414226 352365904 /nfs/dbraw/zinc/36/59/04/352365904.db2.gz BSHTZEUBYGKVFG-VXGBXAGGSA-N 2 2 261.373 0.975 10 0 CCAELP C[N@H+]1CCC[C@@H]2C[NH+](Cc3nccc(N)n3)CC[C@H]21 ZINC000246414226 352365907 /nfs/dbraw/zinc/36/59/07/352365907.db2.gz BSHTZEUBYGKVFG-VXGBXAGGSA-N 2 2 261.373 0.975 10 0 CCAELP C[NH+]1CCC[C@@H]2C[N@H+](Cc3nccc(N)n3)CC[C@H]21 ZINC000246414226 352365908 /nfs/dbraw/zinc/36/59/08/352365908.db2.gz BSHTZEUBYGKVFG-VXGBXAGGSA-N 2 2 261.373 0.975 10 0 CCAELP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3nccc(N)n3)CC[C@H]21 ZINC000246414226 352365911 /nfs/dbraw/zinc/36/59/11/352365911.db2.gz BSHTZEUBYGKVFG-VXGBXAGGSA-N 2 2 261.373 0.975 10 0 CCAELP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[NH+](C2CC2)CCO1 ZINC000246763999 352382256 /nfs/dbraw/zinc/38/22/56/352382256.db2.gz NCXZDIIAXGVVLF-GJZGRUSLSA-N 2 2 295.427 0.840 10 0 CCAELP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[NH+](C2CC2)CCO1 ZINC000246763999 352382259 /nfs/dbraw/zinc/38/22/59/352382259.db2.gz NCXZDIIAXGVVLF-GJZGRUSLSA-N 2 2 295.427 0.840 10 0 CCAELP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000246763999 352382260 /nfs/dbraw/zinc/38/22/60/352382260.db2.gz NCXZDIIAXGVVLF-GJZGRUSLSA-N 2 2 295.427 0.840 10 0 CCAELP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000246763999 352382266 /nfs/dbraw/zinc/38/22/66/352382266.db2.gz NCXZDIIAXGVVLF-GJZGRUSLSA-N 2 2 295.427 0.840 10 0 CCAELP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000247230833 352404953 /nfs/dbraw/zinc/40/49/53/352404953.db2.gz WYRRLMSKBIPCAC-CABCVRRESA-N 2 2 295.427 0.794 10 0 CCAELP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000247230833 352404955 /nfs/dbraw/zinc/40/49/55/352404955.db2.gz WYRRLMSKBIPCAC-CABCVRRESA-N 2 2 295.427 0.794 10 0 CCAELP C[C@@H]1CC[NH2+]C[C@H]1Nc1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000333926564 354817039 /nfs/dbraw/zinc/81/70/39/354817039.db2.gz VNKPVFSSGFOOMR-JHJVBQTASA-N 2 2 291.399 0.848 10 0 CCAELP CC1(C)C[C@H]([NH2+][C@H]2CCC[N@H+](CCO)C2)CCO1 ZINC000384641435 357721425 /nfs/dbraw/zinc/72/14/25/357721425.db2.gz XIGQCWRXMYOSHN-OLZOCXBDSA-N 2 2 256.390 0.990 10 0 CCAELP CC1(C)C[C@H]([NH2+][C@H]2CCC[N@@H+](CCO)C2)CCO1 ZINC000384641435 357721428 /nfs/dbraw/zinc/72/14/28/357721428.db2.gz XIGQCWRXMYOSHN-OLZOCXBDSA-N 2 2 256.390 0.990 10 0 CCAELP C[C@@H]1C[N@H+](C)CCN1c1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000408388474 358067915 /nfs/dbraw/zinc/06/79/15/358067915.db2.gz CQMUULNQDYHWBR-OLZOCXBDSA-N 2 2 291.399 0.578 10 0 CCAELP C[C@@H]1C[N@@H+](C)CCN1c1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000408388474 358067920 /nfs/dbraw/zinc/06/79/20/358067920.db2.gz CQMUULNQDYHWBR-OLZOCXBDSA-N 2 2 291.399 0.578 10 0 CCAELP C[C@H]1C[N@H+](C)CCN1c1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000408388476 358068356 /nfs/dbraw/zinc/06/83/56/358068356.db2.gz CQMUULNQDYHWBR-STQMWFEESA-N 2 2 291.399 0.578 10 0 CCAELP C[C@H]1C[N@@H+](C)CCN1c1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000408388476 358068359 /nfs/dbraw/zinc/06/83/59/358068359.db2.gz CQMUULNQDYHWBR-STQMWFEESA-N 2 2 291.399 0.578 10 0 CCAELP CCc1nnc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)n1C ZINC000573325082 358957686 /nfs/dbraw/zinc/95/76/86/358957686.db2.gz IJFXYRJLJBIADR-QWRGUYRKSA-N 2 2 251.378 0.937 10 0 CCAELP CCc1nnc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)n1C ZINC000573325082 358957688 /nfs/dbraw/zinc/95/76/88/358957688.db2.gz IJFXYRJLJBIADR-QWRGUYRKSA-N 2 2 251.378 0.937 10 0 CCAELP CC(C)Cn1ncnc1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631837976 370704098 /nfs/dbraw/zinc/70/40/98/370704098.db2.gz YLLYXYRHIKKDBZ-NWDGAFQWSA-N 2 2 251.378 0.961 10 0 CCAELP CC(C)Cn1ncnc1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631837976 370704104 /nfs/dbraw/zinc/70/41/04/370704104.db2.gz YLLYXYRHIKKDBZ-NWDGAFQWSA-N 2 2 251.378 0.961 10 0 CCAELP CN(CC[N@H+](C)CCO)Cc1cn2ccccc2[nH+]1 ZINC000623091536 367450523 /nfs/dbraw/zinc/45/05/23/367450523.db2.gz GXAQGBQOXIBYGI-UHFFFAOYSA-N 2 2 262.357 0.690 10 0 CCAELP CN(CC[N@@H+](C)CCO)Cc1cn2ccccc2[nH+]1 ZINC000623091536 367450531 /nfs/dbraw/zinc/45/05/31/367450531.db2.gz GXAQGBQOXIBYGI-UHFFFAOYSA-N 2 2 262.357 0.690 10 0 CCAELP CO[C@H]1C[N@H+](CCc2ccnn2C)[C@](C)(C[NH3+])C1 ZINC000634688184 372133809 /nfs/dbraw/zinc/13/38/09/372133809.db2.gz KWPUAMBUTPFFCH-OLZOCXBDSA-N 2 2 252.362 0.401 10 0 CCAELP CO[C@H]1C[N@@H+](CCc2ccnn2C)[C@](C)(C[NH3+])C1 ZINC000634688184 372133817 /nfs/dbraw/zinc/13/38/17/372133817.db2.gz KWPUAMBUTPFFCH-OLZOCXBDSA-N 2 2 252.362 0.401 10 0 CCAELP Cc1cc2ccccc2[nH+]c1NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000643040266 377702324 /nfs/dbraw/zinc/70/23/24/377702324.db2.gz OVISTTUKEWSQIB-JSGCOSHPSA-N 2 2 257.337 0.957 10 0 CCAELP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)CC[N@H+]1C ZINC000247080837 285042568 /nfs/dbraw/zinc/04/25/68/285042568.db2.gz OWJJQEPWRUQMSI-RBSFLKMASA-N 3 2 269.433 0.906 10 0 CCAELP COCC[N@@H+]1CCN([C@@H](C)C[NH+]2CCOCC2)C[C@@H]1C ZINC000180477916 285050702 /nfs/dbraw/zinc/05/07/02/285050702.db2.gz SPROGRPFVNCDLW-GJZGRUSLSA-N 2 2 285.432 0.360 10 0 CCAELP COCC[N@H+]1CCN([C@@H](C)C[NH+]2CCOCC2)C[C@@H]1C ZINC000180477916 285050703 /nfs/dbraw/zinc/05/07/03/285050703.db2.gz SPROGRPFVNCDLW-GJZGRUSLSA-N 2 2 285.432 0.360 10 0 CCAELP C[C@H](CNC(=O)NC1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000071913140 388958754 /nfs/dbraw/zinc/95/87/54/388958754.db2.gz XNWFYUQWAKFCMK-GFCCVEGCSA-N 2 2 284.404 0.101 10 0 CCAELP C[C@@H](C[NH3+])[NH2+]C1CN(C(=O)OCc2ccccc2)C1 ZINC000307721583 389091705 /nfs/dbraw/zinc/09/17/05/389091705.db2.gz WWWDMXNJGROTHL-NSHDSACASA-N 2 2 263.341 0.944 10 0 CCAELP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000245415257 389205810 /nfs/dbraw/zinc/20/58/10/389205810.db2.gz DBJGKXGCHFIFHC-RDBSUJKOSA-N 2 2 281.400 0.402 10 0 CCAELP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000245415257 389205812 /nfs/dbraw/zinc/20/58/12/389205812.db2.gz DBJGKXGCHFIFHC-RDBSUJKOSA-N 2 2 281.400 0.402 10 0 CCAELP CC[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000245415257 389205815 /nfs/dbraw/zinc/20/58/15/389205815.db2.gz DBJGKXGCHFIFHC-RDBSUJKOSA-N 2 2 281.400 0.402 10 0 CCAELP CC[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000245415257 389205816 /nfs/dbraw/zinc/20/58/16/389205816.db2.gz DBJGKXGCHFIFHC-RDBSUJKOSA-N 2 2 281.400 0.402 10 0 CCAELP CCC[C@H](C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1)[NH+](C)C ZINC000155966325 389323066 /nfs/dbraw/zinc/32/30/66/389323066.db2.gz PWMJJYBUVIYCIO-ZIAGYGMSSA-N 2 2 283.416 0.696 10 0 CCAELP CCC[C@H](C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1)[NH+](C)C ZINC000155966325 389323068 /nfs/dbraw/zinc/32/30/68/389323068.db2.gz PWMJJYBUVIYCIO-ZIAGYGMSSA-N 2 2 283.416 0.696 10 0 CCAELP CC(C)[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000174392184 389520515 /nfs/dbraw/zinc/52/05/15/389520515.db2.gz IXBOHKYGTBQNMN-CQSZACIVSA-N 2 2 283.416 0.554 10 0 CCAELP CC(C)[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000174392184 389520523 /nfs/dbraw/zinc/52/05/23/389520523.db2.gz IXBOHKYGTBQNMN-CQSZACIVSA-N 2 2 283.416 0.554 10 0 CCAELP CC(C)[N@H+](C)CC(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000276789832 389541001 /nfs/dbraw/zinc/54/10/01/389541001.db2.gz VJJVTRDFVYJVCO-CYBMUJFWSA-N 2 2 293.415 0.575 10 0 CCAELP CC(C)[N@@H+](C)CC(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000276789832 389541006 /nfs/dbraw/zinc/54/10/06/389541006.db2.gz VJJVTRDFVYJVCO-CYBMUJFWSA-N 2 2 293.415 0.575 10 0 CCAELP CCc1cc(N2CCO[C@H]([C@@H](C)[NH3+])C2)nc(C)[nH+]1 ZINC000132881509 411727144 /nfs/dbraw/zinc/72/71/44/411727144.db2.gz NHRHKZWDZJKTJD-SKDRFNHKSA-N 2 2 250.346 0.900 10 0 CCAELP C[NH+]1CCN(S(=O)(=O)c2cccc(C[NH3+])c2)CC1 ZINC000022175469 171370468 /nfs/dbraw/zinc/37/04/68/171370468.db2.gz NXYASIGVRFAOGD-UHFFFAOYSA-N 2 2 269.370 0.081 10 0 CCAELP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653111613 412223278 /nfs/dbraw/zinc/22/32/78/412223278.db2.gz UROBTCKMZXTXSA-OPRDCNLKSA-N 2 2 290.289 0.786 10 0 CCAELP C[C@H]([NH2+]CCCS(C)(=O)=O)[C@H]1CCC[N@H+](C)C1 ZINC000038047494 174057988 /nfs/dbraw/zinc/05/79/88/174057988.db2.gz UFDHLLGCXREQTE-RYUDHWBXSA-N 2 2 262.419 0.741 10 0 CCAELP C[C@H]([NH2+]CCCS(C)(=O)=O)[C@H]1CCC[N@@H+](C)C1 ZINC000038047494 174057989 /nfs/dbraw/zinc/05/79/89/174057989.db2.gz UFDHLLGCXREQTE-RYUDHWBXSA-N 2 2 262.419 0.741 10 0 CCAELP C[N@@H+]1CCO[C@@H](CNC(=O)C2([NH3+])CC3(CCC3)C2)C1 ZINC000662789090 414794244 /nfs/dbraw/zinc/79/42/44/414794244.db2.gz RWCAMRXJPACNHA-NSHDSACASA-N 2 2 267.373 0.095 10 0 CCAELP C[N@H+]1CCO[C@@H](CNC(=O)C2([NH3+])CC3(CCC3)C2)C1 ZINC000662789090 414794249 /nfs/dbraw/zinc/79/42/49/414794249.db2.gz RWCAMRXJPACNHA-NSHDSACASA-N 2 2 267.373 0.095 10 0 CCAELP C[NH2+]C[C@H]1CC[N@H+](CC(=O)NCc2ccco2)C1 ZINC000071147091 176043653 /nfs/dbraw/zinc/04/36/53/176043653.db2.gz KCCBADWNXDZBTK-LLVKDONJSA-N 2 2 251.330 0.437 10 0 CCAELP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)NCc2ccco2)C1 ZINC000071147091 176043654 /nfs/dbraw/zinc/04/36/54/176043654.db2.gz KCCBADWNXDZBTK-LLVKDONJSA-N 2 2 251.330 0.437 10 0 CCAELP Cn1c2ccc(CCC[N@H+](C)CC[NH3+])cc2oc1=O ZINC000076362670 177002854 /nfs/dbraw/zinc/00/28/54/177002854.db2.gz MHJHXNGNFXYKAC-UHFFFAOYSA-N 2 2 263.341 0.955 10 0 CCAELP Cn1c2ccc(CCC[N@@H+](C)CC[NH3+])cc2oc1=O ZINC000076362670 177002855 /nfs/dbraw/zinc/00/28/55/177002855.db2.gz MHJHXNGNFXYKAC-UHFFFAOYSA-N 2 2 263.341 0.955 10 0 CCAELP CC(C)[C@H]([NH3+])CC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000136325617 544637530 /nfs/dbraw/zinc/63/75/30/544637530.db2.gz XBWFMVFVXXRXKQ-VXGBXAGGSA-N 2 2 257.378 0.197 10 0 CCAELP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCC[N@@H+](C)CC1)C2 ZINC000220622721 544815955 /nfs/dbraw/zinc/81/59/55/544815955.db2.gz LWIBELCUJMVBSA-GFCCVEGCSA-N 2 2 276.384 0.987 10 0 CCAELP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCC[N@H+](C)CC1)C2 ZINC000220622721 544815957 /nfs/dbraw/zinc/81/59/57/544815957.db2.gz LWIBELCUJMVBSA-GFCCVEGCSA-N 2 2 276.384 0.987 10 0 CCAELP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCC[N@@H+](C)CC1)CC2 ZINC000220622721 544815964 /nfs/dbraw/zinc/81/59/64/544815964.db2.gz LWIBELCUJMVBSA-GFCCVEGCSA-N 2 2 276.384 0.987 10 0 CCAELP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCC[N@H+](C)CC1)CC2 ZINC000220622721 544815968 /nfs/dbraw/zinc/81/59/68/544815968.db2.gz LWIBELCUJMVBSA-GFCCVEGCSA-N 2 2 276.384 0.987 10 0 CCAELP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(Br)cn1 ZINC000262129398 544941078 /nfs/dbraw/zinc/94/10/78/544941078.db2.gz NQEXQUZOXLPLCR-GZMMTYOYSA-N 2 2 286.173 0.514 10 0 CCAELP C[NH2+][C@H](C)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000055421402 260220434 /nfs/dbraw/zinc/22/04/34/260220434.db2.gz ZTVOQERUUNKPHH-CYBMUJFWSA-N 2 2 261.369 0.939 10 0 CCAELP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000105125173 276339293 /nfs/dbraw/zinc/33/92/93/276339293.db2.gz GWGCUTZLRYGTRV-CHWSQXEVSA-N 2 2 286.420 0.347 10 0 CCAELP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000105125173 276339294 /nfs/dbraw/zinc/33/92/94/276339294.db2.gz GWGCUTZLRYGTRV-CHWSQXEVSA-N 2 2 286.420 0.347 10 0 CCAELP C[C@H](C(=O)NCC(C)(C)[NH+]1CCOCC1)C1C[NH2+]C1 ZINC000164378081 298145880 /nfs/dbraw/zinc/14/58/80/298145880.db2.gz HXIBFJAMRGNKRW-NSHDSACASA-N 2 2 269.389 0.069 10 0 CCAELP CCC[NH2+]C[C@@H](C)C[NH+]1CCN(CC[NH+](C)C)CC1 ZINC000061655000 519920009 /nfs/dbraw/zinc/92/00/09/519920009.db2.gz YLGYXNKREWZRFT-OAHLLOKOSA-N 3 2 270.465 0.801 10 0 CCAELP C[NH2+]Cc1ccc(C[NH+]2CCS(=O)CC2)cc1 ZINC000052516428 522115949 /nfs/dbraw/zinc/11/59/49/522115949.db2.gz SMESFNGLLILYOG-UHFFFAOYSA-N 2 2 252.383 0.970 10 0 CCAELP CCCNC(=O)[C@H](C)[NH2+]C[C@H](O)C[NH+](CC)CC ZINC000049203335 519892426 /nfs/dbraw/zinc/89/24/26/519892426.db2.gz UVBMOFLNOLXJPU-RYUDHWBXSA-N 2 2 259.394 0.193 10 0 CCAELP C[N@H+](Cc1ccoc1C[NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000052482819 523478522 /nfs/dbraw/zinc/47/85/22/523478522.db2.gz RPQUZUMDKKKVEC-JTQLQIEISA-N 2 2 258.343 0.357 10 0 CCAELP C[N@@H+](Cc1ccoc1C[NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000052482819 523478532 /nfs/dbraw/zinc/47/85/32/523478532.db2.gz RPQUZUMDKKKVEC-JTQLQIEISA-N 2 2 258.343 0.357 10 0 CCAELP C[N@H+](Cc1ccoc1C[NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000052482818 523478966 /nfs/dbraw/zinc/47/89/66/523478966.db2.gz RPQUZUMDKKKVEC-SNVBAGLBSA-N 2 2 258.343 0.357 10 0 CCAELP C[N@@H+](Cc1ccoc1C[NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000052482818 523478973 /nfs/dbraw/zinc/47/89/73/523478973.db2.gz RPQUZUMDKKKVEC-SNVBAGLBSA-N 2 2 258.343 0.357 10 0 CCAELP O[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]12)Cn1cccn1 ZINC000049567272 526280459 /nfs/dbraw/zinc/28/04/59/526280459.db2.gz RYZWQMAKPRHWAH-JHJVBQTASA-N 2 2 250.346 0.070 10 0 CCAELP O[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]12)Cn1cccn1 ZINC000049567272 526280465 /nfs/dbraw/zinc/28/04/65/526280465.db2.gz RYZWQMAKPRHWAH-JHJVBQTASA-N 2 2 250.346 0.070 10 0 CCAELP Cn1ncc(Br)c1C1=C[C@@H]([NH3+])C[NH2+]C1 ZINC000675078184 545321197 /nfs/dbraw/zinc/32/11/97/545321197.db2.gz NDHNFARUBAFHFG-SSDOTTSWSA-N 2 2 257.135 0.497 10 0 CCAELP Cn1ncc(Br)c1CC1=C[C@@H]([NH3+])C[NH2+]C1 ZINC000675079370 545321205 /nfs/dbraw/zinc/32/12/05/545321205.db2.gz YDUBMSLRLOXDQC-MRVPVSSYSA-N 2 2 271.162 0.582 10 0 CCAELP CCS(=O)(=O)CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261897950 535633716 /nfs/dbraw/zinc/63/37/16/535633716.db2.gz HHFCGRSNAJVMBZ-XQQFMLRXSA-N 2 2 290.429 0.168 10 0 CCAELP C[C@H]([NH2+]C1CC[NH+](CCO)CC1)c1cnn(C)c1 ZINC000399279838 581208954 /nfs/dbraw/zinc/20/89/54/581208954.db2.gz XAZPTRCWZGRYCV-NSHDSACASA-N 2 2 252.362 0.527 10 0 CCAELP C[N@@H+]1CC[C@]2(C1)C[NH2+]CCN2C(=O)OC(C)(C)C ZINC000096957889 185141357 /nfs/dbraw/zinc/14/13/57/185141357.db2.gz UYUYAQUFIXBBGV-CYBMUJFWSA-N 2 2 255.362 0.901 10 0 CCAELP C[N@H+]1CC[C@]2(C1)C[NH2+]CCN2C(=O)OC(C)(C)C ZINC000096957889 185141359 /nfs/dbraw/zinc/14/13/59/185141359.db2.gz UYUYAQUFIXBBGV-CYBMUJFWSA-N 2 2 255.362 0.901 10 0 CCAELP CC(C)CNC(=O)NC(=O)C[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261628846 137013249 /nfs/dbraw/zinc/01/32/49/137013249.db2.gz AYVLRNJGKPAZCB-NSHDSACASA-N 2 2 284.404 0.527 10 0 CCAELP CC(C)CNC(=O)NC(=O)C[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261628846 137013250 /nfs/dbraw/zinc/01/32/50/137013250.db2.gz AYVLRNJGKPAZCB-NSHDSACASA-N 2 2 284.404 0.527 10 0 CCAELP C[C@@H](C(=O)NCc1ccc(N(C)C)[nH+]c1)C1C[NH2+]C1 ZINC000262387559 137041709 /nfs/dbraw/zinc/04/17/09/137041709.db2.gz NWECTRJAYGZUCI-SNVBAGLBSA-N 2 2 262.357 0.619 10 0 CCAELP Cc1nn2c(C[NH2+]C[C@H]3C[NH2+]C[C@H]3O)c(C)nc2s1 ZINC000263133353 137058705 /nfs/dbraw/zinc/05/87/05/137058705.db2.gz BVJITDXBEPOBGS-GXSJLCMTSA-N 2 2 281.385 0.078 10 0 CCAELP CCOCCNC(=O)C[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261756097 137018233 /nfs/dbraw/zinc/01/82/33/137018233.db2.gz LLGRFKFWQNIRFI-LLVKDONJSA-N 2 2 257.378 0.198 10 0 CCAELP CCOCCNC(=O)C[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261756097 137018234 /nfs/dbraw/zinc/01/82/34/137018234.db2.gz LLGRFKFWQNIRFI-LLVKDONJSA-N 2 2 257.378 0.198 10 0 CCAELP Cc1ccc(Cc2nc([C@H]3C[NH2+]CCN3C)no2)c[nH+]1 ZINC000263300730 137063454 /nfs/dbraw/zinc/06/34/54/137063454.db2.gz XAQMKVBJBFMPTI-GFCCVEGCSA-N 2 2 273.340 0.940 10 0 CCAELP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cc(C(F)(F)F)n[nH]1 ZINC000263241481 137061216 /nfs/dbraw/zinc/06/12/16/137061216.db2.gz ORTTUJIHRBTVDH-HTRCEHHLSA-N 2 2 264.251 0.098 10 0 CCAELP CN(Cc1[nH+]ccn1C)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000054308186 348549271 /nfs/dbraw/zinc/54/92/71/348549271.db2.gz VNLFMGOVKHKXPB-LLVKDONJSA-N 2 2 250.346 0.768 10 0 CCAELP O=C([C@H]1CC[NH2+]C1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000062115130 348664689 /nfs/dbraw/zinc/66/46/89/348664689.db2.gz IFVVTAZNWRMZML-AWEZNQCLSA-N 2 2 274.368 0.335 10 0 CCAELP CN(Cc1[nH+]ccn1C)C(=O)[C@]1(C)CCCC[NH2+]1 ZINC000133281025 350330943 /nfs/dbraw/zinc/33/09/43/350330943.db2.gz BIPPCTOJJCKGRP-ZDUSSCGKSA-N 2 2 250.346 0.911 10 0 CCAELP CC1CC[NH+](CC(=O)NC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000135441743 350396847 /nfs/dbraw/zinc/39/68/47/350396847.db2.gz USHGLKRCOSBMNR-CYBMUJFWSA-N 2 2 269.389 0.165 10 0 CCAELP CC1CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000135441743 350396848 /nfs/dbraw/zinc/39/68/48/350396848.db2.gz USHGLKRCOSBMNR-CYBMUJFWSA-N 2 2 269.389 0.165 10 0 CCAELP CC(C)[N@H+](C)CC(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000173969184 351064273 /nfs/dbraw/zinc/06/42/73/351064273.db2.gz AJWMZQDZBVWRNO-UONOGXRCSA-N 2 2 283.416 0.506 10 0 CCAELP CC(C)[N@@H+](C)CC(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000173969184 351064278 /nfs/dbraw/zinc/06/42/78/351064278.db2.gz AJWMZQDZBVWRNO-UONOGXRCSA-N 2 2 283.416 0.506 10 0 CCAELP CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2C[NH+](C)CCO2)C1 ZINC000177872399 351215122 /nfs/dbraw/zinc/21/51/22/351215122.db2.gz CZECSVFNDOSCCS-UONOGXRCSA-N 2 2 298.431 0.300 10 0 CCAELP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2C[NH+](C)CCO2)C1 ZINC000177872399 351215128 /nfs/dbraw/zinc/21/51/28/351215128.db2.gz CZECSVFNDOSCCS-UONOGXRCSA-N 2 2 298.431 0.300 10 0 CCAELP CC[NH+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2C[N@H+](C)CCO2)C1 ZINC000177872399 351215133 /nfs/dbraw/zinc/21/51/33/351215133.db2.gz CZECSVFNDOSCCS-UONOGXRCSA-N 2 2 298.431 0.300 10 0 CCAELP CC[NH+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000177872399 351215138 /nfs/dbraw/zinc/21/51/38/351215138.db2.gz CZECSVFNDOSCCS-UONOGXRCSA-N 2 2 298.431 0.300 10 0 CCAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCOCCO ZINC000178331258 351228328 /nfs/dbraw/zinc/22/83/28/351228328.db2.gz LVVBXHRNSDFCEG-CYBMUJFWSA-N 2 2 253.346 0.665 10 0 CCAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCOCCO ZINC000178331258 351228331 /nfs/dbraw/zinc/22/83/31/351228331.db2.gz LVVBXHRNSDFCEG-CYBMUJFWSA-N 2 2 253.346 0.665 10 0 CCAELP C[NH+](C)C[C@@H]1CN(CCCn2cc[nH+]c2)CCO1 ZINC000183176202 351375757 /nfs/dbraw/zinc/37/57/57/351375757.db2.gz KBJJRYIAZMQQMY-CYBMUJFWSA-N 2 2 252.362 0.536 10 0 CCAELP CN(Cc1ccco1)C(=O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193650117 351838504 /nfs/dbraw/zinc/83/85/04/351838504.db2.gz ZNTHOFAMKUHIMS-BETUJISGSA-N 2 2 277.368 0.731 10 0 CCAELP CN(Cc1ccco1)C(=O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193650117 351838507 /nfs/dbraw/zinc/83/85/07/351838507.db2.gz ZNTHOFAMKUHIMS-BETUJISGSA-N 2 2 277.368 0.731 10 0 CCAELP CN(Cc1ccco1)C(=O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193650117 351838509 /nfs/dbraw/zinc/83/85/09/351838509.db2.gz ZNTHOFAMKUHIMS-BETUJISGSA-N 2 2 277.368 0.731 10 0 CCAELP CN(Cc1ccco1)C(=O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193650117 351838512 /nfs/dbraw/zinc/83/85/12/351838512.db2.gz ZNTHOFAMKUHIMS-BETUJISGSA-N 2 2 277.368 0.731 10 0 CCAELP CN(C)C(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515677 351915971 /nfs/dbraw/zinc/91/59/71/351915971.db2.gz LZHQHPFRZIJIQZ-GFCCVEGCSA-N 2 2 262.357 0.904 10 0 CCAELP CN(C)C(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515677 351915975 /nfs/dbraw/zinc/91/59/75/351915975.db2.gz LZHQHPFRZIJIQZ-GFCCVEGCSA-N 2 2 262.357 0.904 10 0 CCAELP CC1CCC([NH+]2CCN(C(=O)[C@@H]3COCC[NH2+]3)CC2)CC1 ZINC000236788521 352214773 /nfs/dbraw/zinc/21/47/73/352214773.db2.gz WPGXBBPZKRGJIZ-NRXISQOPSA-N 2 2 295.427 0.698 10 0 CCAELP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1COCC[NH2+]1 ZINC000246289328 352359768 /nfs/dbraw/zinc/35/97/68/352359768.db2.gz NESDDDXBZIHKSD-JHJVBQTASA-N 2 2 269.389 0.211 10 0 CCAELP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1COCC[NH2+]1 ZINC000246289328 352359769 /nfs/dbraw/zinc/35/97/69/352359769.db2.gz NESDDDXBZIHKSD-JHJVBQTASA-N 2 2 269.389 0.211 10 0 CCAELP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000247361939 352410716 /nfs/dbraw/zinc/41/07/16/352410716.db2.gz MNHZFLSQNBMJPS-KBPBESRZSA-N 2 2 298.431 0.299 10 0 CCAELP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000247361939 352410719 /nfs/dbraw/zinc/41/07/19/352410719.db2.gz MNHZFLSQNBMJPS-KBPBESRZSA-N 2 2 298.431 0.299 10 0 CCAELP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000247361939 352410721 /nfs/dbraw/zinc/41/07/21/352410721.db2.gz MNHZFLSQNBMJPS-KBPBESRZSA-N 2 2 298.431 0.299 10 0 CCAELP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000247361939 352410723 /nfs/dbraw/zinc/41/07/23/352410723.db2.gz MNHZFLSQNBMJPS-KBPBESRZSA-N 2 2 298.431 0.299 10 0 CCAELP C[C@H]1CC[N@H+](CC(=O)N2CCOCC2)C[C@H]1n1cc[nH+]c1 ZINC000247677959 352423826 /nfs/dbraw/zinc/42/38/26/352423826.db2.gz RMKTZDJTQWIABF-UONOGXRCSA-N 2 2 292.383 0.625 10 0 CCAELP C[C@H]1CC[N@@H+](CC(=O)N2CCOCC2)C[C@H]1n1cc[nH+]c1 ZINC000247677959 352423830 /nfs/dbraw/zinc/42/38/30/352423830.db2.gz RMKTZDJTQWIABF-UONOGXRCSA-N 2 2 292.383 0.625 10 0 CCAELP C[C@@H](CNC(=O)N1CC[C@@H](C[NH+](C)C)C1)[NH+]1CCOCC1 ZINC000129503506 137646680 /nfs/dbraw/zinc/64/66/80/137646680.db2.gz IVXKKAJNDDFOSO-KBPBESRZSA-N 2 2 298.431 0.300 10 0 CCAELP O=C(CCn1cc[nH+]c1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000329528778 202372583 /nfs/dbraw/zinc/37/25/83/202372583.db2.gz IFQNQBOCXVVTQY-UHFFFAOYSA-N 2 2 288.355 0.341 10 0 CCAELP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000329557799 202383459 /nfs/dbraw/zinc/38/34/59/202383459.db2.gz HUJXZVRRKPZMJR-CHWSQXEVSA-N 2 2 292.383 0.664 10 0 CCAELP COc1c(C[NH2+]C2CC([NH+](C)C)C2)c(C)nn1C ZINC000564739747 291297898 /nfs/dbraw/zinc/29/78/98/291297898.db2.gz HIWVHZVOAIINHB-UHFFFAOYSA-N 2 2 252.362 0.919 10 0 CCAELP C[C@H]1C[N@H+](Cc2nnnn2Cc2ccccc2)C[C@@H]1C[NH3+] ZINC000631841762 370708087 /nfs/dbraw/zinc/70/80/87/370708087.db2.gz PJQPGKRJAZOKSJ-JSGCOSHPSA-N 2 2 286.383 0.748 10 0 CCAELP C[C@H]1C[N@@H+](Cc2nnnn2Cc2ccccc2)C[C@@H]1C[NH3+] ZINC000631841762 370708089 /nfs/dbraw/zinc/70/80/89/370708089.db2.gz PJQPGKRJAZOKSJ-JSGCOSHPSA-N 2 2 286.383 0.748 10 0 CCAELP [NH3+]CC[N@@H+]1CCCOC[C@H]1c1ccccc1CCO ZINC000616646535 365405405 /nfs/dbraw/zinc/40/54/05/365405405.db2.gz XXPPQJQSWDMRID-HNNXBMFYSA-N 2 2 264.369 0.944 10 0 CCAELP [NH3+]CC[N@H+]1CCCOC[C@H]1c1ccccc1CCO ZINC000616646535 365405409 /nfs/dbraw/zinc/40/54/09/365405409.db2.gz XXPPQJQSWDMRID-HNNXBMFYSA-N 2 2 264.369 0.944 10 0 CCAELP CC(C)(C)OC(=O)NCC[N@@H+]1CCOCC[C@@H]1CC[NH3+] ZINC000616656499 365411152 /nfs/dbraw/zinc/41/11/52/365411152.db2.gz BLRDINNKWKWTPX-LBPRGKRZSA-N 2 2 287.404 0.951 10 0 CCAELP CC(C)(C)OC(=O)NCC[N@H+]1CCOCC[C@@H]1CC[NH3+] ZINC000616656499 365411157 /nfs/dbraw/zinc/41/11/57/365411157.db2.gz BLRDINNKWKWTPX-LBPRGKRZSA-N 2 2 287.404 0.951 10 0 CCAELP O=C(N[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000038043264 284031186 /nfs/dbraw/zinc/03/11/86/284031186.db2.gz NQWOZRNKHXMJMS-YUELXQCFSA-N 2 2 295.427 0.623 10 0 CCAELP O=C(N[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000038043264 284031190 /nfs/dbraw/zinc/03/11/90/284031190.db2.gz NQWOZRNKHXMJMS-YUELXQCFSA-N 2 2 295.427 0.623 10 0 CCAELP CC(C)[NH2+]C[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000076404208 184586002 /nfs/dbraw/zinc/58/60/02/184586002.db2.gz UDMKGCMOLXHQBZ-ZDUSSCGKSA-N 2 2 269.389 0.165 10 0 CCAELP C[C@H]1C[NH2+]CCN1C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000334968770 207386263 /nfs/dbraw/zinc/38/62/63/207386263.db2.gz VNSUIBPYILACCP-VHSXEESVSA-N 2 2 276.331 0.235 10 0 CCAELP CCOCC[N@@H+]1CCN(CC[NH+]2CCO[C@H](C)C2)C[C@H]1C ZINC000249216147 285106507 /nfs/dbraw/zinc/10/65/07/285106507.db2.gz FBBWMBDOYLUFBE-HZPDHXFCSA-N 2 2 299.459 0.750 10 0 CCAELP CCOCC[N@H+]1CCN(CC[NH+]2CCO[C@H](C)C2)C[C@H]1C ZINC000249216147 285106511 /nfs/dbraw/zinc/10/65/11/285106511.db2.gz FBBWMBDOYLUFBE-HZPDHXFCSA-N 2 2 299.459 0.750 10 0 CCAELP CCOCC[NH+]1CCN(CC[N@@H+]2CCO[C@H](C)C2)C[C@H]1C ZINC000249216147 285106513 /nfs/dbraw/zinc/10/65/13/285106513.db2.gz FBBWMBDOYLUFBE-HZPDHXFCSA-N 2 2 299.459 0.750 10 0 CCAELP COCC[N@@H+]1CCN(c2cc[nH+]cc2C(N)=O)C[C@@H]1C ZINC000302033276 389061857 /nfs/dbraw/zinc/06/18/57/389061857.db2.gz ODNBRWTZDCJJMU-NSHDSACASA-N 2 2 278.356 0.337 10 0 CCAELP COCC[N@H+]1CCN(c2cc[nH+]cc2C(N)=O)C[C@@H]1C ZINC000302033276 389061861 /nfs/dbraw/zinc/06/18/61/389061861.db2.gz ODNBRWTZDCJJMU-NSHDSACASA-N 2 2 278.356 0.337 10 0 CCAELP C[C@@H](O)C[N@@H+]1CCN(c2cc[nH+]cc2C(N)=O)C[C@H]1C ZINC000302029883 389062331 /nfs/dbraw/zinc/06/23/31/389062331.db2.gz MQWVGVHKYGKPKP-GHMZBOCLSA-N 2 2 278.356 0.072 10 0 CCAELP C[C@@H](O)C[N@H+]1CCN(c2cc[nH+]cc2C(N)=O)C[C@H]1C ZINC000302029883 389062335 /nfs/dbraw/zinc/06/23/35/389062335.db2.gz MQWVGVHKYGKPKP-GHMZBOCLSA-N 2 2 278.356 0.072 10 0 CCAELP CC(C)C[C@@H]([NH3+])C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000110371409 389101882 /nfs/dbraw/zinc/10/18/82/389101882.db2.gz TWQVPBSWQIWIIO-KGLIPLIRSA-N 2 2 255.406 0.766 10 0 CCAELP CC(C)C[C@@H]([NH3+])C[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000110371409 389101884 /nfs/dbraw/zinc/10/18/84/389101884.db2.gz TWQVPBSWQIWIIO-KGLIPLIRSA-N 2 2 255.406 0.766 10 0 CCAELP O=C1NC[C@@H]2C[N@H+](CCC[NH+]3CCCC3)CCN12 ZINC000162196484 389416145 /nfs/dbraw/zinc/41/61/45/389416145.db2.gz BACANICJEXWVBY-GFCCVEGCSA-N 2 2 252.362 0.182 10 0 CCAELP O=C1NC[C@@H]2C[N@@H+](CCC[NH+]3CCCC3)CCN12 ZINC000162196484 389416150 /nfs/dbraw/zinc/41/61/50/389416150.db2.gz BACANICJEXWVBY-GFCCVEGCSA-N 2 2 252.362 0.182 10 0 CCAELP Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CCO1 ZINC000333003829 389401457 /nfs/dbraw/zinc/40/14/57/389401457.db2.gz LDLZKOBZVNWOPB-SCRDCRAPSA-N 2 2 292.383 0.851 10 0 CCAELP Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CCO1 ZINC000333003829 389401459 /nfs/dbraw/zinc/40/14/59/389401459.db2.gz LDLZKOBZVNWOPB-SCRDCRAPSA-N 2 2 292.383 0.851 10 0 CCAELP COCC[N@@H+]1CCN(CCC[NH+]2CCOCC2)C[C@@H]1C ZINC000173678141 389507708 /nfs/dbraw/zinc/50/77/08/389507708.db2.gz WZSZJBFSAKPQOJ-HNNXBMFYSA-N 2 2 285.432 0.361 10 0 CCAELP COCC[N@H+]1CCN(CCC[NH+]2CCOCC2)C[C@@H]1C ZINC000173678141 389507713 /nfs/dbraw/zinc/50/77/13/389507713.db2.gz WZSZJBFSAKPQOJ-HNNXBMFYSA-N 2 2 285.432 0.361 10 0 CCAELP CC[C@H]1CN(Cc2c[nH+]cn2C)CC[N@@H+]1CCOC ZINC000177054854 389570951 /nfs/dbraw/zinc/57/09/51/389570951.db2.gz IOLZRDGYHIIZKJ-ZDUSSCGKSA-N 2 2 266.389 0.963 10 0 CCAELP CC[C@H]1CN(Cc2c[nH+]cn2C)CC[N@H+]1CCOC ZINC000177054854 389570956 /nfs/dbraw/zinc/57/09/56/389570956.db2.gz IOLZRDGYHIIZKJ-ZDUSSCGKSA-N 2 2 266.389 0.963 10 0 CCAELP CCc1nnc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)[nH]1 ZINC000181689742 389691172 /nfs/dbraw/zinc/69/11/72/389691172.db2.gz SNPAHBJZOCBCMF-GFCCVEGCSA-N 2 2 295.431 0.892 10 0 CCAELP CCc1nnc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)[nH]1 ZINC000181689742 389691175 /nfs/dbraw/zinc/69/11/75/389691175.db2.gz SNPAHBJZOCBCMF-GFCCVEGCSA-N 2 2 295.431 0.892 10 0 CCAELP Cc1cc(C[NH2+]C2CC[NH+](CCO)CC2)sn1 ZINC000404388672 389811073 /nfs/dbraw/zinc/81/10/73/389811073.db2.gz XDCRTHXSLCGJAQ-UHFFFAOYSA-N 2 2 255.387 0.998 10 0 CCAELP CNc1nc(N2CCCO[C@H](C[NH3+])C2)[nH+]c2ccccc21 ZINC000420287179 389978363 /nfs/dbraw/zinc/97/83/63/389978363.db2.gz RFZOGRIYOAAJGA-LLVKDONJSA-N 2 2 287.367 0.647 10 0 CCAELP COc1cc2c(c(C[NH2+]C[C@@H]3C[NH2+]C[C@@H]3O)c1)O[C@H](C)C2 ZINC000262153474 143942021 /nfs/dbraw/zinc/94/20/21/143942021.db2.gz RNTLZIAXHLLIMG-YVLXSGLVSA-N 2 2 292.379 0.689 10 0 CCAELP O=C([C@H]1COCC[NH2+]1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000088372411 304456587 /nfs/dbraw/zinc/45/65/87/304456587.db2.gz YTFFDMDJBNIHHU-QWHCGFSZSA-N 2 2 267.373 0.062 10 0 CCAELP CCOC(=O)N1CC[NH2+]C[C@H]1c1cc[nH+]c(N)c1 ZINC000616638583 411840028 /nfs/dbraw/zinc/84/00/28/411840028.db2.gz ZLTNRVJAVTUFMC-JTQLQIEISA-N 2 2 250.302 0.767 10 0 CCAELP NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(C[NH3+])cc1F ZINC000020294509 171135549 /nfs/dbraw/zinc/13/55/49/171135549.db2.gz BXGXAILJKYOPFM-GFCCVEGCSA-N 2 2 251.305 0.734 10 0 CCAELP NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(C[NH3+])cc1F ZINC000020294509 171135552 /nfs/dbraw/zinc/13/55/52/171135552.db2.gz BXGXAILJKYOPFM-GFCCVEGCSA-N 2 2 251.305 0.734 10 0 CCAELP CN(CCN1CC[NH2+]CC1)c1[nH]c2ccccc2[nH+]1 ZINC000071151127 176044908 /nfs/dbraw/zinc/04/49/08/176044908.db2.gz UIIISPKJNAAOOK-UHFFFAOYSA-N 2 2 259.357 0.904 10 0 CCAELP Cn1cc[nH+]c1CNS(=O)(=O)c1ccccc1C[NH3+] ZINC000071275966 176106876 /nfs/dbraw/zinc/10/68/76/176106876.db2.gz PBGCEEXSMLWEDR-UHFFFAOYSA-N 2 2 280.353 0.357 10 0 CCAELP CC(C)(CNC(=O)[C@H]1CCC[C@@H]1C[NH3+])[NH+]1CCOCC1 ZINC000089459355 544514136 /nfs/dbraw/zinc/51/41/36/544514136.db2.gz SEWYUGAJVZZPAA-OLZOCXBDSA-N 2 2 283.416 0.588 10 0 CCAELP CCOc1cc(N2CC[N@H+](C)C[C@H]2C[NH3+])nc(C)n1 ZINC000250640294 544923721 /nfs/dbraw/zinc/92/37/21/544923721.db2.gz XKCHNKBWKDREJW-LLVKDONJSA-N 2 2 265.361 0.263 10 0 CCAELP CCOc1cc(N2CC[N@@H+](C)C[C@H]2C[NH3+])nc(C)n1 ZINC000250640294 544923725 /nfs/dbraw/zinc/92/37/25/544923725.db2.gz XKCHNKBWKDREJW-LLVKDONJSA-N 2 2 265.361 0.263 10 0 CCAELP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000333826147 545043553 /nfs/dbraw/zinc/04/35/53/545043553.db2.gz LQFBCCCVYWWCJO-IGQOVBAYSA-N 2 2 296.415 0.241 10 0 CCAELP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000333826147 545043555 /nfs/dbraw/zinc/04/35/55/545043555.db2.gz LQFBCCCVYWWCJO-IGQOVBAYSA-N 2 2 296.415 0.241 10 0 CCAELP Cn1cc([C@H]2CCC[N@H+]2C[C@H]2C[NH2+]CCO2)cn1 ZINC000311129853 545012650 /nfs/dbraw/zinc/01/26/50/545012650.db2.gz WHNCHXXKGOKQQQ-CHWSQXEVSA-N 2 2 250.346 0.545 10 0 CCAELP C[N@H+]1C[C@H]2CN(c3ncnc4c3C[NH+](C)CC4)C[C@H]2C1 ZINC000278675001 277199956 /nfs/dbraw/zinc/19/99/56/277199956.db2.gz GHPUPHKOTMJGJY-TXEJJXNPSA-N 2 2 273.384 0.462 10 0 CCAELP C[N@@H+]1C[C@H]2CN(c3ncnc4c3C[NH+](C)CC4)C[C@H]2C1 ZINC000278675001 277199957 /nfs/dbraw/zinc/19/99/57/277199957.db2.gz GHPUPHKOTMJGJY-TXEJJXNPSA-N 2 2 273.384 0.462 10 0 CCAELP C[NH+]1C[C@H]2CN(c3ncnc4c3C[N@H+](C)CC4)C[C@H]2C1 ZINC000278675001 277199958 /nfs/dbraw/zinc/19/99/58/277199958.db2.gz GHPUPHKOTMJGJY-TXEJJXNPSA-N 2 2 273.384 0.462 10 0 CCAELP C[NH+]1C[C@H]2CN(c3ncnc4c3C[N@@H+](C)CC4)C[C@H]2C1 ZINC000278675001 277199961 /nfs/dbraw/zinc/19/99/61/277199961.db2.gz GHPUPHKOTMJGJY-TXEJJXNPSA-N 2 2 273.384 0.462 10 0 CCAELP CCC[C@@](C)([NH3+])C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000062976874 278906650 /nfs/dbraw/zinc/90/66/50/278906650.db2.gz ZSLZLPBQKRSSEA-TZMCWYRMSA-N 2 2 269.389 0.437 10 0 CCAELP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000247230851 279265339 /nfs/dbraw/zinc/26/53/39/279265339.db2.gz WYRRLMSKBIPCAC-HUUCEWRRSA-N 2 2 295.427 0.794 10 0 CCAELP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000247230851 279265341 /nfs/dbraw/zinc/26/53/41/279265341.db2.gz WYRRLMSKBIPCAC-HUUCEWRRSA-N 2 2 295.427 0.794 10 0 CCAELP [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000261750114 295314505 /nfs/dbraw/zinc/31/45/05/295314505.db2.gz IYYVFDWYIBTATL-QWHCGFSZSA-N 2 2 291.399 0.571 10 0 CCAELP C[C@H](C(=O)NC(C)(C)C)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193651736 298130712 /nfs/dbraw/zinc/13/07/12/298130712.db2.gz SXSRPSFBMYVDPQ-UTUOFQBUSA-N 2 2 253.390 0.783 10 0 CCAELP C[C@H](C(=O)NC(C)(C)C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193651736 298130714 /nfs/dbraw/zinc/13/07/14/298130714.db2.gz SXSRPSFBMYVDPQ-UTUOFQBUSA-N 2 2 253.390 0.783 10 0 CCAELP C[C@H](C(=O)NC(C)(C)C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193651736 298130715 /nfs/dbraw/zinc/13/07/15/298130715.db2.gz SXSRPSFBMYVDPQ-UTUOFQBUSA-N 2 2 253.390 0.783 10 0 CCAELP C[C@H](C(=O)NC(C)(C)C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193651736 298130718 /nfs/dbraw/zinc/13/07/18/298130718.db2.gz SXSRPSFBMYVDPQ-UTUOFQBUSA-N 2 2 253.390 0.783 10 0 CCAELP CCC[NH+]1CCN(CC[C@@H]([NH2+]C)C(=O)OC)CC1 ZINC000062439643 519858847 /nfs/dbraw/zinc/85/88/47/519858847.db2.gz KQYLUSDGFQREOI-GFCCVEGCSA-N 2 2 257.378 0.165 10 0 CCAELP CC[C@@H]1CO[C@@H](C)C[N@@H+]1CC[C@H]([NH2+]C1CC1)C(N)=O ZINC000062523403 523508557 /nfs/dbraw/zinc/50/85/57/523508557.db2.gz YKLRPMJOUGSADO-UHTWSYAYSA-N 2 2 269.389 0.482 10 0 CCAELP CC[C@@H]1CO[C@@H](C)C[N@H+]1CC[C@H]([NH2+]C1CC1)C(N)=O ZINC000062523403 523508560 /nfs/dbraw/zinc/50/85/60/523508560.db2.gz YKLRPMJOUGSADO-UHTWSYAYSA-N 2 2 269.389 0.482 10 0 CCAELP C[C@H]1C[NH2+]CCC[N@H+](C[C@@H]2CCS(=O)(=O)C2)C1 ZINC000050604624 524690708 /nfs/dbraw/zinc/69/07/08/524690708.db2.gz NZCQXJANBFNQER-RYUDHWBXSA-N 2 2 260.403 0.353 10 0 CCAELP C[C@H]1C[NH2+]CCC[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C1 ZINC000050604624 524690717 /nfs/dbraw/zinc/69/07/17/524690717.db2.gz NZCQXJANBFNQER-RYUDHWBXSA-N 2 2 260.403 0.353 10 0 CCAELP C[C@@H](O)C[N@@H+]1CCN(CCn2cc[nH+]c2)C[C@H]1C ZINC000161667700 525795649 /nfs/dbraw/zinc/79/56/49/525795649.db2.gz ORFPGBUNHMRHPY-CHWSQXEVSA-N 2 2 252.362 0.270 10 0 CCAELP C[C@@H](O)C[N@H+]1CCN(CCn2cc[nH+]c2)C[C@H]1C ZINC000161667700 525795660 /nfs/dbraw/zinc/79/56/60/525795660.db2.gz ORFPGBUNHMRHPY-CHWSQXEVSA-N 2 2 252.362 0.270 10 0 CCAELP Cn1cc([C@@H](C[NH3+])[N@@H+]2CCC[C@@H]2CCCO)cn1 ZINC000052757194 527292644 /nfs/dbraw/zinc/29/26/44/527292644.db2.gz BQTMRQQQHMUPER-CHWSQXEVSA-N 2 2 252.362 0.657 10 0 CCAELP Cn1cc([C@@H](C[NH3+])[N@H+]2CCC[C@@H]2CCCO)cn1 ZINC000052757194 527292653 /nfs/dbraw/zinc/29/26/53/527292653.db2.gz BQTMRQQQHMUPER-CHWSQXEVSA-N 2 2 252.362 0.657 10 0 CCAELP OCC[NH+]1CCC([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000399016279 581207097 /nfs/dbraw/zinc/20/70/97/581207097.db2.gz DHLHUUZNZZXSCJ-CABCVRRESA-N 3 2 267.417 0.660 10 0 CCAELP OCC[NH+]1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000399016279 581207098 /nfs/dbraw/zinc/20/70/98/581207098.db2.gz DHLHUUZNZZXSCJ-CABCVRRESA-N 3 2 267.417 0.660 10 0 CCAELP Cc1nocc1C[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000339196682 215005735 /nfs/dbraw/zinc/00/57/35/215005735.db2.gz BCKBFYJIOQKXDC-CYBMUJFWSA-N 2 2 253.346 0.919 10 0 CCAELP C[C@@H](C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1)[NH+]1CCOCC1 ZINC000261919779 137026059 /nfs/dbraw/zinc/02/60/59/137026059.db2.gz UWLDYLKTDRMKPO-NWDGAFQWSA-N 2 2 269.389 0.293 10 0 CCAELP COc1cc(C)nc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)c1 ZINC000262182962 137029820 /nfs/dbraw/zinc/02/98/20/137029820.db2.gz XCVBTIZPFKUKFD-GXFFZTMASA-N 2 2 251.330 0.069 10 0 CCAELP COc1cc(C)[nH+]c(CNC[C@H]2C[NH2+]C[C@H]2O)c1 ZINC000262182962 137029821 /nfs/dbraw/zinc/02/98/21/137029821.db2.gz XCVBTIZPFKUKFD-GXFFZTMASA-N 2 2 251.330 0.069 10 0 CCAELP CCOc1ccccc1N1CC[NH+](C[C@H](O)C[NH3+])CC1 ZINC000034419045 348149850 /nfs/dbraw/zinc/14/98/50/348149850.db2.gz LSQYVSBHTDOKQL-CYBMUJFWSA-N 2 2 279.384 0.527 10 0 CCAELP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000043304187 348307227 /nfs/dbraw/zinc/30/72/27/348307227.db2.gz HTEONMZYEMULJU-MCIONIFRSA-N 2 2 283.416 0.648 10 0 CCAELP CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1)[NH+](C)C ZINC000151566582 350504418 /nfs/dbraw/zinc/50/44/18/350504418.db2.gz JJXBSCOZZYAKCZ-OLZOCXBDSA-N 2 2 269.389 0.306 10 0 CCAELP CC[N@H+](CC(=O)N1CC[NH+](CCOC)[C@H](C)C1)C1CC1 ZINC000152749675 350540358 /nfs/dbraw/zinc/54/03/58/350540358.db2.gz CQJGVKZHQZLTOJ-CYBMUJFWSA-N 2 2 283.416 0.650 10 0 CCAELP CC[N@@H+](CC(=O)N1CC[NH+](CCOC)[C@H](C)C1)C1CC1 ZINC000152749675 350540361 /nfs/dbraw/zinc/54/03/61/350540361.db2.gz CQJGVKZHQZLTOJ-CYBMUJFWSA-N 2 2 283.416 0.650 10 0 CCAELP CC[NH+](CC(=O)N1CC[N@H+](CCOC)[C@H](C)C1)C1CC1 ZINC000152749675 350540362 /nfs/dbraw/zinc/54/03/62/350540362.db2.gz CQJGVKZHQZLTOJ-CYBMUJFWSA-N 2 2 283.416 0.650 10 0 CCAELP CC[NH+](CC(=O)N1CC[N@@H+](CCOC)[C@H](C)C1)C1CC1 ZINC000152749675 350540363 /nfs/dbraw/zinc/54/03/63/350540363.db2.gz CQJGVKZHQZLTOJ-CYBMUJFWSA-N 2 2 283.416 0.650 10 0 CCAELP [NH3+]Cc1c(C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000165092644 350786915 /nfs/dbraw/zinc/78/69/15/350786915.db2.gz FSCHJEKOWLISNO-UHFFFAOYSA-N 2 2 251.286 0.886 10 0 CCAELP C[C@H]1OCCC[C@@H]1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000188937138 351640506 /nfs/dbraw/zinc/64/05/06/351640506.db2.gz QSOCUAJCELYEJL-HIFRSBDPSA-N 2 2 297.443 0.944 10 0 CCAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H](C)c1nnnn1C ZINC000189510171 351685696 /nfs/dbraw/zinc/68/56/96/351685696.db2.gz DFOUWOMOHJABPD-JQWIXIFHSA-N 2 2 275.360 0.941 10 0 CCAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H](C)c1nnnn1C ZINC000189510171 351685699 /nfs/dbraw/zinc/68/56/99/351685699.db2.gz DFOUWOMOHJABPD-JQWIXIFHSA-N 2 2 275.360 0.941 10 0 CCAELP C[C@@H]1C[C@@H](C)CN(C(=O)C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C1 ZINC000193657873 351839500 /nfs/dbraw/zinc/83/95/00/351839500.db2.gz LPBQYRYPWKQRPF-TUVASFSCSA-N 2 2 279.428 0.984 10 0 CCAELP C[C@@H]1C[C@@H](C)CN(C(=O)C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C1 ZINC000193657873 351839504 /nfs/dbraw/zinc/83/95/04/351839504.db2.gz LPBQYRYPWKQRPF-TUVASFSCSA-N 2 2 279.428 0.984 10 0 CCAELP C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)C1 ZINC000193657873 351839507 /nfs/dbraw/zinc/83/95/07/351839507.db2.gz LPBQYRYPWKQRPF-TUVASFSCSA-N 2 2 279.428 0.984 10 0 CCAELP C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)C1 ZINC000193657873 351839509 /nfs/dbraw/zinc/83/95/09/351839509.db2.gz LPBQYRYPWKQRPF-TUVASFSCSA-N 2 2 279.428 0.984 10 0 CCAELP c1cnn(C[C@H]2C[N@H+](CCn3cc[nH+]c3)CCO2)c1 ZINC000122669074 187044759 /nfs/dbraw/zinc/04/47/59/187044759.db2.gz WKDQVWKDJNKIJH-CYBMUJFWSA-N 2 2 261.329 0.481 10 0 CCAELP c1cnn(C[C@H]2C[N@@H+](CCn3cc[nH+]c3)CCO2)c1 ZINC000122669074 187044760 /nfs/dbraw/zinc/04/47/60/187044760.db2.gz WKDQVWKDJNKIJH-CYBMUJFWSA-N 2 2 261.329 0.481 10 0 CCAELP c1[nH]nc([C@H]2CCC[NH2+]C2)c1C[NH+]1CCOCC1 ZINC000216634820 351943359 /nfs/dbraw/zinc/94/33/59/351943359.db2.gz WDSHLAFAJWSTLV-NSHDSACASA-N 2 2 250.346 0.709 10 0 CCAELP C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@@H]1n1cc[nH+]c1 ZINC000246819397 352384410 /nfs/dbraw/zinc/38/44/10/352384410.db2.gz AEFRVQLUMVTROY-HZSPNIEDSA-N 2 2 292.383 0.623 10 0 CCAELP C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@@H]1n1cc[nH+]c1 ZINC000246819397 352384413 /nfs/dbraw/zinc/38/44/13/352384413.db2.gz AEFRVQLUMVTROY-HZSPNIEDSA-N 2 2 292.383 0.623 10 0 CCAELP CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H]2C[NH+](C)CCO2)C1 ZINC000246885404 352386853 /nfs/dbraw/zinc/38/68/53/352386853.db2.gz CZECSVFNDOSCCS-KBPBESRZSA-N 2 2 298.431 0.300 10 0 CCAELP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H]2C[NH+](C)CCO2)C1 ZINC000246885404 352386855 /nfs/dbraw/zinc/38/68/55/352386855.db2.gz CZECSVFNDOSCCS-KBPBESRZSA-N 2 2 298.431 0.300 10 0 CCAELP CC[NH+](C)C[C@@H]1CCN(C(=O)NC[C@H]2C[N@H+](C)CCO2)C1 ZINC000246885404 352386856 /nfs/dbraw/zinc/38/68/56/352386856.db2.gz CZECSVFNDOSCCS-KBPBESRZSA-N 2 2 298.431 0.300 10 0 CCAELP CC[NH+](C)C[C@@H]1CCN(C(=O)NC[C@H]2C[N@@H+](C)CCO2)C1 ZINC000246885404 352386858 /nfs/dbraw/zinc/38/68/58/352386858.db2.gz CZECSVFNDOSCCS-KBPBESRZSA-N 2 2 298.431 0.300 10 0 CCAELP CC[NH+]1CCC([NH2+][C@H]2COC[C@H]2n2ccnn2)CC1 ZINC000328962637 202132886 /nfs/dbraw/zinc/13/28/86/202132886.db2.gz QYYGUYZQAADKJD-QWHCGFSZSA-N 2 2 265.361 0.292 10 0 CCAELP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cn(C)nn1)CCC2 ZINC000329278017 202264243 /nfs/dbraw/zinc/26/42/43/202264243.db2.gz LWJHLVMLAVAIFJ-NSHDSACASA-N 2 2 260.345 0.987 10 0 CCAELP [NH3+]CC[N@@H+]1CCOCC[C@@H]1c1ccc(CCO)cc1 ZINC000616657773 365412485 /nfs/dbraw/zinc/41/24/85/365412485.db2.gz OFRAOALRXHGRSR-OAHLLOKOSA-N 2 2 264.369 0.944 10 0 CCAELP [NH3+]CC[N@H+]1CCOCC[C@@H]1c1ccc(CCO)cc1 ZINC000616657773 365412487 /nfs/dbraw/zinc/41/24/87/365412487.db2.gz OFRAOALRXHGRSR-OAHLLOKOSA-N 2 2 264.369 0.944 10 0 CCAELP Cc1[nH]c(CN(C)C[C@H]2C[N@H+](C)CCO2)[nH+]c1C ZINC000628167241 369198949 /nfs/dbraw/zinc/19/89/49/369198949.db2.gz HYDIFNQGDVWTBN-GFCCVEGCSA-N 2 2 252.362 0.789 10 0 CCAELP Cc1[nH]c(CN(C)C[C@H]2C[N@@H+](C)CCO2)[nH+]c1C ZINC000628167241 369198955 /nfs/dbraw/zinc/19/89/55/369198955.db2.gz HYDIFNQGDVWTBN-GFCCVEGCSA-N 2 2 252.362 0.789 10 0 CCAELP C[C@H]1CN(C(=O)Cc2cn3ccccc3[nH+]2)C[C@H]1C[NH3+] ZINC000638892576 375430334 /nfs/dbraw/zinc/43/03/34/375430334.db2.gz JPOTYYLAIGGQMV-NWDGAFQWSA-N 2 2 272.352 0.930 10 0 CCAELP [NH3+]C[C@H]1CC[C@@H](C(=O)NCCc2cn3ccccc3[nH+]2)O1 ZINC000261916866 190045950 /nfs/dbraw/zinc/04/59/50/190045950.db2.gz YFGDFZFTQRXTFR-OLZOCXBDSA-N 2 2 288.351 0.499 10 0 CCAELP CCOCC[N@@H+]1CCN(CC[NH+]2CCO[C@@H](C)C2)C[C@H]1C ZINC000249216141 285106600 /nfs/dbraw/zinc/10/66/00/285106600.db2.gz FBBWMBDOYLUFBE-CVEARBPZSA-N 2 2 299.459 0.750 10 0 CCAELP CCOCC[N@H+]1CCN(CC[NH+]2CCO[C@@H](C)C2)C[C@H]1C ZINC000249216141 285106603 /nfs/dbraw/zinc/10/66/03/285106603.db2.gz FBBWMBDOYLUFBE-CVEARBPZSA-N 2 2 299.459 0.750 10 0 CCAELP CCOCC[NH+]1CCN(CC[N@@H+]2CCO[C@@H](C)C2)C[C@H]1C ZINC000249216141 285106607 /nfs/dbraw/zinc/10/66/07/285106607.db2.gz FBBWMBDOYLUFBE-CVEARBPZSA-N 2 2 299.459 0.750 10 0 CCAELP C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000392921918 285206841 /nfs/dbraw/zinc/20/68/41/285206841.db2.gz JVWDZHHWRGTUNG-ONGXEEELSA-N 2 2 265.361 0.243 10 0 CCAELP CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000194147042 285267531 /nfs/dbraw/zinc/26/75/31/285267531.db2.gz SQMAENOEESGXSY-KBPBESRZSA-N 2 2 298.431 0.491 10 0 CCAELP CC[N@H+]1CCC[C@H](NC(=O)N[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000194147042 285267533 /nfs/dbraw/zinc/26/75/33/285267533.db2.gz SQMAENOEESGXSY-KBPBESRZSA-N 2 2 298.431 0.491 10 0 CCAELP CCC[C@H](C(=O)N1CC[N@H+](CCO)[C@H](C)C1)[NH+](C)C ZINC000188724167 388938263 /nfs/dbraw/zinc/93/82/63/388938263.db2.gz FUXOWOWDGLABKU-CHWSQXEVSA-N 2 2 271.405 0.242 10 0 CCAELP CCC[C@H](C(=O)N1CC[N@@H+](CCO)[C@H](C)C1)[NH+](C)C ZINC000188724167 388938264 /nfs/dbraw/zinc/93/82/64/388938264.db2.gz FUXOWOWDGLABKU-CHWSQXEVSA-N 2 2 271.405 0.242 10 0 CCAELP O=C(C[C@@H]1CCC[NH2+]1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062976740 388940222 /nfs/dbraw/zinc/94/02/22/388940222.db2.gz BYXPKTNPTCACEK-STQMWFEESA-N 2 2 267.373 0.062 10 0 CCAELP [NH3+][C@@H]1CC[C@H](C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000227796151 389152307 /nfs/dbraw/zinc/15/23/07/389152307.db2.gz VZCUIVAZLHTUCX-YNEHKIRRSA-N 2 2 267.373 0.047 10 0 CCAELP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1cnn(C)c1 ZINC000151290617 389277052 /nfs/dbraw/zinc/27/70/52/389277052.db2.gz PSOATKIHGQBJTJ-TZMCWYRMSA-N 2 2 266.389 0.918 10 0 CCAELP COC[C@@H](O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000172433899 389488359 /nfs/dbraw/zinc/48/83/59/389488359.db2.gz GBEFJAPIFUBYJM-OLZOCXBDSA-N 2 2 265.357 0.823 10 0 CCAELP COC[C@@H](O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000172433899 389488362 /nfs/dbraw/zinc/48/83/62/389488362.db2.gz GBEFJAPIFUBYJM-OLZOCXBDSA-N 2 2 265.357 0.823 10 0 CCAELP OC[C@H]1CCCCN1c1cc(N[C@H]2CCC[NH2+]C2)nc[nH+]1 ZINC000333618795 389436760 /nfs/dbraw/zinc/43/67/60/389436760.db2.gz ZCGGPVPYKMREJQ-QWHCGFSZSA-N 2 2 291.399 0.992 10 0 CCAELP C[C@@H](O)C[N@@H+]1CCN(CCC[NH+]2CCOCC2)C[C@H]1C ZINC000173675320 389507203 /nfs/dbraw/zinc/50/72/03/389507203.db2.gz QYPWZPMDHQDRIU-HUUCEWRRSA-N 2 2 285.432 0.096 10 0 CCAELP C[C@@H](O)C[N@H+]1CCN(CCC[NH+]2CCOCC2)C[C@H]1C ZINC000173675320 389507206 /nfs/dbraw/zinc/50/72/06/389507206.db2.gz QYPWZPMDHQDRIU-HUUCEWRRSA-N 2 2 285.432 0.096 10 0 CCAELP C[NH+](C)[C@H](CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1)c1ccco1 ZINC000375516402 389683677 /nfs/dbraw/zinc/68/36/77/389683677.db2.gz ALEGPUAVWBLRTI-VHSXEESVSA-N 2 2 287.310 0.996 10 0 CCAELP CCCCn1nnnc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000389022381 389770890 /nfs/dbraw/zinc/77/08/90/389770890.db2.gz ZRUKXQYWSGMPSL-SRVKXCTJSA-N 2 2 264.377 0.642 10 0 CCAELP CCCCn1nnnc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000389022381 389770892 /nfs/dbraw/zinc/77/08/92/389770892.db2.gz ZRUKXQYWSGMPSL-SRVKXCTJSA-N 2 2 264.377 0.642 10 0 CCAELP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1c1cnn(C)c1 ZINC000382414210 397490885 /nfs/dbraw/zinc/49/08/85/397490885.db2.gz HBCNONXEDJRBAH-ZIAGYGMSSA-N 2 2 266.389 0.870 10 0 CCAELP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1c1cnn(C)c1 ZINC000382414210 397490889 /nfs/dbraw/zinc/49/08/89/397490889.db2.gz HBCNONXEDJRBAH-ZIAGYGMSSA-N 2 2 266.389 0.870 10 0 CCAELP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000382414210 397490893 /nfs/dbraw/zinc/49/08/93/397490893.db2.gz HBCNONXEDJRBAH-ZIAGYGMSSA-N 2 2 266.389 0.870 10 0 CCAELP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000382414210 397490895 /nfs/dbraw/zinc/49/08/95/397490895.db2.gz HBCNONXEDJRBAH-ZIAGYGMSSA-N 2 2 266.389 0.870 10 0 CCAELP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CCCN(CCO)C2)n1C ZINC000384485951 397495806 /nfs/dbraw/zinc/49/58/06/397495806.db2.gz IKAVQCJKRAZLCE-GFCCVEGCSA-N 2 2 281.404 0.032 10 0 CCAELP C[N@@H+](Cc1nccc(N)n1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328644067 411759260 /nfs/dbraw/zinc/75/92/60/411759260.db2.gz RPQXHFZBJPPBRC-NSHDSACASA-N 2 2 272.356 0.950 10 0 CCAELP C[N@H+](Cc1nccc(N)n1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328644067 411759266 /nfs/dbraw/zinc/75/92/66/411759266.db2.gz RPQXHFZBJPPBRC-NSHDSACASA-N 2 2 272.356 0.950 10 0 CCAELP CC[C@H](CC[NH3+])N1CC[NH+](CC(=O)N(C)CC)CC1 ZINC000037223163 173043931 /nfs/dbraw/zinc/04/39/31/173043931.db2.gz ROJZLIFNPKRPOW-CYBMUJFWSA-N 2 2 270.421 0.210 10 0 CCAELP C[C@H](CNC(=O)[C@@H]1CSC[NH2+]1)[NH+]1CCCCC1 ZINC000038029411 174020769 /nfs/dbraw/zinc/02/07/69/174020769.db2.gz QQYFNLWASYBBEK-MNOVXSKESA-N 2 2 257.403 0.640 10 0 CCAELP CCCN(CCO)C(=O)[C@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000038043314 174049770 /nfs/dbraw/zinc/04/97/70/174049770.db2.gz XRUFJNWMYITMRC-CQSZACIVSA-N 2 2 283.416 0.434 10 0 CCAELP CCCN(CCO)C(=O)[C@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000038043314 174049771 /nfs/dbraw/zinc/04/97/71/174049771.db2.gz XRUFJNWMYITMRC-CQSZACIVSA-N 2 2 283.416 0.434 10 0 CCAELP C[C@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCC[N@H+](C)C1 ZINC000038083204 174092526 /nfs/dbraw/zinc/09/25/26/174092526.db2.gz LOOADOLYYVIIKE-RWMBFGLXSA-N 2 2 274.430 0.741 10 0 CCAELP C[C@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCC[N@@H+](C)C1 ZINC000038083204 174092528 /nfs/dbraw/zinc/09/25/28/174092528.db2.gz LOOADOLYYVIIKE-RWMBFGLXSA-N 2 2 274.430 0.741 10 0 CCAELP C[NH+]1CCN(Nc2[nH+]cnc(NC3CCCC3)c2N)CC1 ZINC000040757029 174396490 /nfs/dbraw/zinc/39/64/90/174396490.db2.gz KGDBEWRYGJEOID-UHFFFAOYSA-N 2 2 291.403 0.988 10 0 CCAELP O=C(C[N@@H+]1CCO[C@H]2CCCC[C@@H]21)N1CC[NH2+]CC1 ZINC000043425526 175039909 /nfs/dbraw/zinc/03/99/09/175039909.db2.gz RFBGWMPAJRDUHV-STQMWFEESA-N 2 2 267.373 0.062 10 0 CCAELP O=C(C[N@H+]1CCO[C@H]2CCCC[C@@H]21)N1CC[NH2+]CC1 ZINC000043425526 175039911 /nfs/dbraw/zinc/03/99/11/175039911.db2.gz RFBGWMPAJRDUHV-STQMWFEESA-N 2 2 267.373 0.062 10 0 CCAELP O=C(CC[NH2+]C1CC1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062976823 544446857 /nfs/dbraw/zinc/44/68/57/544446857.db2.gz ZUFOSAIEXQWBLY-ZDUSSCGKSA-N 2 2 267.373 0.062 10 0 CCAELP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000262094967 544939226 /nfs/dbraw/zinc/93/92/26/544939226.db2.gz HVCULPPTSYPBOZ-WBVHZDCISA-N 3 2 289.423 0.821 10 0 CCAELP CN1C(=O)C[C@H]([N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)C1=O ZINC000157264317 277013648 /nfs/dbraw/zinc/01/36/48/277013648.db2.gz DVYUQXWHEORNQS-BNOWGMLFSA-N 2 2 291.395 0.692 10 0 CCAELP CN1C(=O)C[C@H]([N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)C1=O ZINC000157264317 277013649 /nfs/dbraw/zinc/01/36/49/277013649.db2.gz DVYUQXWHEORNQS-BNOWGMLFSA-N 2 2 291.395 0.692 10 0 CCAELP CN1C(=O)C[C@H]([NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C1=O ZINC000157264317 277013650 /nfs/dbraw/zinc/01/36/50/277013650.db2.gz DVYUQXWHEORNQS-BNOWGMLFSA-N 2 2 291.395 0.692 10 0 CCAELP CN1C(=O)C[C@H]([NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)C1=O ZINC000157264317 277013652 /nfs/dbraw/zinc/01/36/52/277013652.db2.gz DVYUQXWHEORNQS-BNOWGMLFSA-N 2 2 291.395 0.692 10 0 CCAELP C[C@@H]1C[C@H](NC[C@H]2C[NH+](C)CCO2)C[N@@H+]1C1CC1 ZINC000252728121 278026725 /nfs/dbraw/zinc/02/67/25/278026725.db2.gz ZQDNAOKLOPUQGR-DYEKYZERSA-N 2 2 253.390 0.532 10 0 CCAELP C[C@@H]1C[C@H](NC[C@H]2C[NH+](C)CCO2)C[N@H+]1C1CC1 ZINC000252728121 278026727 /nfs/dbraw/zinc/02/67/27/278026727.db2.gz ZQDNAOKLOPUQGR-DYEKYZERSA-N 2 2 253.390 0.532 10 0 CCAELP C[C@@H]1C[C@H](NC[C@H]2C[N@H+](C)CCO2)C[NH+]1C1CC1 ZINC000252728121 278026728 /nfs/dbraw/zinc/02/67/28/278026728.db2.gz ZQDNAOKLOPUQGR-DYEKYZERSA-N 2 2 253.390 0.532 10 0 CCAELP C[C@@H]1C[C@H](NC[C@H]2C[N@@H+](C)CCO2)C[NH+]1C1CC1 ZINC000252728121 278026729 /nfs/dbraw/zinc/02/67/29/278026729.db2.gz ZQDNAOKLOPUQGR-DYEKYZERSA-N 2 2 253.390 0.532 10 0 CCAELP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)N1CCn2cc[nH+]c2C1 ZINC000333503129 279035111 /nfs/dbraw/zinc/03/51/11/279035111.db2.gz FPHRJFGJSVKYOL-WDEREUQCSA-N 2 2 263.345 0.549 10 0 CCAELP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000245464184 288310262 /nfs/dbraw/zinc/31/02/62/288310262.db2.gz PFFKLEVJAVOEOD-AGIUHOORSA-N 2 2 267.373 0.012 10 0 CCAELP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000245464184 288310267 /nfs/dbraw/zinc/31/02/67/288310267.db2.gz PFFKLEVJAVOEOD-AGIUHOORSA-N 2 2 267.373 0.012 10 0 CCAELP C[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000245464184 288310272 /nfs/dbraw/zinc/31/02/72/288310272.db2.gz PFFKLEVJAVOEOD-AGIUHOORSA-N 2 2 267.373 0.012 10 0 CCAELP C[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000245464184 288310275 /nfs/dbraw/zinc/31/02/75/288310275.db2.gz PFFKLEVJAVOEOD-AGIUHOORSA-N 2 2 267.373 0.012 10 0 CCAELP [NH3+]CC1(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)CCCC1 ZINC000062976527 295220724 /nfs/dbraw/zinc/22/07/24/295220724.db2.gz GJKQEWISALEMPA-ZDUSSCGKSA-N 2 2 281.400 0.439 10 0 CCAELP C[C@H]1[NH2+]CCC[C@H]1NC(=O)N1CCn2cc[nH+]c2C1 ZINC000333503125 300575104 /nfs/dbraw/zinc/57/51/04/300575104.db2.gz FPHRJFGJSVKYOL-GHMZBOCLSA-N 2 2 263.345 0.549 10 0 CCAELP CC[NH+](CC)C[C@H](O)C[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000049235176 520737300 /nfs/dbraw/zinc/73/73/00/520737300.db2.gz DKAMZQRLXAZFJE-QWHCGFSZSA-N 3 2 254.378 0.564 10 0 CCAELP CCOC(=O)[C@@](C)([NH3+])CN1CC[NH+]([C@@H](C)CC)CC1 ZINC000055070684 521153444 /nfs/dbraw/zinc/15/34/44/521153444.db2.gz POQWEDWIOCYLRN-JSGCOSHPSA-N 2 2 271.405 0.683 10 0 CCAELP CCOC(=O)[C@H](CN1CC[NH+]([C@H](C)CC)CC1)[NH2+]C ZINC000055070466 521250203 /nfs/dbraw/zinc/25/02/03/521250203.db2.gz QXNFHZYVGBKREO-OLZOCXBDSA-N 2 2 271.405 0.554 10 0 CCAELP CC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(NN)[nH+]1 ZINC000051112489 521657648 /nfs/dbraw/zinc/65/76/48/521657648.db2.gz OFFAKSMRQZHMRA-JTQLQIEISA-N 2 2 263.345 0.581 10 0 CCAELP CC[N@H+]1CCC[C@H]1CNC(=O)c1cccc(NN)[nH+]1 ZINC000051112489 521657651 /nfs/dbraw/zinc/65/76/51/521657651.db2.gz OFFAKSMRQZHMRA-JTQLQIEISA-N 2 2 263.345 0.581 10 0 CCAELP C[C@H]1[NH2+]CCC[C@H]1C(=O)N(C)Cc1[nH+]ccn1C ZINC000094648316 349572496 /nfs/dbraw/zinc/57/24/96/349572496.db2.gz FAVZQFHRMPWCQI-GHMZBOCLSA-N 2 2 250.346 0.767 10 0 CCAELP C[C@H](CNC(=O)NC[C@@H]1C[N@H+](C)CCO1)C[NH+]1CCCC1 ZINC000105161240 349721806 /nfs/dbraw/zinc/72/18/06/349721806.db2.gz MFCHWCFNALDRHL-ZIAGYGMSSA-N 2 2 298.431 0.348 10 0 CCAELP C[C@H](CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1)C[NH+]1CCCC1 ZINC000105161240 349721809 /nfs/dbraw/zinc/72/18/09/349721809.db2.gz MFCHWCFNALDRHL-ZIAGYGMSSA-N 2 2 298.431 0.348 10 0 CCAELP C[NH+]1CCC(CCNC(=O)NC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000105245546 349721842 /nfs/dbraw/zinc/72/18/42/349721842.db2.gz WQFVYOUMCRVQNA-CQSZACIVSA-N 2 2 298.431 0.348 10 0 CCAELP C[NH+]1CCC(CCNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000105245546 349721845 /nfs/dbraw/zinc/72/18/45/349721845.db2.gz WQFVYOUMCRVQNA-CQSZACIVSA-N 2 2 298.431 0.348 10 0 CCAELP C[N@H+]1CCO[C@H](CNC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000104779725 349718025 /nfs/dbraw/zinc/71/80/25/349718025.db2.gz NRQFGMAECJHWOT-CQSZACIVSA-N 2 2 296.415 0.243 10 0 CCAELP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261609312 137012175 /nfs/dbraw/zinc/01/21/75/137012175.db2.gz BTJKPYSCODQWEB-AGIUHOORSA-N 2 2 283.416 0.729 10 0 CCAELP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261609312 137012176 /nfs/dbraw/zinc/01/21/76/137012176.db2.gz BTJKPYSCODQWEB-AGIUHOORSA-N 2 2 283.416 0.729 10 0 CCAELP C[C@H](CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+])[NH+]1CCOCC1 ZINC000261635221 137012924 /nfs/dbraw/zinc/01/29/24/137012924.db2.gz CCHUOMRSPMBISD-JHJVBQTASA-N 2 2 269.389 0.198 10 0 CCAELP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261767130 137019014 /nfs/dbraw/zinc/01/90/14/137019014.db2.gz KCPHBGWUGYNNPV-BFHYXJOUSA-N 2 2 282.432 0.114 10 0 CCAELP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cc(C(F)(F)F)n[nH]1 ZINC000263241485 137061361 /nfs/dbraw/zinc/06/13/61/137061361.db2.gz ORTTUJIHRBTVDH-XPUUQOCRSA-N 2 2 264.251 0.098 10 0 CCAELP Cc1ccc(Cc2nc([C@@H]3C[NH2+]CCN3C)no2)c[nH+]1 ZINC000263300731 137063329 /nfs/dbraw/zinc/06/33/29/137063329.db2.gz XAQMKVBJBFMPTI-LBPRGKRZSA-N 2 2 273.340 0.940 10 0 CCAELP C[N@@H+]1CCN(c2ncnc3ccccc32)[C@H](C[NH3+])C1 ZINC000122788846 350068901 /nfs/dbraw/zinc/06/89/01/350068901.db2.gz MVRFJVINLDQKKG-LLVKDONJSA-N 2 2 257.341 0.709 10 0 CCAELP C[N@H+]1CCN(c2ncnc3ccccc32)[C@H](C[NH3+])C1 ZINC000122788846 350068904 /nfs/dbraw/zinc/06/89/04/350068904.db2.gz MVRFJVINLDQKKG-LLVKDONJSA-N 2 2 257.341 0.709 10 0 CCAELP CCOCC[N@@H+]1CCN(C(=O)C[NH+](C)C)C[C@@H]1CC ZINC000172081204 350957521 /nfs/dbraw/zinc/95/75/21/350957521.db2.gz GBSCCLRGCKRXBG-ZDUSSCGKSA-N 2 2 271.405 0.507 10 0 CCAELP CCOCC[N@H+]1CCN(C(=O)C[NH+](C)C)C[C@@H]1CC ZINC000172081204 350957523 /nfs/dbraw/zinc/95/75/23/350957523.db2.gz GBSCCLRGCKRXBG-ZDUSSCGKSA-N 2 2 271.405 0.507 10 0 CCAELP CCNS(=O)(=O)[C@@H]1CC[N@H+](CCC[NH+]2CCCC2)C1 ZINC000179458176 351268644 /nfs/dbraw/zinc/26/86/44/351268644.db2.gz XWEJRMVOQXLEFS-CYBMUJFWSA-N 2 2 289.445 0.486 10 0 CCAELP CCNS(=O)(=O)[C@@H]1CC[N@@H+](CCC[NH+]2CCCC2)C1 ZINC000179458176 351268647 /nfs/dbraw/zinc/26/86/47/351268647.db2.gz XWEJRMVOQXLEFS-CYBMUJFWSA-N 2 2 289.445 0.486 10 0 CCAELP COCCCNC(=O)[C@H](C)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193620393 351836162 /nfs/dbraw/zinc/83/61/62/351836162.db2.gz SFKVSYPEAYMUPA-RWMBFGLXSA-N 2 2 269.389 0.021 10 0 CCAELP COCCCNC(=O)[C@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193620393 351836163 /nfs/dbraw/zinc/83/61/63/351836163.db2.gz SFKVSYPEAYMUPA-RWMBFGLXSA-N 2 2 269.389 0.021 10 0 CCAELP COCCCNC(=O)[C@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193620393 351836164 /nfs/dbraw/zinc/83/61/64/351836164.db2.gz SFKVSYPEAYMUPA-RWMBFGLXSA-N 2 2 269.389 0.021 10 0 CCAELP COCCCNC(=O)[C@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193620393 351836165 /nfs/dbraw/zinc/83/61/65/351836165.db2.gz SFKVSYPEAYMUPA-RWMBFGLXSA-N 2 2 269.389 0.021 10 0 CCAELP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000237531725 352270222 /nfs/dbraw/zinc/27/02/22/352270222.db2.gz DOGQRTKXXWVNJN-OLZOCXBDSA-N 2 2 283.416 0.602 10 0 CCAELP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000237531725 352270223 /nfs/dbraw/zinc/27/02/23/352270223.db2.gz DOGQRTKXXWVNJN-OLZOCXBDSA-N 2 2 283.416 0.602 10 0 CCAELP CCOCCNC(=O)C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245557029 352328127 /nfs/dbraw/zinc/32/81/27/352328127.db2.gz AQXONOKRWBVJMQ-KBPBESRZSA-N 2 2 294.399 0.919 10 0 CCAELP CCOCCNC(=O)C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245557029 352328132 /nfs/dbraw/zinc/32/81/32/352328132.db2.gz AQXONOKRWBVJMQ-KBPBESRZSA-N 2 2 294.399 0.919 10 0 CCAELP CCOCC[N@@H+]1CCN(Cc2[nH]cc[nH+]2)C[C@H]1C ZINC000247670525 352423271 /nfs/dbraw/zinc/42/32/71/352423271.db2.gz PSDZKQJLWAWLBX-GFCCVEGCSA-N 2 2 252.362 0.952 10 0 CCAELP CCOCC[N@H+]1CCN(Cc2[nH]cc[nH+]2)C[C@H]1C ZINC000247670525 352423274 /nfs/dbraw/zinc/42/32/74/352423274.db2.gz PSDZKQJLWAWLBX-GFCCVEGCSA-N 2 2 252.362 0.952 10 0 CCAELP CN(CC1CC[NH+](C)CC1)C(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000336469853 213338149 /nfs/dbraw/zinc/33/81/49/213338149.db2.gz UMDNDWUDVWNYFP-LLVKDONJSA-N 2 2 275.343 0.784 10 0 CCAELP C[N@@H+]1CCO[C@H](CNC(=O)CC[C@H]2CCC[NH2+]C2)C1 ZINC000252544272 352519118 /nfs/dbraw/zinc/51/91/18/352519118.db2.gz IBAYEKUYPPOTIL-CHWSQXEVSA-N 2 2 269.389 0.213 10 0 CCAELP C[N@H+]1CCO[C@H](CNC(=O)CC[C@H]2CCC[NH2+]C2)C1 ZINC000252544272 352519119 /nfs/dbraw/zinc/51/91/19/352519119.db2.gz IBAYEKUYPPOTIL-CHWSQXEVSA-N 2 2 269.389 0.213 10 0 CCAELP Cc1cc(N2C[C@H](O)[C@@H]([NH+](C)C)C2)nc(-c2ccncc2)[nH+]1 ZINC000365809055 357174625 /nfs/dbraw/zinc/17/46/25/357174625.db2.gz JHOYFFCARLMUEU-KBPBESRZSA-N 2 2 299.378 0.958 10 0 CCAELP CC(C)S(=O)(=O)CCC[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631839865 370706442 /nfs/dbraw/zinc/70/64/42/370706442.db2.gz LWMPYZVLHLXBSO-NWDGAFQWSA-N 2 2 262.419 0.726 10 0 CCAELP CC(C)S(=O)(=O)CCC[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631839865 370706445 /nfs/dbraw/zinc/70/64/45/370706445.db2.gz LWMPYZVLHLXBSO-NWDGAFQWSA-N 2 2 262.419 0.726 10 0 CCAELP CCCCn1nnnc1C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631843089 370708111 /nfs/dbraw/zinc/70/81/11/370708111.db2.gz JFVRUPXSNOCOIW-MNOVXSKESA-N 2 2 252.366 0.500 10 0 CCAELP CCCCn1nnnc1C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631843089 370708114 /nfs/dbraw/zinc/70/81/14/370708114.db2.gz JFVRUPXSNOCOIW-MNOVXSKESA-N 2 2 252.366 0.500 10 0 CCAELP [NH3+]CC[N@@H+]1CCOC[C@H](c2ccc(CO)cc2)C1 ZINC000616663726 365415657 /nfs/dbraw/zinc/41/56/57/365415657.db2.gz PIAGWNANVVQIGB-CQSZACIVSA-N 2 2 250.342 0.553 10 0 CCAELP [NH3+]CC[N@H+]1CCOC[C@H](c2ccc(CO)cc2)C1 ZINC000616663726 365415663 /nfs/dbraw/zinc/41/56/63/365415663.db2.gz PIAGWNANVVQIGB-CQSZACIVSA-N 2 2 250.342 0.553 10 0 CCAELP CC(C)(C)OC(=O)NCC[C@H]1CC[N@H+](CC[NH3+])CCO1 ZINC000616666272 365419266 /nfs/dbraw/zinc/41/92/66/365419266.db2.gz MCZFUDSNWPUNFJ-LBPRGKRZSA-N 2 2 287.404 0.951 10 0 CCAELP CC(C)(C)OC(=O)NCC[C@H]1CC[N@@H+](CC[NH3+])CCO1 ZINC000616666272 365419272 /nfs/dbraw/zinc/41/92/72/365419272.db2.gz MCZFUDSNWPUNFJ-LBPRGKRZSA-N 2 2 287.404 0.951 10 0 CCAELP C[C@@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])[C@@H](C)[NH+]1CCOCC1 ZINC000261761044 296096657 /nfs/dbraw/zinc/09/66/57/296096657.db2.gz NMAIMQKWFRPGCP-AAVRWANBSA-N 2 2 283.416 0.587 10 0 CCAELP CC(C)CC[C@@H]([NH3+])C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000638273921 374876208 /nfs/dbraw/zinc/87/62/08/374876208.db2.gz COGNPXJEOJQBEC-NWDGAFQWSA-N 2 2 257.378 0.197 10 0 CCAELP CC(C)CC[C@@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000638273921 374876212 /nfs/dbraw/zinc/87/62/12/374876212.db2.gz COGNPXJEOJQBEC-NWDGAFQWSA-N 2 2 257.378 0.197 10 0 CCAELP CC[C@@H]1CN(Cc2c[nH+]cn2C)CC[N@@H+]1C[C@H](C)O ZINC000246302669 285014243 /nfs/dbraw/zinc/01/42/43/285014243.db2.gz BWVDSVCSURPASY-QWHCGFSZSA-N 2 2 266.389 0.697 10 0 CCAELP CC[C@@H]1CN(Cc2c[nH+]cn2C)CC[N@H+]1C[C@H](C)O ZINC000246302669 285014245 /nfs/dbraw/zinc/01/42/45/285014245.db2.gz BWVDSVCSURPASY-QWHCGFSZSA-N 2 2 266.389 0.697 10 0 CCAELP C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000392921328 285206800 /nfs/dbraw/zinc/20/68/00/285206800.db2.gz JVWDZHHWRGTUNG-GXSJLCMTSA-N 2 2 265.361 0.243 10 0 CCAELP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000188774783 388941057 /nfs/dbraw/zinc/94/10/57/388941057.db2.gz HVQJOFQRNMJRGH-WDEREUQCSA-N 2 2 289.383 0.364 10 0 CCAELP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000188774783 388941060 /nfs/dbraw/zinc/94/10/60/388941060.db2.gz HVQJOFQRNMJRGH-WDEREUQCSA-N 2 2 289.383 0.364 10 0 CCAELP c1nc(N2CCSCC2)cc(NC[C@@H]2C[NH2+]CCO2)[nH+]1 ZINC000333670420 389439883 /nfs/dbraw/zinc/43/98/83/389439883.db2.gz MZEOCGCZEZSSTF-NSHDSACASA-N 2 2 295.412 0.430 10 0 CCAELP c1nc(NC[C@@H]2C[NH2+]CCO2)cc(N2CCSCC2)[nH+]1 ZINC000333670420 389439886 /nfs/dbraw/zinc/43/98/86/389439886.db2.gz MZEOCGCZEZSSTF-NSHDSACASA-N 2 2 295.412 0.430 10 0 CCAELP C[NH+](C)[C@H](CNC(=O)[C@H]1CC(F)(F)C[NH2+]1)c1ccco1 ZINC000375516400 389683811 /nfs/dbraw/zinc/68/38/11/389683811.db2.gz ALEGPUAVWBLRTI-NXEZZACHSA-N 2 2 287.310 0.996 10 0 CCAELP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1)c1ccco1 ZINC000375516401 389683945 /nfs/dbraw/zinc/68/39/45/389683945.db2.gz ALEGPUAVWBLRTI-UWVGGRQHSA-N 2 2 287.310 0.996 10 0 CCAELP O=C([C@H]1C[NH2+]CCC1(F)F)N1CCn2cc[nH+]c2C1 ZINC000649318157 390574390 /nfs/dbraw/zinc/57/43/90/390574390.db2.gz WCWSPJUXRKHEQE-SECBINFHSA-N 2 2 270.283 0.470 10 0 CCAELP NNc1[nH+]cnc(N2CCN(c3cccc[nH+]3)CC2)c1N ZINC000040783884 134871449 /nfs/dbraw/zinc/87/14/49/134871449.db2.gz ZUJKVOQGJNRYFO-UHFFFAOYSA-N 2 2 286.343 0.066 10 0 CCAELP C[N@H+](CC(=O)N1CC[NH2+]CC1)[C@@H]1CCOc2ccccc21 ZINC000038031087 174024761 /nfs/dbraw/zinc/02/47/61/174024761.db2.gz NRPTUMNQOOZBIC-CQSZACIVSA-N 2 2 289.379 0.874 10 0 CCAELP C[N@@H+](CC(=O)N1CC[NH2+]CC1)[C@@H]1CCOc2ccccc21 ZINC000038031087 174024762 /nfs/dbraw/zinc/02/47/62/174024762.db2.gz NRPTUMNQOOZBIC-CQSZACIVSA-N 2 2 289.379 0.874 10 0 CCAELP COc1ccc(F)cc1C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031379 174026313 /nfs/dbraw/zinc/02/63/13/174026313.db2.gz YMQDGFONVBHECR-UHFFFAOYSA-N 2 2 295.358 0.698 10 0 CCAELP COc1ccc(F)cc1C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031379 174026315 /nfs/dbraw/zinc/02/63/15/174026315.db2.gz YMQDGFONVBHECR-UHFFFAOYSA-N 2 2 295.358 0.698 10 0 CCAELP CN(C)c1[nH+]cc(C[NH2+][C@H]2CCC[C@@H](O)C2)n1C ZINC000070143548 544449258 /nfs/dbraw/zinc/44/92/58/544449258.db2.gz UBIYIDWBKNEPEI-CMPLNLGQSA-N 2 2 252.362 0.879 10 0 CCAELP C[C@@H]1CC[NH2+][C@@H](C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000127187883 544602873 /nfs/dbraw/zinc/60/28/73/544602873.db2.gz UAHIFCYQPXUDQX-HZSPNIEDSA-N 2 2 281.400 0.308 10 0 CCAELP C[C@@H]1CC[NH2+][C@H](C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000127187427 544603137 /nfs/dbraw/zinc/60/31/37/544603137.db2.gz UAHIFCYQPXUDQX-RDBSUJKOSA-N 2 2 281.400 0.308 10 0 CCAELP O=C(CC[C@@H]1CC[NH2+]C1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000134562850 544630584 /nfs/dbraw/zinc/63/05/84/544630584.db2.gz JPGOYBVGELBIDM-ZIAGYGMSSA-N 2 2 281.400 0.309 10 0 CCAELP CC[C@@H]1CN(C(=O)c2ccc(C[NH3+])o2)CC[N@@H+]1CCOC ZINC000168062567 544728462 /nfs/dbraw/zinc/72/84/62/544728462.db2.gz TYALXQMVJOUIMZ-GFCCVEGCSA-N 2 2 295.383 0.921 10 0 CCAELP CC[C@@H]1CN(C(=O)c2ccc(C[NH3+])o2)CC[N@H+]1CCOC ZINC000168062567 544728465 /nfs/dbraw/zinc/72/84/65/544728465.db2.gz TYALXQMVJOUIMZ-GFCCVEGCSA-N 2 2 295.383 0.921 10 0 CCAELP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000227375940 544834654 /nfs/dbraw/zinc/83/46/54/544834654.db2.gz VHAURKOEOVBXDR-MJBXVCDLSA-N 2 2 281.400 0.295 10 0 CCAELP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000251116119 544925605 /nfs/dbraw/zinc/92/56/05/544925605.db2.gz PZUKFHATROOLNG-AGIUHOORSA-N 2 2 269.389 0.198 10 0 CCAELP O=C(CC[C@@H]1CCC[NH2+]1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000261856052 544936642 /nfs/dbraw/zinc/93/66/42/544936642.db2.gz XFNHDHCCSQOYSV-UONOGXRCSA-N 2 2 281.400 0.452 10 0 CCAELP CC1(C)CN(C(=O)[C@@H]2CCC[N@@H+]2C2CC[NH2+]CC2)CCO1 ZINC000038043251 276125204 /nfs/dbraw/zinc/12/52/04/276125204.db2.gz PWCMMYBJYVTRSD-AWEZNQCLSA-N 2 2 295.427 0.840 10 0 CCAELP CC1(C)CN(C(=O)[C@@H]2CCC[N@H+]2C2CC[NH2+]CC2)CCO1 ZINC000038043251 276125206 /nfs/dbraw/zinc/12/52/06/276125206.db2.gz PWCMMYBJYVTRSD-AWEZNQCLSA-N 2 2 295.427 0.840 10 0 CCAELP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261767135 278191481 /nfs/dbraw/zinc/19/14/81/278191481.db2.gz KCPHBGWUGYNNPV-MGPQQGTHSA-N 2 2 282.432 0.114 10 0 CCAELP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000173980430 279088798 /nfs/dbraw/zinc/08/87/98/279088798.db2.gz AVZSUTOIMDXADC-ZIAGYGMSSA-N 2 2 283.416 0.507 10 0 CCAELP CN(CC[N@@H+]1CCC[NH2+]CC1)Cc1cscn1 ZINC000061275596 522830784 /nfs/dbraw/zinc/83/07/84/522830784.db2.gz BVHGNXWZZSFXPM-UHFFFAOYSA-N 2 2 254.403 0.870 10 0 CCAELP CN(CC[N@H+]1CCC[NH2+]CC1)Cc1cscn1 ZINC000061275596 522830794 /nfs/dbraw/zinc/83/07/94/522830794.db2.gz BVHGNXWZZSFXPM-UHFFFAOYSA-N 2 2 254.403 0.870 10 0 CCAELP C[N@H+](CCN1CCC[NH2+]CC1)Cc1cscn1 ZINC000061275596 522830800 /nfs/dbraw/zinc/83/08/00/522830800.db2.gz BVHGNXWZZSFXPM-UHFFFAOYSA-N 2 2 254.403 0.870 10 0 CCAELP C[N@@H+](CCN1CCC[NH2+]CC1)Cc1cscn1 ZINC000061275596 522830804 /nfs/dbraw/zinc/83/08/04/522830804.db2.gz BVHGNXWZZSFXPM-UHFFFAOYSA-N 2 2 254.403 0.870 10 0 CCAELP O=C(NC[C@@H](c1ccccc1)[NH+]1CCOCC1)C1C[NH2+]C1 ZINC000263347317 303786093 /nfs/dbraw/zinc/78/60/93/303786093.db2.gz ZORXBCGVSXBCKB-HNNXBMFYSA-N 2 2 289.379 0.396 10 0 CCAELP Cn1c[nH+]cc1CCCN1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000404018361 545091094 /nfs/dbraw/zinc/09/10/94/545091094.db2.gz SIKIVIVHFLTNIV-KGLIPLIRSA-N 2 2 264.373 0.415 10 0 CCAELP CC[NH2+][C@@H](CCN1CC[NH+](CC)CC1)C(=O)OC ZINC000062439749 520088930 /nfs/dbraw/zinc/08/89/30/520088930.db2.gz XKKNNWCBNCRINH-LBPRGKRZSA-N 2 2 257.378 0.165 10 0 CCAELP C[C@H]1CC[C@H]([NH3+])C[C@@H]1C(=O)NCC[NH+]1CCOCC1 ZINC000055123622 524415161 /nfs/dbraw/zinc/41/51/61/524415161.db2.gz NUIFJASNPXDIDK-AVGNSLFASA-N 2 2 269.389 0.198 10 0 CCAELP C[C@H]([NH3+])[C@@H]([NH+]1CCN(CC[NH+](C)C)CC1)C(C)(C)C ZINC000061642418 524836237 /nfs/dbraw/zinc/83/62/37/524836237.db2.gz GRTSNEREEKBFJN-UONOGXRCSA-N 3 2 270.465 0.928 10 0 CCAELP Cc1[nH+]ccn1CC[NH+]1CCN(CCC[NH3+])CC1 ZINC000049329595 527426148 /nfs/dbraw/zinc/42/61/48/527426148.db2.gz UOEDTHQKWWGBJW-UHFFFAOYSA-N 3 2 251.378 0.158 10 0 CCAELP Cc1[nH+]ccn1CCN1CC[NH+](CCC[NH3+])CC1 ZINC000049329595 527426152 /nfs/dbraw/zinc/42/61/52/527426152.db2.gz UOEDTHQKWWGBJW-UHFFFAOYSA-N 3 2 251.378 0.158 10 0 CCAELP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2COCC[NH2+]2)C1 ZINC000262678398 535819631 /nfs/dbraw/zinc/81/96/31/535819631.db2.gz USYONACQHLIRPW-ZIAGYGMSSA-N 2 2 297.443 0.992 10 0 CCAELP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2COCC[NH2+]2)C1 ZINC000262678398 535819632 /nfs/dbraw/zinc/81/96/32/535819632.db2.gz USYONACQHLIRPW-ZIAGYGMSSA-N 2 2 297.443 0.992 10 0 CCAELP OCC[NH+]1CCC([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000399016283 581207039 /nfs/dbraw/zinc/20/70/39/581207039.db2.gz DHLHUUZNZZXSCJ-LSDHHAIUSA-N 3 2 267.417 0.660 10 0 CCAELP OCC[NH+]1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000399016283 581207040 /nfs/dbraw/zinc/20/70/40/581207040.db2.gz DHLHUUZNZZXSCJ-LSDHHAIUSA-N 3 2 267.417 0.660 10 0 CCAELP COc1ccc(C[NH2+]C2CC[NH+](CCO)CC2)cn1 ZINC000399113999 581207488 /nfs/dbraw/zinc/20/74/88/581207488.db2.gz FJCGIEFSMWWNFK-UHFFFAOYSA-N 2 2 265.357 0.637 10 0 CCAELP COC(=O)[C@@H]1CCC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000312107198 625371511 /nfs/dbraw/zinc/37/15/11/625371511.db2.gz KRQAFCYAGVHYSF-CHWSQXEVSA-N 2 2 270.373 0.328 10 0 CCAELP COC(=O)[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000312107198 625371512 /nfs/dbraw/zinc/37/15/12/625371512.db2.gz KRQAFCYAGVHYSF-CHWSQXEVSA-N 2 2 270.373 0.328 10 0 CCAELP CC(C)(C)[NH2+]CCC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062976811 637191174 /nfs/dbraw/zinc/19/11/74/637191174.db2.gz WCDADYHAVRCTSA-ZDUSSCGKSA-N 2 2 283.416 0.698 10 0 CCAELP C[C@@H]1OCC[C@H]1NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000124839373 187157666 /nfs/dbraw/zinc/15/76/66/187157666.db2.gz ARYKKBXSMYKDAE-GXTWGEPZSA-N 2 2 298.431 0.489 10 0 CCAELP O=C1C[C@@]2(CN1)C[NH2+]CC[N@H+](Cc1ccccc1)C2 ZINC000096897778 185126005 /nfs/dbraw/zinc/12/60/05/185126005.db2.gz MFEVRPFYNIDZAT-HNNXBMFYSA-N 2 2 259.353 0.598 10 0 CCAELP O=C1C[C@@]2(CN1)C[NH2+]CC[N@@H+](Cc1ccccc1)C2 ZINC000096897778 185126008 /nfs/dbraw/zinc/12/60/08/185126008.db2.gz MFEVRPFYNIDZAT-HNNXBMFYSA-N 2 2 259.353 0.598 10 0 CCAELP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2nncn2C)CC1 ZINC000105862748 349726865 /nfs/dbraw/zinc/72/68/65/349726865.db2.gz QMDSLXGUOUDYDN-GFCCVEGCSA-N 2 2 281.404 0.340 10 0 CCAELP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2nncn2C)CC1 ZINC000105862748 349726867 /nfs/dbraw/zinc/72/68/67/349726867.db2.gz QMDSLXGUOUDYDN-GFCCVEGCSA-N 2 2 281.404 0.340 10 0 CCAELP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000252442052 137002984 /nfs/dbraw/zinc/00/29/84/137002984.db2.gz GDEQSKZIJFGREU-KBPBESRZSA-N 2 2 296.415 0.197 10 0 CCAELP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000252442052 137002985 /nfs/dbraw/zinc/00/29/85/137002985.db2.gz GDEQSKZIJFGREU-KBPBESRZSA-N 2 2 296.415 0.197 10 0 CCAELP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CCCC[C@H]1CO ZINC000261568500 137008825 /nfs/dbraw/zinc/00/88/25/137008825.db2.gz JEGMQIUYYBXZDP-XJFOESAGSA-N 2 2 256.390 0.894 10 0 CCAELP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2COCC[NH2+]2)C1 ZINC000262678397 137050122 /nfs/dbraw/zinc/05/01/22/137050122.db2.gz USYONACQHLIRPW-UONOGXRCSA-N 2 2 297.443 0.992 10 0 CCAELP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2COCC[NH2+]2)C1 ZINC000262678397 137050123 /nfs/dbraw/zinc/05/01/23/137050123.db2.gz USYONACQHLIRPW-UONOGXRCSA-N 2 2 297.443 0.992 10 0 CCAELP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1nccn1-c1ccccc1 ZINC000263137335 137058745 /nfs/dbraw/zinc/05/87/45/137058745.db2.gz CCSSCTGBQCESNL-GXTWGEPZSA-N 2 2 272.352 0.542 10 0 CCAELP CN1CC[NH2+]C[C@@H]1c1noc(Cc2cn3ccccc3[nH+]2)n1 ZINC000263116770 137058785 /nfs/dbraw/zinc/05/87/85/137058785.db2.gz AQTFIFFMHGHBJS-GFCCVEGCSA-N 2 2 298.350 0.884 10 0 CCAELP CCOC(=O)c1ccc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)o1 ZINC000263306879 137063523 /nfs/dbraw/zinc/06/35/23/137063523.db2.gz XZZSTQSERYUNTN-GXSJLCMTSA-N 2 2 268.313 0.126 10 0 CCAELP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC000263226262 137060856 /nfs/dbraw/zinc/06/08/56/137060856.db2.gz MVSDTDMFGDBJFP-IUODEOHRSA-N 2 2 272.352 0.542 10 0 CCAELP [NH3+]CC1CC[NH+](CN2C(=O)c3ccccc3C2=O)CC1 ZINC000044514004 348321430 /nfs/dbraw/zinc/32/14/30/348321430.db2.gz QAVDTEFSCGYHEG-UHFFFAOYSA-N 2 2 273.336 0.911 10 0 CCAELP C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2C[NH+](C)CCO2)CC[N@@H+]1C ZINC000246574244 352373922 /nfs/dbraw/zinc/37/39/22/352373922.db2.gz ZMALIEAJUMBBPG-MCIONIFRSA-N 2 2 298.431 0.441 10 0 CCAELP C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2C[NH+](C)CCO2)CC[N@H+]1C ZINC000246574244 352373923 /nfs/dbraw/zinc/37/39/23/352373923.db2.gz ZMALIEAJUMBBPG-MCIONIFRSA-N 2 2 298.431 0.441 10 0 CCAELP C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2C[N@H+](C)CCO2)CC[NH+]1C ZINC000246574244 352373926 /nfs/dbraw/zinc/37/39/26/352373926.db2.gz ZMALIEAJUMBBPG-MCIONIFRSA-N 2 2 298.431 0.441 10 0 CCAELP C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2C[N@@H+](C)CCO2)CC[NH+]1C ZINC000246574244 352373929 /nfs/dbraw/zinc/37/39/29/352373929.db2.gz ZMALIEAJUMBBPG-MCIONIFRSA-N 2 2 298.431 0.441 10 0 CCAELP C[N@H+](CC(=O)NC[C@H]1CCCO1)[C@H]1CCC[NH2+]CC1 ZINC000300280430 354062303 /nfs/dbraw/zinc/06/23/03/354062303.db2.gz TVBBZSBTJZJDFB-QWHCGFSZSA-N 2 2 269.389 0.356 10 0 CCAELP C[N@@H+](CC(=O)NC[C@H]1CCCO1)[C@H]1CCC[NH2+]CC1 ZINC000300280430 354062306 /nfs/dbraw/zinc/06/23/06/354062306.db2.gz TVBBZSBTJZJDFB-QWHCGFSZSA-N 2 2 269.389 0.356 10 0 CCAELP O=C(N[C@@H]1C[C@H]2C[NH2+][C@@H]1C2)c1ccn2cc[nH+]c2c1 ZINC000168222120 188647193 /nfs/dbraw/zinc/64/71/93/188647193.db2.gz LOUVKSSSAHKDBR-MVWJERBFSA-N 2 2 256.309 0.815 10 0 CCAELP Cn1nccc1[C@H]1[C@H]([NH2+]CCn2cc[nH+]c2)CC(=O)N1C ZINC000329107549 202191613 /nfs/dbraw/zinc/19/16/13/202191613.db2.gz FHKDDBSHCFDFEL-BXUZGUMPSA-N 2 2 288.355 0.178 10 0 CCAELP CCCCn1nnnc1C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631843090 370707385 /nfs/dbraw/zinc/70/73/85/370707385.db2.gz JFVRUPXSNOCOIW-QWRGUYRKSA-N 2 2 252.366 0.500 10 0 CCAELP CCCCn1nnnc1C[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631843090 370707391 /nfs/dbraw/zinc/70/73/91/370707391.db2.gz JFVRUPXSNOCOIW-QWRGUYRKSA-N 2 2 252.366 0.500 10 0 CCAELP CC(C)(C)OC(=O)NCC[N@@H+]1CCOC[C@H](C[NH3+])C1 ZINC000616664303 365416916 /nfs/dbraw/zinc/41/69/16/365416916.db2.gz VEPXQLFLJRGQFO-LLVKDONJSA-N 2 2 273.377 0.418 10 0 CCAELP CC(C)(C)OC(=O)NCC[N@H+]1CCOC[C@H](C[NH3+])C1 ZINC000616664303 365416921 /nfs/dbraw/zinc/41/69/21/365416921.db2.gz VEPXQLFLJRGQFO-LLVKDONJSA-N 2 2 273.377 0.418 10 0 CCAELP Cc1ccc2[nH+]c(CN(C)CC[N@H+](C)CCO)cn2c1 ZINC000623090316 367447985 /nfs/dbraw/zinc/44/79/85/367447985.db2.gz IFYUQWRUKUIZIV-UHFFFAOYSA-N 2 2 276.384 0.999 10 0 CCAELP Cc1ccc2[nH+]c(CN(C)CC[N@@H+](C)CCO)cn2c1 ZINC000623090316 367447987 /nfs/dbraw/zinc/44/79/87/367447987.db2.gz IFYUQWRUKUIZIV-UHFFFAOYSA-N 2 2 276.384 0.999 10 0 CCAELP O[C@H](CNCc1c[nH+]c2n1CCC2)C[NH+]1CCCCC1 ZINC000657326655 412960900 /nfs/dbraw/zinc/96/09/00/412960900.db2.gz QUKJOGLPIUNOEH-CQSZACIVSA-N 2 2 278.400 0.766 10 0 CCAELP CCC[C@H](C(=O)N1CC[NH+](C[C@H](C)O)CC1)[NH+](C)C ZINC000189732688 388970820 /nfs/dbraw/zinc/97/08/20/388970820.db2.gz NNFOXURUKBZBFY-QWHCGFSZSA-N 2 2 271.405 0.242 10 0 CCAELP CCC[C@H](C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1)[NH+](C)C ZINC000245795460 389218000 /nfs/dbraw/zinc/21/80/00/389218000.db2.gz OLGFCKYJZYLDHW-HZSPNIEDSA-N 2 2 285.432 0.942 10 0 CCAELP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCn2cc[nH+]c2)CC1 ZINC000161680945 389409115 /nfs/dbraw/zinc/40/91/15/389409115.db2.gz QFTSROUKHRRJOF-AWEZNQCLSA-N 3 2 280.416 0.908 10 0 CCAELP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CCn2cc[nH+]c2)CC1 ZINC000161680945 389409120 /nfs/dbraw/zinc/40/91/20/389409120.db2.gz QFTSROUKHRRJOF-AWEZNQCLSA-N 3 2 280.416 0.908 10 0 CCAELP CCOC(=O)CC[C@H](O)C[NH2+][C@H]1CC[N@H+](CC)C1 ZINC000389384046 389771404 /nfs/dbraw/zinc/77/14/04/389771404.db2.gz YDNRMVZUTKJDDR-RYUDHWBXSA-N 2 2 258.362 0.374 10 0 CCAELP CCOC(=O)CC[C@H](O)C[NH2+][C@H]1CC[N@@H+](CC)C1 ZINC000389384046 389771405 /nfs/dbraw/zinc/77/14/05/389771405.db2.gz YDNRMVZUTKJDDR-RYUDHWBXSA-N 2 2 258.362 0.374 10 0 CCAELP CO[C@@H]1C[NH2+][C@H](C(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000583618157 390298054 /nfs/dbraw/zinc/29/80/54/390298054.db2.gz GRZNPUBROXBHAP-RYUDHWBXSA-N 2 2 274.324 0.327 10 0 CCAELP CC[NH+]1CCC(CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000645720850 390479227 /nfs/dbraw/zinc/47/92/27/390479227.db2.gz KQQLQNNXACFLTC-LLVKDONJSA-N 2 2 275.343 0.832 10 0 CCAELP O=C(CC1CC[NH2+]CC1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000062976682 411686771 /nfs/dbraw/zinc/68/67/71/411686771.db2.gz PCQZPXMKZYLYII-CQSZACIVSA-N 2 2 281.400 0.309 10 0 CCAELP C[NH+]1CCN(S(=O)(=O)c2ccc(CCC[NH3+])cc2)CC1 ZINC000020269701 171125651 /nfs/dbraw/zinc/12/56/51/171125651.db2.gz KETDETNMPFMKHQ-UHFFFAOYSA-N 2 2 297.424 0.514 10 0 CCAELP O=C(NC[C@@H]1CCCOC1)[C@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000038046130 174054499 /nfs/dbraw/zinc/05/44/99/174054499.db2.gz NCEMPNLMAYWFLU-DZGCQCFKSA-N 2 2 295.427 0.746 10 0 CCAELP O=C(NC[C@@H]1CCCOC1)[C@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000038046130 174054500 /nfs/dbraw/zinc/05/45/00/174054500.db2.gz NCEMPNLMAYWFLU-DZGCQCFKSA-N 2 2 295.427 0.746 10 0 CCAELP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC000038083329 174092738 /nfs/dbraw/zinc/09/27/38/174092738.db2.gz XKGHREMCAPGLPT-VOAKCMCISA-N 2 2 274.430 0.739 10 0 CCAELP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC000038083329 174092740 /nfs/dbraw/zinc/09/27/40/174092740.db2.gz XKGHREMCAPGLPT-VOAKCMCISA-N 2 2 274.430 0.739 10 0 CCAELP CCN1C(=O)C[C@H]([NH2+]C2CC[NH+](CC)CC2)C1=O ZINC000038098311 174113761 /nfs/dbraw/zinc/11/37/61/174113761.db2.gz YZXPCNYGSYCOAT-NSHDSACASA-N 2 2 253.346 0.208 10 0 CCAELP C[N@@H+]1CCO[C@H](CNC(=O)c2cc3c(s2)CC[NH2+]C3)C1 ZINC000662425652 414717155 /nfs/dbraw/zinc/71/71/55/414717155.db2.gz GLMWVIONPBEROY-LLVKDONJSA-N 2 2 295.408 0.454 10 0 CCAELP C[N@H+]1CCO[C@H](CNC(=O)c2cc3c(s2)CC[NH2+]C3)C1 ZINC000662425652 414717156 /nfs/dbraw/zinc/71/71/56/414717156.db2.gz GLMWVIONPBEROY-LLVKDONJSA-N 2 2 295.408 0.454 10 0 CCAELP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000662622788 414733685 /nfs/dbraw/zinc/73/36/85/414733685.db2.gz UBRXDGHGPBDDDM-UWVGGRQHSA-N 2 2 275.343 0.973 10 0 CCAELP CC(C)(C)[N@H+]1CC[C@H](NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000662622788 414733686 /nfs/dbraw/zinc/73/36/86/414733686.db2.gz UBRXDGHGPBDDDM-UWVGGRQHSA-N 2 2 275.343 0.973 10 0 CCAELP C[NH2+]C[C@H]1CC[N@H+](CC(=O)N[C@H](C)c2ccco2)C1 ZINC000071147517 176043648 /nfs/dbraw/zinc/04/36/48/176043648.db2.gz DQFBEIZBPHYZTK-VXGBXAGGSA-N 2 2 265.357 0.998 10 0 CCAELP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)N[C@H](C)c2ccco2)C1 ZINC000071147517 176043650 /nfs/dbraw/zinc/04/36/50/176043650.db2.gz DQFBEIZBPHYZTK-VXGBXAGGSA-N 2 2 265.357 0.998 10 0 CCAELP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CCC[C@@H](O)C2)n1C ZINC000070143546 544448740 /nfs/dbraw/zinc/44/87/40/544448740.db2.gz UBIYIDWBKNEPEI-ZYHUDNBSSA-N 2 2 252.362 0.879 10 0 CCAELP C[C@@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)[NH+]1CCOCC1 ZINC000333941444 545044824 /nfs/dbraw/zinc/04/48/24/545044824.db2.gz OZKUUSCYZWNSII-MJBXVCDLSA-N 2 2 296.415 0.243 10 0 CCAELP CC1(C)CN(C(=O)[C@H]2CCC[N@@H+]2C2CC[NH2+]CC2)CCO1 ZINC000038043252 278316853 /nfs/dbraw/zinc/31/68/53/278316853.db2.gz PWCMMYBJYVTRSD-CQSZACIVSA-N 2 2 295.427 0.840 10 0 CCAELP CC1(C)CN(C(=O)[C@H]2CCC[N@H+]2C2CC[NH2+]CC2)CCO1 ZINC000038043252 278316856 /nfs/dbraw/zinc/31/68/56/278316856.db2.gz PWCMMYBJYVTRSD-CQSZACIVSA-N 2 2 295.427 0.840 10 0 CCAELP [NH3+][C@@H]1CCC[C@@H](C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000062976720 295303835 /nfs/dbraw/zinc/30/38/35/295303835.db2.gz KDNKILZZDYTIKA-MCIONIFRSA-N 2 2 281.400 0.437 10 0 CCAELP CC(C)n1nnnc1C[NH+]1CCC(CC[NH3+])CC1 ZINC000582971135 329296321 /nfs/dbraw/zinc/29/63/21/329296321.db2.gz WRJVEOADBFHNMJ-UHFFFAOYSA-N 2 2 252.366 0.815 10 0 CCAELP CS(=O)(=O)N1CC[NH+](CC2(C[NH3+])CCCCC2)CC1 ZINC000062096234 525176353 /nfs/dbraw/zinc/17/63/53/525176353.db2.gz PQAXDSJJSZVLJU-UHFFFAOYSA-N 2 2 289.445 0.473 10 0 CCAELP Cc1oc(C[N@@H+](C)[C@@H]2CCS(=O)(=O)C2)cc1C[NH3+] ZINC000052482804 526768521 /nfs/dbraw/zinc/76/85/21/526768521.db2.gz YQGACXQMUFVQEH-LLVKDONJSA-N 2 2 272.370 0.666 10 0 CCAELP Cc1oc(C[N@H+](C)[C@@H]2CCS(=O)(=O)C2)cc1C[NH3+] ZINC000052482804 526768523 /nfs/dbraw/zinc/76/85/23/526768523.db2.gz YQGACXQMUFVQEH-LLVKDONJSA-N 2 2 272.370 0.666 10 0 CCAELP O=S1(=O)CC[C@@H](C[NH2+]CCC[NH+]2CCCC2)C1 ZINC000049332584 527307498 /nfs/dbraw/zinc/30/74/98/527307498.db2.gz GRWOYPIAEFQDOH-LBPRGKRZSA-N 2 2 260.403 0.497 10 0 CCAELP CC(=O)CC[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000106124097 349729942 /nfs/dbraw/zinc/72/99/42/349729942.db2.gz ZWKNYTUWMIDPGO-MRXNPFEDSA-N 2 2 297.443 0.692 10 0 CCAELP CC(=O)CC[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000106124097 349729944 /nfs/dbraw/zinc/72/99/44/349729944.db2.gz ZWKNYTUWMIDPGO-MRXNPFEDSA-N 2 2 297.443 0.692 10 0 CCAELP CC1(C)C[N@H+](CCn2nc3ccccn3c2=O)CC[C@@H]1[NH3+] ZINC000261639682 137013696 /nfs/dbraw/zinc/01/36/96/137013696.db2.gz IMUQAENGYJUBAM-LBPRGKRZSA-N 2 2 289.383 0.555 10 0 CCAELP CC1(C)C[N@@H+](CCn2nc3ccccn3c2=O)CC[C@@H]1[NH3+] ZINC000261639682 137013697 /nfs/dbraw/zinc/01/36/97/137013697.db2.gz IMUQAENGYJUBAM-LBPRGKRZSA-N 2 2 289.383 0.555 10 0 CCAELP COCCC(=O)N1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000261646584 137014099 /nfs/dbraw/zinc/01/40/99/137014099.db2.gz DQCWKTFIHAWGMM-CYBMUJFWSA-N 2 2 269.389 0.167 10 0 CCAELP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cccc2c1OCO2 ZINC000263168148 137059535 /nfs/dbraw/zinc/05/95/35/137059535.db2.gz FJSLIPDWICZEQK-QWRGUYRKSA-N 2 2 250.298 0.085 10 0 CCAELP COc1cccc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)c1OC ZINC000262163342 137028652 /nfs/dbraw/zinc/02/86/52/137028652.db2.gz TUDCPPLRYVEVHM-NWDGAFQWSA-N 2 2 266.341 0.374 10 0 CCAELP C[C@@H]1CCc2nc(C[NH2+]C[C@@H]3C[NH2+]C[C@@H]3O)sc2C1 ZINC000263270599 137062171 /nfs/dbraw/zinc/06/21/71/137062171.db2.gz SBXMWLUHAFHLSW-SCVCMEIPSA-N 2 2 281.425 0.938 10 0 CCAELP O=C(NCc1cc[nH+]c(N2CCCC2)c1)C1C[NH2+]C1 ZINC000263325658 137064213 /nfs/dbraw/zinc/06/42/13/137064213.db2.gz SRHGUAFGZWRRAG-UHFFFAOYSA-N 2 2 260.341 0.517 10 0 CCAELP CC(C)S(=O)(=O)CC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261556129 535095039 /nfs/dbraw/zinc/09/50/39/535095039.db2.gz QIRFVQGNDJQAFX-LBPRGKRZSA-N 2 2 260.403 0.495 10 0 CCAELP CC(C)S(=O)(=O)CC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261556129 535095047 /nfs/dbraw/zinc/09/50/47/535095047.db2.gz QIRFVQGNDJQAFX-LBPRGKRZSA-N 2 2 260.403 0.495 10 0 CCAELP CC(C)S(=O)(=O)CC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261560539 535094553 /nfs/dbraw/zinc/09/45/53/535094553.db2.gz UTPFJDPWBWUAJR-SRVKXCTJSA-N 2 2 260.403 0.479 10 0 CCAELP CC(C)S(=O)(=O)CC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261560539 535094554 /nfs/dbraw/zinc/09/45/54/535094554.db2.gz UTPFJDPWBWUAJR-SRVKXCTJSA-N 2 2 260.403 0.479 10 0 CCAELP O=C(NC1CCN(c2cccc[nH+]2)CC1)[C@H]1COCC[NH2+]1 ZINC000088358294 349362020 /nfs/dbraw/zinc/36/20/20/349362020.db2.gz NGYBZSSBTNALSI-CYBMUJFWSA-N 2 2 290.367 0.155 10 0 CCAELP C[NH+]1CCN(C(=O)C[NH+]2CCC(c3cc[nH]n3)CC2)CC1 ZINC000120923282 350013466 /nfs/dbraw/zinc/01/34/66/350013466.db2.gz SYKNDQXDFXPIDD-UHFFFAOYSA-N 2 2 291.399 0.363 10 0 CCAELP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[NH+](C2CC2)CCO1 ZINC000127302911 350166801 /nfs/dbraw/zinc/16/68/01/350166801.db2.gz NCXZDIIAXGVVLF-HUUCEWRRSA-N 2 2 295.427 0.840 10 0 CCAELP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[NH+](C2CC2)CCO1 ZINC000127302911 350166806 /nfs/dbraw/zinc/16/68/06/350166806.db2.gz NCXZDIIAXGVVLF-HUUCEWRRSA-N 2 2 295.427 0.840 10 0 CCAELP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000127302911 350166810 /nfs/dbraw/zinc/16/68/10/350166810.db2.gz NCXZDIIAXGVVLF-HUUCEWRRSA-N 2 2 295.427 0.840 10 0 CCAELP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000127302911 350166814 /nfs/dbraw/zinc/16/68/14/350166814.db2.gz NCXZDIIAXGVVLF-HUUCEWRRSA-N 2 2 295.427 0.840 10 0 CCAELP C[C@@H](CNC(=O)N1CC[C@H](C[NH+](C)C)C1)[NH+]1CCOCC1 ZINC000129503077 350216445 /nfs/dbraw/zinc/21/64/45/350216445.db2.gz IVXKKAJNDDFOSO-UONOGXRCSA-N 2 2 298.431 0.300 10 0 CCAELP C[C@H]([C@H](C)NC(=O)NC[C@@H]1CCC[N@@H+]1C)[NH+]1CCOCC1 ZINC000105191675 186045727 /nfs/dbraw/zinc/04/57/27/186045727.db2.gz FVYNOYGQPQJTTK-MJBXVCDLSA-N 2 2 298.431 0.489 10 0 CCAELP C[C@H]([C@H](C)NC(=O)NC[C@@H]1CCC[N@H+]1C)[NH+]1CCOCC1 ZINC000105191675 186045729 /nfs/dbraw/zinc/04/57/29/186045729.db2.gz FVYNOYGQPQJTTK-MJBXVCDLSA-N 2 2 298.431 0.489 10 0 CCAELP CC[C@H]1CN(Cc2[nH]cc[nH+]2)CC[N@@H+]1C[C@@H](C)O ZINC000111227895 186371783 /nfs/dbraw/zinc/37/17/83/186371783.db2.gz FGLLJZVNRSKRLY-NEPJUHHUSA-N 2 2 252.362 0.687 10 0 CCAELP CC[C@H]1CN(Cc2[nH]cc[nH+]2)CC[N@H+]1C[C@@H](C)O ZINC000111227895 186371785 /nfs/dbraw/zinc/37/17/85/186371785.db2.gz FGLLJZVNRSKRLY-NEPJUHHUSA-N 2 2 252.362 0.687 10 0 CCAELP CO[C@@H]1C[NH2+][C@@H](C(=O)NCc2ccc[nH+]c2N(C)C)C1 ZINC000187908175 351562846 /nfs/dbraw/zinc/56/28/46/351562846.db2.gz MSHHDMHPWDBFTM-NWDGAFQWSA-N 2 2 278.356 0.141 10 0 CCAELP C[N@H+]1C[C@@H]2C[NH+](CC(=O)N3CCCCC3)C[C@@H]2C1 ZINC000193629547 351836806 /nfs/dbraw/zinc/83/68/06/351836806.db2.gz CLQLSVKNTMJUQR-BETUJISGSA-N 2 2 251.374 0.492 10 0 CCAELP C[N@@H+]1C[C@@H]2C[NH+](CC(=O)N3CCCCC3)C[C@@H]2C1 ZINC000193629547 351836809 /nfs/dbraw/zinc/83/68/09/351836809.db2.gz CLQLSVKNTMJUQR-BETUJISGSA-N 2 2 251.374 0.492 10 0 CCAELP C[NH+]1C[C@@H]2C[N@@H+](CC(=O)N3CCCCC3)C[C@@H]2C1 ZINC000193629547 351836811 /nfs/dbraw/zinc/83/68/11/351836811.db2.gz CLQLSVKNTMJUQR-BETUJISGSA-N 2 2 251.374 0.492 10 0 CCAELP C[NH+]1C[C@@H]2C[N@H+](CC(=O)N3CCCCC3)C[C@@H]2C1 ZINC000193629547 351836814 /nfs/dbraw/zinc/83/68/14/351836814.db2.gz CLQLSVKNTMJUQR-BETUJISGSA-N 2 2 251.374 0.492 10 0 CCAELP C[C@@H](C(=O)NC[C@H]1C[NH+](C)CCO1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000245203151 352316146 /nfs/dbraw/zinc/31/61/46/352316146.db2.gz ZWIUEGHAVAOUJN-CRWXNKLISA-N 2 2 283.416 0.695 10 0 CCAELP C[C@@H](C(=O)NC[C@H]1C[NH+](C)CCO1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000245203151 352316148 /nfs/dbraw/zinc/31/61/48/352316148.db2.gz ZWIUEGHAVAOUJN-CRWXNKLISA-N 2 2 283.416 0.695 10 0 CCAELP C[C@@H](C(=O)NC[C@H]1C[N@H+](C)CCO1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000245203151 352316150 /nfs/dbraw/zinc/31/61/50/352316150.db2.gz ZWIUEGHAVAOUJN-CRWXNKLISA-N 2 2 283.416 0.695 10 0 CCAELP CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000246387537 352364659 /nfs/dbraw/zinc/36/46/59/352364659.db2.gz IHCBYDRFKIRPRB-OLZOCXBDSA-N 2 2 286.420 0.347 10 0 CCAELP CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000246387537 352364662 /nfs/dbraw/zinc/36/46/62/352364662.db2.gz IHCBYDRFKIRPRB-OLZOCXBDSA-N 2 2 286.420 0.347 10 0 CCAELP CC[C@@H](C)[NH+](C)CCNC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000246387537 352364665 /nfs/dbraw/zinc/36/46/65/352364665.db2.gz IHCBYDRFKIRPRB-OLZOCXBDSA-N 2 2 286.420 0.347 10 0 CCAELP CC[C@@H](C)[NH+](C)CCNC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000246387537 352364668 /nfs/dbraw/zinc/36/46/68/352364668.db2.gz IHCBYDRFKIRPRB-OLZOCXBDSA-N 2 2 286.420 0.347 10 0 CCAELP O=C([C@H]1COCC[NH2+]1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000262647931 352588534 /nfs/dbraw/zinc/58/85/34/352588534.db2.gz PCTUMPDVBQRHDG-CQSZACIVSA-N 2 2 281.400 0.452 10 0 CCAELP O=C([C@H]1COCC[NH2+]1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000262647931 352588536 /nfs/dbraw/zinc/58/85/36/352588536.db2.gz PCTUMPDVBQRHDG-CQSZACIVSA-N 2 2 281.400 0.452 10 0 CCAELP NC(=O)[C@@H]1C[N@H+](CCn2cc[nH+]c2)C[C@H]1C(F)(F)F ZINC000299741120 354042272 /nfs/dbraw/zinc/04/22/72/354042272.db2.gz CWGZYVWQWIRSCX-RKDXNWHRSA-N 2 2 276.262 0.479 10 0 CCAELP NC(=O)[C@@H]1C[N@@H+](CCn2cc[nH+]c2)C[C@H]1C(F)(F)F ZINC000299741120 354042276 /nfs/dbraw/zinc/04/22/76/354042276.db2.gz CWGZYVWQWIRSCX-RKDXNWHRSA-N 2 2 276.262 0.479 10 0 CCAELP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000333012302 354744217 /nfs/dbraw/zinc/74/42/17/354744217.db2.gz BLLYTUZJONOFGQ-VXGBXAGGSA-N 2 2 262.357 0.971 10 0 CCAELP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000333012302 354744218 /nfs/dbraw/zinc/74/42/18/354744218.db2.gz BLLYTUZJONOFGQ-VXGBXAGGSA-N 2 2 262.357 0.971 10 0 CCAELP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333844307 354804363 /nfs/dbraw/zinc/80/43/63/354804363.db2.gz OWIXPAXXBWEXNW-ZIAGYGMSSA-N 2 2 298.431 0.491 10 0 CCAELP COC(=O)[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000388566439 357733990 /nfs/dbraw/zinc/73/39/90/357733990.db2.gz DTYPCRHOVDJWRB-OLZOCXBDSA-N 2 2 272.389 0.573 10 0 CCAELP COC(=O)[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000388566439 357733994 /nfs/dbraw/zinc/73/39/94/357733994.db2.gz DTYPCRHOVDJWRB-OLZOCXBDSA-N 2 2 272.389 0.573 10 0 CCAELP COC(=O)[C@@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000388566439 357733995 /nfs/dbraw/zinc/73/39/95/357733995.db2.gz DTYPCRHOVDJWRB-OLZOCXBDSA-N 2 2 272.389 0.573 10 0 CCAELP COC(=O)[C@@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000388566439 357733998 /nfs/dbraw/zinc/73/39/98/357733998.db2.gz DTYPCRHOVDJWRB-OLZOCXBDSA-N 2 2 272.389 0.573 10 0 CCAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCS(C)(=O)=O ZINC000178330501 189107808 /nfs/dbraw/zinc/10/78/08/189107808.db2.gz MEEKDCKOWPRRAQ-LBPRGKRZSA-N 2 2 271.386 0.701 10 0 CCAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCS(C)(=O)=O ZINC000178330501 189107809 /nfs/dbraw/zinc/10/78/09/189107809.db2.gz MEEKDCKOWPRRAQ-LBPRGKRZSA-N 2 2 271.386 0.701 10 0 CCAELP [NH3+]CC[N@@H+]1CCCO[C@H](c2ccc(CCO)cc2)C1 ZINC000616681718 365423169 /nfs/dbraw/zinc/42/31/69/365423169.db2.gz UHKPVPOZORJHHR-HNNXBMFYSA-N 2 2 264.369 0.944 10 0 CCAELP [NH3+]CC[N@H+]1CCCO[C@H](c2ccc(CCO)cc2)C1 ZINC000616681718 365423177 /nfs/dbraw/zinc/42/31/77/365423177.db2.gz UHKPVPOZORJHHR-HNNXBMFYSA-N 2 2 264.369 0.944 10 0 CCAELP CO[C@@H]1C[N@H+](CCc2ccnn2C)[C@](C)(C[NH3+])C1 ZINC000634688186 372132722 /nfs/dbraw/zinc/13/27/22/372132722.db2.gz KWPUAMBUTPFFCH-STQMWFEESA-N 2 2 252.362 0.401 10 0 CCAELP CO[C@@H]1C[N@@H+](CCc2ccnn2C)[C@](C)(C[NH3+])C1 ZINC000634688186 372132727 /nfs/dbraw/zinc/13/27/27/372132727.db2.gz KWPUAMBUTPFFCH-STQMWFEESA-N 2 2 252.362 0.401 10 0 CCAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCS[C@@H](C)C2)CC1 ZINC000246189524 285008597 /nfs/dbraw/zinc/00/85/97/285008597.db2.gz WDWWBALADAGTIP-STQMWFEESA-N 2 2 285.457 0.976 10 0 CCAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCS[C@@H](C)C2)CC1 ZINC000246189524 285008598 /nfs/dbraw/zinc/00/85/98/285008598.db2.gz WDWWBALADAGTIP-STQMWFEESA-N 2 2 285.457 0.976 10 0 CCAELP COc1ccccc1N1CC[NH+](C[C@H](O)C[NH3+])CC1 ZINC000019430804 388793452 /nfs/dbraw/zinc/79/34/52/388793452.db2.gz NXALKUMQNRTWOA-GFCCVEGCSA-N 2 2 265.357 0.137 10 0 CCAELP COc1c(C)c[nH+]c(C[N@@H+]2C[C@@H](O)C[C@@H]2CO)c1C ZINC000185142224 388789535 /nfs/dbraw/zinc/78/95/35/388789535.db2.gz OHSAPIDUXUJFFM-NEPJUHHUSA-N 2 2 266.341 0.635 10 0 CCAELP COc1c(C)c[nH+]c(C[N@H+]2C[C@@H](O)C[C@@H]2CO)c1C ZINC000185142224 388789538 /nfs/dbraw/zinc/78/95/38/388789538.db2.gz OHSAPIDUXUJFFM-NEPJUHHUSA-N 2 2 266.341 0.635 10 0 CCAELP CC[C@H](C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1)[NH+](C)C ZINC000151566818 389277699 /nfs/dbraw/zinc/27/76/99/389277699.db2.gz JJXBSCOZZYAKCZ-QWHCGFSZSA-N 2 2 269.389 0.306 10 0 CCAELP CC[C@H](C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1)[NH+](C)C ZINC000151566818 389277701 /nfs/dbraw/zinc/27/77/01/389277701.db2.gz JJXBSCOZZYAKCZ-QWHCGFSZSA-N 2 2 269.389 0.306 10 0 CCAELP Cn1c[nH+]cc1CNC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000332875748 389385394 /nfs/dbraw/zinc/38/53/94/389385394.db2.gz ZEAYEOWHRNOZSQ-STQMWFEESA-N 2 2 293.371 0.035 10 0 CCAELP Cn1c[nH+]cc1CNC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000332875748 389385397 /nfs/dbraw/zinc/38/53/97/389385397.db2.gz ZEAYEOWHRNOZSQ-STQMWFEESA-N 2 2 293.371 0.035 10 0 CCAELP c1nc(N2CCCCC2)cc(NC[C@@H]2C[NH2+]CCO2)[nH+]1 ZINC000333705722 389440430 /nfs/dbraw/zinc/44/04/30/389440430.db2.gz RMLAJMOYTKAWSH-LBPRGKRZSA-N 2 2 277.372 0.867 10 0 CCAELP c1nc(NC[C@@H]2C[NH2+]CCO2)cc(N2CCCCC2)[nH+]1 ZINC000333705722 389440433 /nfs/dbraw/zinc/44/04/33/389440433.db2.gz RMLAJMOYTKAWSH-LBPRGKRZSA-N 2 2 277.372 0.867 10 0 CCAELP C(CN1CC[C@H]([NH+]2CCOCC2)C1)C[NH+]1CCCC1 ZINC000179251371 389648228 /nfs/dbraw/zinc/64/82/28/389648228.db2.gz ODTOZABBJMLOSA-HNNXBMFYSA-N 2 2 267.417 0.879 10 0 CCAELP C[C@@H](C[NH2+]CC1(O)CCOCC1)C[NH+]1CCOCC1 ZINC000579703466 390198537 /nfs/dbraw/zinc/19/85/37/390198537.db2.gz DWSSVUITMTZWST-ZDUSSCGKSA-N 2 2 272.389 0.086 10 0 CCAELP O=C([C@H]1COCC[NH2+]1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000088372410 304456477 /nfs/dbraw/zinc/45/64/77/304456477.db2.gz YTFFDMDJBNIHHU-CHWSQXEVSA-N 2 2 267.373 0.062 10 0 CCAELP CC(C)[NH+]1CCC(C(=O)[O-])([N@@H+]2CCC[NH2+]CC2)CC1 ZINC000037958929 173902815 /nfs/dbraw/zinc/90/28/15/173902815.db2.gz KGSHOOIZXUFMHW-UHFFFAOYSA-N 2 2 269.389 0.609 10 0 CCAELP CC(C)[NH+]1CCC(C(=O)[O-])([N@H+]2CCC[NH2+]CC2)CC1 ZINC000037958929 173902817 /nfs/dbraw/zinc/90/28/17/173902817.db2.gz KGSHOOIZXUFMHW-UHFFFAOYSA-N 2 2 269.389 0.609 10 0 CCAELP CCCN1C(=O)C[C@@H]([NH2+]C2CC[NH+](CC)CC2)C1=O ZINC000038098315 174113181 /nfs/dbraw/zinc/11/31/81/174113181.db2.gz QGSVUNCHVMOMGG-GFCCVEGCSA-N 2 2 267.373 0.598 10 0 CCAELP CCC[NH2+][C@@H](CC[N@H+](C)C[C@@H]1CC[NH+](C)C1)C(N)=O ZINC000071191052 176067772 /nfs/dbraw/zinc/06/77/72/176067772.db2.gz QZHAEBNFEUBCNG-OLZOCXBDSA-N 3 2 270.421 0.114 10 0 CCAELP CCC[NH2+][C@@H](CC[N@@H+](C)C[C@@H]1CC[NH+](C)C1)C(N)=O ZINC000071191052 176067774 /nfs/dbraw/zinc/06/77/74/176067774.db2.gz QZHAEBNFEUBCNG-OLZOCXBDSA-N 3 2 270.421 0.114 10 0 CCAELP CCC[NH2+][C@@H](CC[NH+](C)C[C@@H]1CC[N@H+](C)C1)C(N)=O ZINC000071191052 176067775 /nfs/dbraw/zinc/06/77/75/176067775.db2.gz QZHAEBNFEUBCNG-OLZOCXBDSA-N 3 2 270.421 0.114 10 0 CCAELP CCC[NH2+][C@@H](CC[NH+](C)C[C@@H]1CC[N@@H+](C)C1)C(N)=O ZINC000071191052 176067776 /nfs/dbraw/zinc/06/77/76/176067776.db2.gz QZHAEBNFEUBCNG-OLZOCXBDSA-N 3 2 270.421 0.114 10 0 CCAELP CCC1(C(=O)NCc2[nH+]ccn2C)CC[NH2+]CC1 ZINC000071276064 176106790 /nfs/dbraw/zinc/10/67/90/176106790.db2.gz BXPZCECPTMFFLT-UHFFFAOYSA-N 2 2 250.346 0.816 10 0 CCAELP CC(C)(CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+])[NH+]1CCOCC1 ZINC000089459351 544514197 /nfs/dbraw/zinc/51/41/97/544514197.db2.gz SEWYUGAJVZZPAA-CHWSQXEVSA-N 2 2 283.416 0.588 10 0 CCAELP COCC[N@@H+]1CCN(C(=O)c2ccc(C[NH3+])o2)C[C@H]1C ZINC000168024648 544728606 /nfs/dbraw/zinc/72/86/06/544728606.db2.gz NHCVJYFLZNJSMW-LLVKDONJSA-N 2 2 281.356 0.531 10 0 CCAELP COCC[N@H+]1CCN(C(=O)c2ccc(C[NH3+])o2)C[C@H]1C ZINC000168024648 544728609 /nfs/dbraw/zinc/72/86/09/544728609.db2.gz NHCVJYFLZNJSMW-LLVKDONJSA-N 2 2 281.356 0.531 10 0 CCAELP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(Br)cn1 ZINC000262129400 544941056 /nfs/dbraw/zinc/94/10/56/544941056.db2.gz NQEXQUZOXLPLCR-KWQFWETISA-N 2 2 286.173 0.514 10 0 CCAELP C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH2+]CC1)[C@@H]1CCCO1 ZINC000038043142 274243147 /nfs/dbraw/zinc/24/31/47/274243147.db2.gz GTUWXKZPHXMUBP-SNPRPXQTSA-N 2 2 295.427 0.887 10 0 CCAELP C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH2+]CC1)[C@@H]1CCCO1 ZINC000038043142 274243146 /nfs/dbraw/zinc/24/31/46/274243146.db2.gz GTUWXKZPHXMUBP-SNPRPXQTSA-N 2 2 295.427 0.887 10 0 CCAELP CC1(C)CCC[NH2+][C@H]1C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000232925419 275816371 /nfs/dbraw/zinc/81/63/71/275816371.db2.gz JQHXOABGMHNMFP-KBPBESRZSA-N 2 2 295.427 0.698 10 0 CCAELP CC1(C)C[N@@H+]([C@H]2CCN(C3CCOCC3)C2=O)CC[C@@H]1[NH3+] ZINC000261638869 278341205 /nfs/dbraw/zinc/34/12/05/278341205.db2.gz DJNLMHAWCBBXNN-KBPBESRZSA-N 2 2 295.427 0.826 10 0 CCAELP CC1(C)C[N@H+]([C@H]2CCN(C3CCOCC3)C2=O)CC[C@@H]1[NH3+] ZINC000261638869 278341208 /nfs/dbraw/zinc/34/12/08/278341208.db2.gz DJNLMHAWCBBXNN-KBPBESRZSA-N 2 2 295.427 0.826 10 0 CCAELP C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249800582 279218689 /nfs/dbraw/zinc/21/86/89/279218689.db2.gz AATYQHITAXZGJK-MNOVXSKESA-N 2 2 291.355 0.399 10 0 CCAELP C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249800582 279218691 /nfs/dbraw/zinc/21/86/91/279218691.db2.gz AATYQHITAXZGJK-MNOVXSKESA-N 2 2 291.355 0.399 10 0 CCAELP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)N1CCn2cc[nH+]c2C1 ZINC000333503127 280044924 /nfs/dbraw/zinc/04/49/24/280044924.db2.gz FPHRJFGJSVKYOL-MNOVXSKESA-N 2 2 263.345 0.549 10 0 CCAELP CCOC(=O)[C@H]([NH3+])CCN(CC[NH+](C)C)CC(C)C ZINC000062456458 521258909 /nfs/dbraw/zinc/25/89/09/521258909.db2.gz QBADDPLIWCXMBJ-CYBMUJFWSA-N 2 2 273.421 0.787 10 0 CCAELP CCN1C(=O)C[C@@H]([NH2+][C@@H](C)Cn2cc[nH+]c2)C1=O ZINC000049234895 521522469 /nfs/dbraw/zinc/52/24/69/521522469.db2.gz PRDKQURJCYJTEF-VHSXEESVSA-N 2 2 250.302 0.009 10 0 CCAELP C[C@H](C[NH+]1CCCCC1)[NH2+]CCN1CCOCC1 ZINC000049501922 524333707 /nfs/dbraw/zinc/33/37/07/524333707.db2.gz FCQVPBUIHOBCOM-CQSZACIVSA-N 2 2 255.406 0.783 10 0 CCAELP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@@H]1CCS(=O)(=O)C1 ZINC000054601790 527146045 /nfs/dbraw/zinc/14/60/45/527146045.db2.gz ZIHQQCQTEMIBJE-FGNRJIRKSA-N 2 2 258.387 0.518 10 0 CCAELP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@@H]1CCS(=O)(=O)C1 ZINC000054601790 527146047 /nfs/dbraw/zinc/14/60/47/527146047.db2.gz ZIHQQCQTEMIBJE-FGNRJIRKSA-N 2 2 258.387 0.518 10 0 CCAELP [NH3+]CCC[NH+]1CCN(CCOCC(F)(F)F)CC1 ZINC000049310712 527180586 /nfs/dbraw/zinc/18/05/86/527180586.db2.gz HDTPTHZVIJYFLW-UHFFFAOYSA-N 2 2 269.311 0.532 10 0 CCAELP [NH3+]CCCN1CC[NH+](CCOCC(F)(F)F)CC1 ZINC000049310712 527180589 /nfs/dbraw/zinc/18/05/89/527180589.db2.gz HDTPTHZVIJYFLW-UHFFFAOYSA-N 2 2 269.311 0.532 10 0 CCAELP Cc1c(C[NH2+]C2CC[NH+](CCO)CC2)cnn1C ZINC000399244558 581208742 /nfs/dbraw/zinc/20/87/42/581208742.db2.gz JPYYKMGFOJAKKU-UHFFFAOYSA-N 2 2 252.362 0.275 10 0 CCAELP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000104143126 349709283 /nfs/dbraw/zinc/70/92/83/349709283.db2.gz VVAQREJFUAPRDR-ZIAGYGMSSA-N 2 2 283.416 0.698 10 0 CCAELP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000104143126 349709287 /nfs/dbraw/zinc/70/92/87/349709287.db2.gz VVAQREJFUAPRDR-ZIAGYGMSSA-N 2 2 283.416 0.698 10 0 CCAELP OC[C@@H]1CCCN(c2cc(N[C@@H]3CCC[NH2+]C3)nc[nH+]2)C1 ZINC000333123447 136385722 /nfs/dbraw/zinc/38/57/22/136385722.db2.gz AAPRGLZUOSSNDY-CHWSQXEVSA-N 2 2 291.399 0.849 10 0 CCAELP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1nccn1-c1ccccc1 ZINC000263137336 137059347 /nfs/dbraw/zinc/05/93/47/137059347.db2.gz CCSSCTGBQCESNL-JSGCOSHPSA-N 2 2 272.352 0.542 10 0 CCAELP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000263292592 137063018 /nfs/dbraw/zinc/06/30/18/137063018.db2.gz VUUAJKCRZHQFHV-DOMZBBRYSA-N 3 2 287.367 0.246 10 0 CCAELP O=C([C@@H]1CC[NH2+]C1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000062114567 348664599 /nfs/dbraw/zinc/66/45/99/348664599.db2.gz OMHOWRLBDJRHJZ-CQSZACIVSA-N 2 2 274.368 0.335 10 0 CCAELP CC(C)Nc1cc[nH+]c(N2CCN3CC[N@H+](C)C[C@@H]3C2)n1 ZINC000065417681 348715763 /nfs/dbraw/zinc/71/57/63/348715763.db2.gz RIRWBIFAHFEJKP-CYBMUJFWSA-N 2 2 290.415 0.733 10 0 CCAELP CC(C)Nc1cc[nH+]c(N2CCN3CC[N@@H+](C)C[C@@H]3C2)n1 ZINC000065417681 348715768 /nfs/dbraw/zinc/71/57/68/348715768.db2.gz RIRWBIFAHFEJKP-CYBMUJFWSA-N 2 2 290.415 0.733 10 0 CCAELP CO[C@H](C)[C@H]([NH3+])C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000067643018 348780313 /nfs/dbraw/zinc/78/03/13/348780313.db2.gz YJINSEYNLNMBNY-KCJUWKMLSA-N 2 2 252.318 0.520 10 0 CCAELP CC(C)S(=O)(=O)CC[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261560538 535095152 /nfs/dbraw/zinc/09/51/52/535095152.db2.gz UTPFJDPWBWUAJR-SDDRHHMPSA-N 2 2 260.403 0.479 10 0 CCAELP CC(C)S(=O)(=O)CC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261560538 535095156 /nfs/dbraw/zinc/09/51/56/535095156.db2.gz UTPFJDPWBWUAJR-SDDRHHMPSA-N 2 2 260.403 0.479 10 0 CCAELP CC[NH+]1CCN(C(=O)NC[C@H](C)[NH+]2CCOCC2)CC1 ZINC000126538002 350148342 /nfs/dbraw/zinc/14/83/42/350148342.db2.gz IVDMNNJBHZZYIX-ZDUSSCGKSA-N 2 2 284.404 0.054 10 0 CCAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)NC(N)=O)C1 ZINC000105896393 186085431 /nfs/dbraw/zinc/08/54/31/186085431.db2.gz YXCZXHIQIUVOLJ-JTQLQIEISA-N 2 2 279.344 0.277 10 0 CCAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)NC(N)=O)C1 ZINC000105896393 186085433 /nfs/dbraw/zinc/08/54/33/186085433.db2.gz YXCZXHIQIUVOLJ-JTQLQIEISA-N 2 2 279.344 0.277 10 0 CCAELP OCc1ccc(C[NH2+]C[C@H](O)C[NH+]2CCCCC2)o1 ZINC000174299955 351078512 /nfs/dbraw/zinc/07/85/12/351078512.db2.gz HNGJNWMOWIPRGD-LBPRGKRZSA-N 2 2 268.357 0.708 10 0 CCAELP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NC[C@@H]2C[N@H+](C)CCO2)C1 ZINC000176142495 351158602 /nfs/dbraw/zinc/15/86/02/351158602.db2.gz OCGWSRPBZRTPFU-HZSPNIEDSA-N 2 2 298.431 0.489 10 0 CCAELP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000176142495 351158603 /nfs/dbraw/zinc/15/86/03/351158603.db2.gz OCGWSRPBZRTPFU-HZSPNIEDSA-N 2 2 298.431 0.489 10 0 CCAELP Cn1cc[nH+]c1CC1CCN(C(=O)C[NH+](C)C)CC1 ZINC000178676909 351239286 /nfs/dbraw/zinc/23/92/86/351239286.db2.gz QRQORVFMCOHFCI-UHFFFAOYSA-N 2 2 264.373 0.763 10 0 CCAELP CC[C@@H](C)NC(=O)[C@@H](C)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193649705 351837999 /nfs/dbraw/zinc/83/79/99/351837999.db2.gz FDSZUUWWSKPXTQ-LPWJVIDDSA-N 2 2 253.390 0.783 10 0 CCAELP CC[C@@H](C)NC(=O)[C@@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193649705 351838005 /nfs/dbraw/zinc/83/80/05/351838005.db2.gz FDSZUUWWSKPXTQ-LPWJVIDDSA-N 2 2 253.390 0.783 10 0 CCAELP CC[C@@H](C)NC(=O)[C@@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193649705 351838009 /nfs/dbraw/zinc/83/80/09/351838009.db2.gz FDSZUUWWSKPXTQ-LPWJVIDDSA-N 2 2 253.390 0.783 10 0 CCAELP CC[C@@H](C)NC(=O)[C@@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193649705 351838014 /nfs/dbraw/zinc/83/80/14/351838014.db2.gz FDSZUUWWSKPXTQ-LPWJVIDDSA-N 2 2 253.390 0.783 10 0 CCAELP C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247682092 352423783 /nfs/dbraw/zinc/42/37/83/352423783.db2.gz RUZVLUWNCQIGJA-GMTAPVOTSA-N 2 2 279.344 0.349 10 0 CCAELP C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247682092 352423786 /nfs/dbraw/zinc/42/37/86/352423786.db2.gz RUZVLUWNCQIGJA-GMTAPVOTSA-N 2 2 279.344 0.349 10 0 CCAELP C[C@@H]1COCC[N@@H+]1CCNc1ncnc2c1C[NH+](C)CC2 ZINC000329033889 202161724 /nfs/dbraw/zinc/16/17/24/202161724.db2.gz BTOFUPBRURYLKY-GFCCVEGCSA-N 2 2 291.399 0.019 10 0 CCAELP C[C@@H]1COCC[N@H+]1CCNc1ncnc2c1C[NH+](C)CC2 ZINC000329033889 202161728 /nfs/dbraw/zinc/16/17/28/202161728.db2.gz BTOFUPBRURYLKY-GFCCVEGCSA-N 2 2 291.399 0.019 10 0 CCAELP C[C@@H]1COCC[NH+]1CCNc1ncnc2c1C[N@H+](C)CC2 ZINC000329033889 202161730 /nfs/dbraw/zinc/16/17/30/202161730.db2.gz BTOFUPBRURYLKY-GFCCVEGCSA-N 2 2 291.399 0.019 10 0 CCAELP C[C@@H]1COCC[NH+]1CCNc1ncnc2c1C[N@@H+](C)CC2 ZINC000329033889 202161733 /nfs/dbraw/zinc/16/17/33/202161733.db2.gz BTOFUPBRURYLKY-GFCCVEGCSA-N 2 2 291.399 0.019 10 0 CCAELP O=C(NCC[N@H+]1CC=CCC1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000569602932 358778541 /nfs/dbraw/zinc/77/85/41/358778541.db2.gz SHCYDKMKZPXGQZ-JTQLQIEISA-N 2 2 259.300 0.362 10 0 CCAELP O=C(NCC[N@@H+]1CC=CCC1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000569602932 358778547 /nfs/dbraw/zinc/77/85/47/358778547.db2.gz SHCYDKMKZPXGQZ-JTQLQIEISA-N 2 2 259.300 0.362 10 0 CCAELP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000571044241 358905626 /nfs/dbraw/zinc/90/56/26/358905626.db2.gz SBJQSCHWRVZYCE-GHMZBOCLSA-N 2 2 275.343 0.830 10 0 CCAELP CC(C)[N@H+]1CC[C@H](CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000571044241 358905630 /nfs/dbraw/zinc/90/56/30/358905630.db2.gz SBJQSCHWRVZYCE-GHMZBOCLSA-N 2 2 275.343 0.830 10 0 CCAELP COC(=O)[C@@H](C)[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174878521 291234198 /nfs/dbraw/zinc/23/41/98/291234198.db2.gz XRJPBHLTWUIKHI-KGLIPLIRSA-N 2 2 283.416 0.650 10 0 CCAELP COC(=O)[C@@H](C)[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174878521 291234202 /nfs/dbraw/zinc/23/42/02/291234202.db2.gz XRJPBHLTWUIKHI-KGLIPLIRSA-N 2 2 283.416 0.650 10 0 CCAELP CC(C)S(=O)(=O)CCC[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631839864 370705827 /nfs/dbraw/zinc/70/58/27/370705827.db2.gz LWMPYZVLHLXBSO-NEPJUHHUSA-N 2 2 262.419 0.726 10 0 CCAELP CC(C)S(=O)(=O)CCC[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631839864 370705835 /nfs/dbraw/zinc/70/58/35/370705835.db2.gz LWMPYZVLHLXBSO-NEPJUHHUSA-N 2 2 262.419 0.726 10 0 CCAELP CCCN(CC[NH+](C)C)C(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000565037879 291338694 /nfs/dbraw/zinc/33/86/94/291338694.db2.gz ILKQVVBLCFZNLP-SNVBAGLBSA-N 2 2 263.332 0.784 10 0 CCAELP C[C@H]1C[NH2+]CCN1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000333359889 205252602 /nfs/dbraw/zinc/25/26/02/205252602.db2.gz KXANJQPJVDRQMG-STQMWFEESA-N 2 2 289.383 0.664 10 0 CCAELP C[C@H]([C@H](C)NC(=O)N[C@@H]1CCCC[NH2+]C1)[NH+]1CCOCC1 ZINC000333430899 205313401 /nfs/dbraw/zinc/31/34/01/205313401.db2.gz UNPFEBMOBJIAKF-BFHYXJOUSA-N 2 2 298.431 0.537 10 0 CCAELP C[C@H](O)C[N@@H+]1CCN(CCC[NH+]2CCOCC2)C[C@@H]1C ZINC000247562560 285054783 /nfs/dbraw/zinc/05/47/83/285054783.db2.gz QYPWZPMDHQDRIU-GJZGRUSLSA-N 2 2 285.432 0.096 10 0 CCAELP C[C@H](O)C[N@H+]1CCN(CCC[NH+]2CCOCC2)C[C@@H]1C ZINC000247562560 285054788 /nfs/dbraw/zinc/05/47/88/285054788.db2.gz QYPWZPMDHQDRIU-GJZGRUSLSA-N 2 2 285.432 0.096 10 0 CCAELP C[C@@H]1C[C@H]([NH2+][C@H]2CCC(=O)N[C@H]2C)C[N@@H+]1C1CC1 ZINC000392929618 285206726 /nfs/dbraw/zinc/20/67/26/285206726.db2.gz JNEYXWPJVWQZKW-BLFANLJRSA-N 2 2 251.374 0.868 10 0 CCAELP C[C@@H]1C[C@H]([NH2+][C@H]2CCC(=O)N[C@H]2C)C[N@H+]1C1CC1 ZINC000392929618 285206729 /nfs/dbraw/zinc/20/67/29/285206729.db2.gz JNEYXWPJVWQZKW-BLFANLJRSA-N 2 2 251.374 0.868 10 0 CCAELP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3nnnn3Cc3ccccc3)C[C@H]12 ZINC000393942824 285213061 /nfs/dbraw/zinc/21/30/61/285213061.db2.gz MCKZNTOEVDSSSG-QLFBSQMISA-N 2 2 298.394 0.891 10 0 CCAELP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3nnnn3Cc3ccccc3)C[C@H]12 ZINC000393942824 285213063 /nfs/dbraw/zinc/21/30/63/285213063.db2.gz MCKZNTOEVDSSSG-QLFBSQMISA-N 2 2 298.394 0.891 10 0 CCAELP C[N@@H+]1CCN(c2ncc(Br)cn2)[C@@H](C[NH3+])C1 ZINC000226621057 389148870 /nfs/dbraw/zinc/14/88/70/389148870.db2.gz RNTUZACBPQYSFK-VIFPVBQESA-N 2 2 286.177 0.318 10 0 CCAELP C[N@H+]1CCN(c2ncc(Br)cn2)[C@@H](C[NH3+])C1 ZINC000226621057 389148871 /nfs/dbraw/zinc/14/88/71/389148871.db2.gz RNTUZACBPQYSFK-VIFPVBQESA-N 2 2 286.177 0.318 10 0 CCAELP CCC[C@@H](C(=O)N1CC[N@H+](CCOC)[C@@H](C)C1)[NH+](C)C ZINC000245794069 389218066 /nfs/dbraw/zinc/21/80/66/389218066.db2.gz OGEDREAMZXZVGU-KBPBESRZSA-N 2 2 285.432 0.896 10 0 CCAELP CCC[C@@H](C(=O)N1CC[N@@H+](CCOC)[C@@H](C)C1)[NH+](C)C ZINC000245794069 389218068 /nfs/dbraw/zinc/21/80/68/389218068.db2.gz OGEDREAMZXZVGU-KBPBESRZSA-N 2 2 285.432 0.896 10 0 CCAELP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1cnccn1 ZINC000151288151 389276839 /nfs/dbraw/zinc/27/68/39/389276839.db2.gz JCKRQKFCVLQYJY-OLZOCXBDSA-N 2 2 264.373 0.974 10 0 CCAELP C[N@@H+]1CCO[C@H](CNC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)C1 ZINC000333603035 389434788 /nfs/dbraw/zinc/43/47/88/389434788.db2.gz PSVNUHLMXFUEQS-CRWXNKLISA-N 2 2 296.415 0.086 10 0 CCAELP C[N@H+]1CCO[C@H](CNC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)C1 ZINC000333603035 389434793 /nfs/dbraw/zinc/43/47/93/389434793.db2.gz PSVNUHLMXFUEQS-CRWXNKLISA-N 2 2 296.415 0.086 10 0 CCAELP COC[C@@]1(C(=O)N[C@H](C)Cn2cc[nH+]c2)CCC[NH2+]1 ZINC000649299606 390560547 /nfs/dbraw/zinc/56/05/47/390560547.db2.gz BJFNSEFFOAYHEQ-DGCLKSJQSA-N 2 2 266.345 0.156 10 0 CCAELP COCc1nc(CN2CC[N@H+](C)C[C@@H]2C[NH3+])cs1 ZINC000647539288 390837505 /nfs/dbraw/zinc/83/75/05/390837505.db2.gz OFANSQXIYMEQHI-NSHDSACASA-N 2 2 270.402 0.364 10 0 CCAELP COCc1nc(CN2CC[N@@H+](C)C[C@@H]2C[NH3+])cs1 ZINC000647539288 390837508 /nfs/dbraw/zinc/83/75/08/390837508.db2.gz OFANSQXIYMEQHI-NSHDSACASA-N 2 2 270.402 0.364 10 0 CCAELP C[NH+](C)CCNc1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000258822944 131147326 /nfs/dbraw/zinc/14/73/26/131147326.db2.gz WAJBZMQHDIPHBN-NSHDSACASA-N 2 2 265.361 0.411 10 0 CCAELP O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000262457424 131222256 /nfs/dbraw/zinc/22/22/56/131222256.db2.gz FLFPZBIHOOIKHC-VXGBXAGGSA-N 2 2 272.308 0.738 10 0 CCAELP CN(Cc1[nH+]ccn1C)C(=O)CC[C@H]1CCC[NH2+]1 ZINC000386653929 397502320 /nfs/dbraw/zinc/50/23/20/397502320.db2.gz UCXQTYOYWWAXLM-LLVKDONJSA-N 2 2 250.346 0.911 10 0 CCAELP CCOCCCNC(=O)[C@@H](C)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193648875 286067895 /nfs/dbraw/zinc/06/78/95/286067895.db2.gz GTAFEGFMPKBDAY-MCIONIFRSA-N 2 2 283.416 0.411 10 0 CCAELP CCOCCCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193648875 286067897 /nfs/dbraw/zinc/06/78/97/286067897.db2.gz GTAFEGFMPKBDAY-MCIONIFRSA-N 2 2 283.416 0.411 10 0 CCAELP CCOCCCNC(=O)[C@@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193648875 286067899 /nfs/dbraw/zinc/06/78/99/286067899.db2.gz GTAFEGFMPKBDAY-MCIONIFRSA-N 2 2 283.416 0.411 10 0 CCAELP CCOCCCNC(=O)[C@@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193648875 286067901 /nfs/dbraw/zinc/06/79/01/286067901.db2.gz GTAFEGFMPKBDAY-MCIONIFRSA-N 2 2 283.416 0.411 10 0 CCAELP Cc1cc(Nc2cc(CC3CC[NH2+]CC3)[nH+]c(N)n2)n[nH]1 ZINC000616593835 411841511 /nfs/dbraw/zinc/84/15/11/411841511.db2.gz YZAMABLEOOCJKM-UHFFFAOYSA-N 2 2 287.371 0.798 10 0 CCAELP C[N@H+]1[C@@H]2CC[C@H]1CC([NH2+]C[C@@H]1CCS(=O)(=O)C1)C2 ZINC000038083167 174092697 /nfs/dbraw/zinc/09/26/97/174092697.db2.gz HCWXHKQSSUFKLF-WODVXLOZSA-N 2 2 272.414 0.636 10 0 CCAELP C[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]C[C@@H]1CCS(=O)(=O)C1)C2 ZINC000038083167 174092698 /nfs/dbraw/zinc/09/26/98/174092698.db2.gz HCWXHKQSSUFKLF-WODVXLOZSA-N 2 2 272.414 0.636 10 0 CCAELP O=C(C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21)N1CC[NH2+]CC1 ZINC000043425525 175040235 /nfs/dbraw/zinc/04/02/35/175040235.db2.gz RFBGWMPAJRDUHV-QWHCGFSZSA-N 2 2 267.373 0.062 10 0 CCAELP O=C(C[N@H+]1CCO[C@@H]2CCCC[C@@H]21)N1CC[NH2+]CC1 ZINC000043425525 175040236 /nfs/dbraw/zinc/04/02/36/175040236.db2.gz RFBGWMPAJRDUHV-QWHCGFSZSA-N 2 2 267.373 0.062 10 0 CCAELP Cc1ncsc1CC[N@@H+](C)C[C@]1(O)C[NH2+]CCOC1 ZINC000077406620 177263790 /nfs/dbraw/zinc/26/37/90/177263790.db2.gz DSRXTAPQQDSSTQ-CYBMUJFWSA-N 2 2 285.413 0.277 10 0 CCAELP Cc1ncsc1CC[N@H+](C)C[C@]1(O)C[NH2+]CCOC1 ZINC000077406620 177263792 /nfs/dbraw/zinc/26/37/92/177263792.db2.gz DSRXTAPQQDSSTQ-CYBMUJFWSA-N 2 2 285.413 0.277 10 0 CCAELP O=C(C[C@@H]1CCC[NH2+]C1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000062976840 544446872 /nfs/dbraw/zinc/44/68/72/544446872.db2.gz RBTCMDMRFXFXQI-UONOGXRCSA-N 2 2 281.400 0.309 10 0 CCAELP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000223424810 544824306 /nfs/dbraw/zinc/82/43/06/544824306.db2.gz GQFXSIAHFKICES-FRRDWIJNSA-N 2 2 267.373 0.047 10 0 CCAELP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1COCC[NH2+]1 ZINC000236754387 544885155 /nfs/dbraw/zinc/88/51/55/544885155.db2.gz BLQMTNPCLYTMFO-KBPBESRZSA-N 2 2 283.416 0.746 10 0 CCAELP CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1COCC[NH2+]1 ZINC000236754387 544885158 /nfs/dbraw/zinc/88/51/58/544885158.db2.gz BLQMTNPCLYTMFO-KBPBESRZSA-N 2 2 283.416 0.746 10 0 CCAELP COc1cc(OC)c(OC)cc1C[NH2+]C[C@H]1C[NH2+]C[C@@H]1O ZINC000262077166 544939619 /nfs/dbraw/zinc/93/96/19/544939619.db2.gz DJDLKGULMLTESS-RYUDHWBXSA-N 2 2 296.367 0.382 10 0 CCAELP CCc1nc(NC[C@@H]2C[N@H+](CC)CCO2)cc(C)[nH+]1 ZINC000381824039 545084816 /nfs/dbraw/zinc/08/48/16/545084816.db2.gz OIJKMSZVWPFVKV-GFCCVEGCSA-N 2 2 264.373 0.902 10 0 CCAELP CCc1nc(NC[C@@H]2C[N@@H+](CC)CCO2)cc(C)[nH+]1 ZINC000381824039 545084817 /nfs/dbraw/zinc/08/48/17/545084817.db2.gz OIJKMSZVWPFVKV-GFCCVEGCSA-N 2 2 264.373 0.902 10 0 CCAELP C[C@@H]1C[N@H+](CCN2C[C@H]3CCC[NH+]3C[C@H]2C)CCO1 ZINC000192740778 288175777 /nfs/dbraw/zinc/17/57/77/288175777.db2.gz MFGCCQBYNLZCKZ-RBSFLKMASA-N 2 2 267.417 0.876 10 0 CCAELP C[C@@H]1C[N@@H+](CCN2C[C@H]3CCC[NH+]3C[C@H]2C)CCO1 ZINC000192740778 288175781 /nfs/dbraw/zinc/17/57/81/288175781.db2.gz MFGCCQBYNLZCKZ-RBSFLKMASA-N 2 2 267.417 0.876 10 0 CCAELP C[C@@H]1C[NH+](CCN2C[C@H]3CCC[N@@H+]3C[C@H]2C)CCO1 ZINC000192740778 288175783 /nfs/dbraw/zinc/17/57/83/288175783.db2.gz MFGCCQBYNLZCKZ-RBSFLKMASA-N 2 2 267.417 0.876 10 0 CCAELP C[C@@H]1C[NH+](CCN2C[C@H]3CCC[N@H+]3C[C@H]2C)CCO1 ZINC000192740778 288175786 /nfs/dbraw/zinc/17/57/86/288175786.db2.gz MFGCCQBYNLZCKZ-RBSFLKMASA-N 2 2 267.417 0.876 10 0 CCAELP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333844301 298629065 /nfs/dbraw/zinc/62/90/65/298629065.db2.gz OWIXPAXXBWEXNW-KGLIPLIRSA-N 2 2 298.431 0.491 10 0 CCAELP Cn1c[nH+]cc1CCCN1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000404018357 545091134 /nfs/dbraw/zinc/09/11/34/545091134.db2.gz SIKIVIVHFLTNIV-KBPBESRZSA-N 2 2 264.373 0.415 10 0 CCAELP CCC[NH2+][C@H](CC[N@@H+]1CCOC[C@@H]1CC)C(N)=O ZINC000062451021 520077853 /nfs/dbraw/zinc/07/78/53/520077853.db2.gz WEQXPKICTPYCAK-NWDGAFQWSA-N 2 2 257.378 0.341 10 0 CCAELP CCC[NH2+][C@H](CC[N@H+]1CCOC[C@@H]1CC)C(N)=O ZINC000062451021 520077858 /nfs/dbraw/zinc/07/78/58/520077858.db2.gz WEQXPKICTPYCAK-NWDGAFQWSA-N 2 2 257.378 0.341 10 0 CCAELP CC[NH2+]Cc1cc(C[NH+](CCOC)CCOC)on1 ZINC000052571416 519987169 /nfs/dbraw/zinc/98/71/69/519987169.db2.gz HFGKFQKKCJJERI-UHFFFAOYSA-N 2 2 271.361 0.879 10 0 CCAELP CC[C@@H]1CO[C@H](C)C[N@@H+]1CC[C@H]([NH2+]C1CC1)C(N)=O ZINC000062523393 523514300 /nfs/dbraw/zinc/51/43/00/523514300.db2.gz YKLRPMJOUGSADO-RTXFEEFZSA-N 2 2 269.389 0.482 10 0 CCAELP CC[C@@H]1CO[C@H](C)C[N@H+]1CC[C@H]([NH2+]C1CC1)C(N)=O ZINC000062523393 523514303 /nfs/dbraw/zinc/51/43/03/523514303.db2.gz YKLRPMJOUGSADO-RTXFEEFZSA-N 2 2 269.389 0.482 10 0 CCAELP Cn1cc[nH+]c1N1CCN(c2ccc(N)c[nH+]2)CC1 ZINC000050607009 527447072 /nfs/dbraw/zinc/44/70/72/527447072.db2.gz ZEJPLVMSJAUEQR-UHFFFAOYSA-N 2 2 258.329 0.724 10 0 CCAELP CC(C)S(=O)(=O)CC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261560540 535093830 /nfs/dbraw/zinc/09/38/30/535093830.db2.gz UTPFJDPWBWUAJR-TUAOUCFPSA-N 2 2 260.403 0.479 10 0 CCAELP CC(C)S(=O)(=O)CC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261560540 535093823 /nfs/dbraw/zinc/09/38/23/535093823.db2.gz UTPFJDPWBWUAJR-TUAOUCFPSA-N 2 2 260.403 0.479 10 0 CCAELP CCC[C@@H](C(=O)N1CC[NH+](CCOCC)CC1)[NH+](C)C ZINC000154806209 290691710 /nfs/dbraw/zinc/69/17/10/290691710.db2.gz ZWOGRYAGSUQKRC-AWEZNQCLSA-N 2 2 285.432 0.897 10 0 CCAELP C[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@@]1(C)C[NH3+] ZINC000311579695 232015844 /nfs/dbraw/zinc/01/58/44/232015844.db2.gz CJZFITIPOKFREW-NOZJJQNGSA-N 2 2 260.345 0.784 10 0 CCAELP CC(C)Cn1cc[nH+]c1CNC(=O)[C@@H]1COCC[NH2+]1 ZINC000262678877 137050110 /nfs/dbraw/zinc/05/01/10/137050110.db2.gz VHYLYCWHLAEQMO-NSHDSACASA-N 2 2 266.345 0.144 10 0 CCAELP CCOC(=O)c1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)o1 ZINC000263306882 137063467 /nfs/dbraw/zinc/06/34/67/137063467.db2.gz XZZSTQSERYUNTN-MWLCHTKSSA-N 2 2 268.313 0.126 10 0 CCAELP C[NH2+][C@H](C)C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000054075336 348541711 /nfs/dbraw/zinc/54/17/11/348541711.db2.gz PSIZRCGTNYAXDY-GFCCVEGCSA-N 2 2 262.357 0.334 10 0 CCAELP C[C@@H](C[NH+]1CCOCC1)NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054291605 348548077 /nfs/dbraw/zinc/54/80/77/348548077.db2.gz PMKJBQZQRWPZAN-STQMWFEESA-N 2 2 269.389 0.213 10 0 CCAELP O=C(NC1CCN(c2cccc[nH+]2)CC1)[C@@H]1COCC[NH2+]1 ZINC000088358293 349362053 /nfs/dbraw/zinc/36/20/53/349362053.db2.gz NGYBZSSBTNALSI-ZDUSSCGKSA-N 2 2 290.367 0.155 10 0 CCAELP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2C[NH+](C)CCO2)C[N@@H+]1C1CC1 ZINC000124914007 350110237 /nfs/dbraw/zinc/11/02/37/350110237.db2.gz PKOFCGGOPMTVFY-MBNYWOFBSA-N 2 2 296.415 0.241 10 0 CCAELP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2C[NH+](C)CCO2)C[N@H+]1C1CC1 ZINC000124914007 350110239 /nfs/dbraw/zinc/11/02/39/350110239.db2.gz PKOFCGGOPMTVFY-MBNYWOFBSA-N 2 2 296.415 0.241 10 0 CCAELP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2C[N@H+](C)CCO2)C[NH+]1C1CC1 ZINC000124914007 350110241 /nfs/dbraw/zinc/11/02/41/350110241.db2.gz PKOFCGGOPMTVFY-MBNYWOFBSA-N 2 2 296.415 0.241 10 0 CCAELP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)C[NH+]1C1CC1 ZINC000124914007 350110244 /nfs/dbraw/zinc/11/02/44/350110244.db2.gz PKOFCGGOPMTVFY-MBNYWOFBSA-N 2 2 296.415 0.241 10 0 CCAELP CC1CC[NH+](CCNC(=O)NC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000104788516 186024131 /nfs/dbraw/zinc/02/41/31/186024131.db2.gz YTYCRYHZWYRTGT-CQSZACIVSA-N 2 2 298.431 0.348 10 0 CCAELP CC1CC[NH+](CCNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000104788516 186024133 /nfs/dbraw/zinc/02/41/33/186024133.db2.gz YTYCRYHZWYRTGT-CQSZACIVSA-N 2 2 298.431 0.348 10 0 CCAELP CC[N@H+](CC(=O)NC[C@H](C)[NH+]1CCOCC1)C1CC1 ZINC000130930348 350254300 /nfs/dbraw/zinc/25/43/00/350254300.db2.gz QAPNASCUBXKQKK-LBPRGKRZSA-N 2 2 269.389 0.308 10 0 CCAELP CC[N@@H+](CC(=O)NC[C@H](C)[NH+]1CCOCC1)C1CC1 ZINC000130930348 350254303 /nfs/dbraw/zinc/25/43/03/350254303.db2.gz QAPNASCUBXKQKK-LBPRGKRZSA-N 2 2 269.389 0.308 10 0 CCAELP CC[NH+](CC)CCNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173779848 351055186 /nfs/dbraw/zinc/05/51/86/351055186.db2.gz GYUYRDRDUCEWIG-AWEZNQCLSA-N 2 2 298.431 0.444 10 0 CCAELP C[NH+](C)CC(=O)N1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000175987770 351153385 /nfs/dbraw/zinc/15/33/85/351153385.db2.gz ZAEGIABRWQJHEA-AWEZNQCLSA-N 2 2 282.432 0.177 10 0 CCAELP CN1CC[NH+]([C@H]2CCCCN(C(=O)C[NH+](C)C)C2)CC1 ZINC000175987770 351153386 /nfs/dbraw/zinc/15/33/86/351153386.db2.gz ZAEGIABRWQJHEA-AWEZNQCLSA-N 2 2 282.432 0.177 10 0 CCAELP C[C@@H]1CN(C(=O)C2([NH3+])CCCC2)C[C@@H]1[NH+]1CCOCC1 ZINC000178860885 351249687 /nfs/dbraw/zinc/24/96/87/351249687.db2.gz OWMVTSAXTISROT-OLZOCXBDSA-N 2 2 281.400 0.437 10 0 CCAELP C[N@H+](CC(=O)NC[C@H]1CCCO1)[C@@H]1CCC[NH2+]CC1 ZINC000226468041 352028320 /nfs/dbraw/zinc/02/83/20/352028320.db2.gz TVBBZSBTJZJDFB-CHWSQXEVSA-N 2 2 269.389 0.356 10 0 CCAELP C[N@@H+](CC(=O)NC[C@H]1CCCO1)[C@@H]1CCC[NH2+]CC1 ZINC000226468041 352028324 /nfs/dbraw/zinc/02/83/24/352028324.db2.gz TVBBZSBTJZJDFB-CHWSQXEVSA-N 2 2 269.389 0.356 10 0 CCAELP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1COCC[NH2+]1 ZINC000237517237 352268686 /nfs/dbraw/zinc/26/86/86/352268686.db2.gz SNWZDSBVQZVDKD-RQJABVFESA-N 2 2 283.416 0.457 10 0 CCAELP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1COCC[NH2+]1 ZINC000237517237 352268687 /nfs/dbraw/zinc/26/86/87/352268687.db2.gz SNWZDSBVQZVDKD-RQJABVFESA-N 2 2 283.416 0.457 10 0 CCAELP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000237718339 352279936 /nfs/dbraw/zinc/27/99/36/352279936.db2.gz DOGQRTKXXWVNJN-STQMWFEESA-N 2 2 283.416 0.602 10 0 CCAELP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000237718339 352279937 /nfs/dbraw/zinc/27/99/37/352279937.db2.gz DOGQRTKXXWVNJN-STQMWFEESA-N 2 2 283.416 0.602 10 0 CCAELP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000237714596 352279988 /nfs/dbraw/zinc/27/99/88/352279988.db2.gz KJBDUVVUYHNZOE-MJBXVCDLSA-N 2 2 297.443 0.848 10 0 CCAELP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000237714596 352279989 /nfs/dbraw/zinc/27/99/89/352279989.db2.gz KJBDUVVUYHNZOE-MJBXVCDLSA-N 2 2 297.443 0.848 10 0 CCAELP CCc1nc(NCC(=O)N2CC[NH2+]CC2)cc(C)[nH+]1 ZINC000311636205 354202458 /nfs/dbraw/zinc/20/24/58/354202458.db2.gz WNKTZVIMNQIFKX-UHFFFAOYSA-N 2 2 263.345 0.191 10 0 CCAELP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(S(N)(=O)=O)cc2)C1 ZINC000394217579 357755404 /nfs/dbraw/zinc/75/54/04/357755404.db2.gz IWFIQNVIALHKOZ-GFCCVEGCSA-N 2 2 283.397 0.518 10 0 CCAELP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(S(N)(=O)=O)cc2)C1 ZINC000394217579 357755409 /nfs/dbraw/zinc/75/54/09/357755409.db2.gz IWFIQNVIALHKOZ-GFCCVEGCSA-N 2 2 283.397 0.518 10 0 CCAELP NC(=O)c1c[nH+]ccc1NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000302021401 201303011 /nfs/dbraw/zinc/30/30/11/201303011.db2.gz IGJWKNUYWQOMRH-NSHDSACASA-N 2 2 276.340 0.456 10 0 CCAELP NC(=O)c1c[nH+]ccc1NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000302021401 201303015 /nfs/dbraw/zinc/30/30/15/201303015.db2.gz IGJWKNUYWQOMRH-NSHDSACASA-N 2 2 276.340 0.456 10 0 CCAELP NC(=O)c1c[nH+]ccc1NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000302021399 201303266 /nfs/dbraw/zinc/30/32/66/201303266.db2.gz IGJWKNUYWQOMRH-LLVKDONJSA-N 2 2 276.340 0.456 10 0 CCAELP NC(=O)c1c[nH+]ccc1NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000302021399 201303267 /nfs/dbraw/zinc/30/32/67/201303267.db2.gz IGJWKNUYWQOMRH-LLVKDONJSA-N 2 2 276.340 0.456 10 0 CCAELP [NH3+]CC[N@@H+]1CCCOC[C@H]1c1ccc(CCO)cc1 ZINC000616645829 365404157 /nfs/dbraw/zinc/40/41/57/365404157.db2.gz PNLDBNKTRHSMIO-HNNXBMFYSA-N 2 2 264.369 0.944 10 0 CCAELP [NH3+]CC[N@H+]1CCCOC[C@H]1c1ccc(CCO)cc1 ZINC000616645829 365404159 /nfs/dbraw/zinc/40/41/59/365404159.db2.gz PNLDBNKTRHSMIO-HNNXBMFYSA-N 2 2 264.369 0.944 10 0 CCAELP CO[C@H]1C[N@H+](CCCc2c[nH+]cn2C)[C@@](C)(C[NH3+])C1 ZINC000630369623 370070992 /nfs/dbraw/zinc/07/09/92/370070992.db2.gz WZPRJMDZYVEBRN-ZIAGYGMSSA-N 3 2 266.389 0.791 10 0 CCAELP CO[C@H]1C[N@@H+](CCCc2c[nH+]cn2C)[C@@](C)(C[NH3+])C1 ZINC000630369623 370070997 /nfs/dbraw/zinc/07/09/97/370070997.db2.gz WZPRJMDZYVEBRN-ZIAGYGMSSA-N 3 2 266.389 0.791 10 0 CCAELP CCOCC[N@@H+]1CCN(CC[NH+]2CCO[C@H](C)C2)C[C@@H]1C ZINC000192734843 389049911 /nfs/dbraw/zinc/04/99/11/389049911.db2.gz FBBWMBDOYLUFBE-JKSUJKDBSA-N 2 2 299.459 0.750 10 0 CCAELP CCOCC[N@H+]1CCN(CC[NH+]2CCO[C@H](C)C2)C[C@@H]1C ZINC000192734843 389049915 /nfs/dbraw/zinc/04/99/15/389049915.db2.gz FBBWMBDOYLUFBE-JKSUJKDBSA-N 2 2 299.459 0.750 10 0 CCAELP CCOCC[NH+]1CCN(CC[N@H+]2CCO[C@H](C)C2)C[C@@H]1C ZINC000192734843 389049923 /nfs/dbraw/zinc/04/99/23/389049923.db2.gz FBBWMBDOYLUFBE-JKSUJKDBSA-N 2 2 299.459 0.750 10 0 CCAELP CCc1cc(N2CC[NH+]([C@H](C)C(N)=O)CC2)nc(C)[nH+]1 ZINC000302056184 389062879 /nfs/dbraw/zinc/06/28/79/389062879.db2.gz AGGVWBMMKOJIFG-SNVBAGLBSA-N 2 2 277.372 0.343 10 0 CCAELP CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000194147055 389088965 /nfs/dbraw/zinc/08/89/65/389088965.db2.gz SQMAENOEESGXSY-UONOGXRCSA-N 2 2 298.431 0.491 10 0 CCAELP CC[N@H+]1CCC[C@@H](NC(=O)N[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000194147055 389088968 /nfs/dbraw/zinc/08/89/68/389088968.db2.gz SQMAENOEESGXSY-UONOGXRCSA-N 2 2 298.431 0.491 10 0 CCAELP CCC[C@H](C(=O)N[C@H](C)C[NH+]1CCOCC1)[NH+](C)C ZINC000136033220 389263374 /nfs/dbraw/zinc/26/33/74/389263374.db2.gz KZSRBYCNXCSVSG-CHWSQXEVSA-N 2 2 271.405 0.554 10 0 CCAELP C[C@H](O)C[N@H+]1CCN(CCCn2cc[nH+]c2)C[C@H]1C ZINC000245842994 389219410 /nfs/dbraw/zinc/21/94/10/389219410.db2.gz CZALNTSNMBGUIA-KGLIPLIRSA-N 2 2 266.389 0.660 10 0 CCAELP OC[C@@H]1CCCCN1c1cc(N[C@@H]2CCC[NH2+]C2)nc[nH+]1 ZINC000333618793 389436684 /nfs/dbraw/zinc/43/66/84/389436684.db2.gz ZCGGPVPYKMREJQ-OLZOCXBDSA-N 2 2 291.399 0.992 10 0 CCAELP CC[C@@H]1CN(Cc2c[nH+]cn2C)CC[N@@H+]1C[C@@H](C)O ZINC000177054128 389570713 /nfs/dbraw/zinc/57/07/13/389570713.db2.gz BWVDSVCSURPASY-CHWSQXEVSA-N 2 2 266.389 0.697 10 0 CCAELP CC[C@@H]1CN(Cc2c[nH+]cn2C)CC[N@H+]1C[C@@H](C)O ZINC000177054128 389570719 /nfs/dbraw/zinc/57/07/19/389570719.db2.gz BWVDSVCSURPASY-CHWSQXEVSA-N 2 2 266.389 0.697 10 0 CCAELP C[C@]1(F)C[NH2+]CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000336221967 389628843 /nfs/dbraw/zinc/62/88/43/389628843.db2.gz OVDPOIDTDAHYBA-WPRPVWTQSA-N 2 2 265.279 0.144 10 0 CCAELP CCOCC[N@H+]1CCN([C@@H](C)C[NH+]2CCOCC2)C[C@@H]1C ZINC000180613878 389672556 /nfs/dbraw/zinc/67/25/56/389672556.db2.gz GAXVFLICOFCNTG-HOTGVXAUSA-N 2 2 299.459 0.750 10 0 CCAELP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)CO[C@@H](C)COC)C1 ZINC000389264524 389771589 /nfs/dbraw/zinc/77/15/89/389771589.db2.gz PJQMIOBYZMBUNG-RWMBFGLXSA-N 2 2 260.378 0.083 10 0 CCAELP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)CO[C@@H](C)COC)C1 ZINC000389264524 389771592 /nfs/dbraw/zinc/77/15/92/389771592.db2.gz PJQMIOBYZMBUNG-RWMBFGLXSA-N 2 2 260.378 0.083 10 0 CCAELP COC[C@]1(C(=O)NCCCCn2cc[nH+]c2)CCC[NH2+]1 ZINC000649303073 390563181 /nfs/dbraw/zinc/56/31/81/390563181.db2.gz SEPFOIOXCOJWAI-AWEZNQCLSA-N 2 2 280.372 0.548 10 0 CCAELP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCC[C@@H]1[N@@H+]1CC[C@H](O)C1 ZINC000643960059 390607821 /nfs/dbraw/zinc/60/78/21/390607821.db2.gz MZSOJUYGKLRBQA-ZNMIVQPWSA-N 3 2 278.400 0.540 10 0 CCAELP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCC[C@@H]1[N@H+]1CC[C@H](O)C1 ZINC000643960059 390607823 /nfs/dbraw/zinc/60/78/23/390607823.db2.gz MZSOJUYGKLRBQA-ZNMIVQPWSA-N 3 2 278.400 0.540 10 0 CCAELP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCC[C@@H]1N1CC[C@H](O)C1 ZINC000643960059 390607826 /nfs/dbraw/zinc/60/78/26/390607826.db2.gz MZSOJUYGKLRBQA-ZNMIVQPWSA-N 2 2 278.400 0.540 10 0 CCAELP O=C(CC1CC[NH2+]CC1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062976681 411686579 /nfs/dbraw/zinc/68/65/79/411686579.db2.gz PCQZPXMKZYLYII-AWEZNQCLSA-N 2 2 281.400 0.309 10 0 CCAELP CC(C)([NH3+])CCC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000070088483 411690580 /nfs/dbraw/zinc/69/05/80/411690580.db2.gz OOHJSOCAULWHEY-GFCCVEGCSA-N 2 2 269.389 0.437 10 0 CCAELP CC(C)CNC(=O)[C@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000038042825 174047442 /nfs/dbraw/zinc/04/74/42/174047442.db2.gz SWSRRKDETCEBGB-CYBMUJFWSA-N 2 2 253.390 0.975 10 0 CCAELP CC(C)CNC(=O)[C@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000038042825 174047443 /nfs/dbraw/zinc/04/74/43/174047443.db2.gz SWSRRKDETCEBGB-CYBMUJFWSA-N 2 2 253.390 0.975 10 0 CCAELP O[C@H](C[N@@H+]1CCC[NH2+]CC1)c1ccc2c(c1)OCO2 ZINC000041377107 174537270 /nfs/dbraw/zinc/53/72/70/174537270.db2.gz NFNCQRATSBGHEX-GFCCVEGCSA-N 2 2 264.325 0.744 10 0 CCAELP O[C@H](C[N@H+]1CCC[NH2+]CC1)c1ccc2c(c1)OCO2 ZINC000041377107 174537272 /nfs/dbraw/zinc/53/72/72/174537272.db2.gz NFNCQRATSBGHEX-GFCCVEGCSA-N 2 2 264.325 0.744 10 0 CCAELP COC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1Cc1ccccc1 ZINC000044329108 175163286 /nfs/dbraw/zinc/16/32/86/175163286.db2.gz HEDDCUUTTOFLAZ-ZDUSSCGKSA-N 2 2 259.309 0.974 10 0 CCAELP C[N@H+]([C@@H]1C[C@@H]([NH3+])C12CCOCC2)C1CC[NH+](C)CC1 ZINC000725264492 545884878 /nfs/dbraw/zinc/88/48/78/545884878.db2.gz QRHUIFRFNNWCOC-ZIAGYGMSSA-N 3 2 267.417 0.909 10 0 CCAELP C[N@@H+]([C@@H]1C[C@@H]([NH3+])C12CCOCC2)C1CC[NH+](C)CC1 ZINC000725264492 545884882 /nfs/dbraw/zinc/88/48/82/545884882.db2.gz QRHUIFRFNNWCOC-ZIAGYGMSSA-N 3 2 267.417 0.909 10 0 CCAELP C[C@]1(C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CCCC[NH2+]1 ZINC000136194699 544638195 /nfs/dbraw/zinc/63/81/95/544638195.db2.gz UYXJCLUFPLUIBO-GOEBONIOSA-N 2 2 295.427 0.842 10 0 CCAELP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCC[N@@H+](C)CC1)C2 ZINC000220622654 544816603 /nfs/dbraw/zinc/81/66/03/544816603.db2.gz LWIBELCUJMVBSA-LBPRGKRZSA-N 2 2 276.384 0.987 10 0 CCAELP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCC[N@H+](C)CC1)C2 ZINC000220622654 544816607 /nfs/dbraw/zinc/81/66/07/544816607.db2.gz LWIBELCUJMVBSA-LBPRGKRZSA-N 2 2 276.384 0.987 10 0 CCAELP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCC[N@@H+](C)CC1)CC2 ZINC000220622654 544816611 /nfs/dbraw/zinc/81/66/11/544816611.db2.gz LWIBELCUJMVBSA-LBPRGKRZSA-N 2 2 276.384 0.987 10 0 CCAELP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCC[N@H+](C)CC1)CC2 ZINC000220622654 544816613 /nfs/dbraw/zinc/81/66/13/544816613.db2.gz LWIBELCUJMVBSA-LBPRGKRZSA-N 2 2 276.384 0.987 10 0 CCAELP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000333826143 545043475 /nfs/dbraw/zinc/04/34/75/545043475.db2.gz LQFBCCCVYWWCJO-FQUUOJAGSA-N 2 2 296.415 0.241 10 0 CCAELP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000333826143 545043477 /nfs/dbraw/zinc/04/34/77/545043477.db2.gz LQFBCCCVYWWCJO-FQUUOJAGSA-N 2 2 296.415 0.241 10 0 CCAELP C[C@@H]1CN(C(=O)[C@H]2CCCn3cc[nH+]c32)CC[N@@H+]1CCO ZINC000250087393 274329570 /nfs/dbraw/zinc/32/95/70/274329570.db2.gz PWLLKFWYWDRHLB-OLZOCXBDSA-N 2 2 292.383 0.286 10 0 CCAELP C[C@@H]1CN(C(=O)[C@H]2CCCn3cc[nH+]c32)CC[N@H+]1CCO ZINC000250087393 274329571 /nfs/dbraw/zinc/32/95/71/274329571.db2.gz PWLLKFWYWDRHLB-OLZOCXBDSA-N 2 2 292.383 0.286 10 0 CCAELP CC(C)(C)[C@H]([NH3+])C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000062976694 275530186 /nfs/dbraw/zinc/53/01/86/275530186.db2.gz RXLAQOFWPXNGQL-VXGBXAGGSA-N 2 2 269.389 0.293 10 0 CCAELP C[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+]3CCCC[C@H]3C2)C1 ZINC000245465203 277118076 /nfs/dbraw/zinc/11/80/76/277118076.db2.gz QDHXLDFOAPGBSB-QWHCGFSZSA-N 2 2 267.373 0.014 10 0 CCAELP C[N@H+]1CCO[C@@H](C(=O)N2CC[NH+]3CCCC[C@H]3C2)C1 ZINC000245465203 277118077 /nfs/dbraw/zinc/11/80/77/277118077.db2.gz QDHXLDFOAPGBSB-QWHCGFSZSA-N 2 2 267.373 0.014 10 0 CCAELP C[NH+]1CCO[C@@H](C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)C1 ZINC000245465203 277118079 /nfs/dbraw/zinc/11/80/79/277118079.db2.gz QDHXLDFOAPGBSB-QWHCGFSZSA-N 2 2 267.373 0.014 10 0 CCAELP C[NH+]1CCO[C@@H](C(=O)N2CC[N@H+]3CCCC[C@H]3C2)C1 ZINC000245465203 277118080 /nfs/dbraw/zinc/11/80/80/277118080.db2.gz QDHXLDFOAPGBSB-QWHCGFSZSA-N 2 2 267.373 0.014 10 0 CCAELP CC(C)(C)[C@H]([NH3+])C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062976693 277248661 /nfs/dbraw/zinc/24/86/61/277248661.db2.gz RXLAQOFWPXNGQL-NWDGAFQWSA-N 2 2 269.389 0.293 10 0 CCAELP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000174849660 288303599 /nfs/dbraw/zinc/30/35/99/288303599.db2.gz PFFKLEVJAVOEOD-UPJWGTAASA-N 2 2 267.373 0.012 10 0 CCAELP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000174849660 288303600 /nfs/dbraw/zinc/30/36/00/288303600.db2.gz PFFKLEVJAVOEOD-UPJWGTAASA-N 2 2 267.373 0.012 10 0 CCAELP C[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000174849660 288303601 /nfs/dbraw/zinc/30/36/01/288303601.db2.gz PFFKLEVJAVOEOD-UPJWGTAASA-N 2 2 267.373 0.012 10 0 CCAELP C[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000174849660 288303602 /nfs/dbraw/zinc/30/36/02/288303602.db2.gz PFFKLEVJAVOEOD-UPJWGTAASA-N 2 2 267.373 0.012 10 0 CCAELP [NH3+]C[C@@H](NC(=O)CCn1cc[nH+]c1)C(F)(F)F ZINC000401768796 545090538 /nfs/dbraw/zinc/09/05/38/545090538.db2.gz CHCAHDFCZYGMNJ-SSDOTTSWSA-N 2 2 250.224 0.279 10 0 CCAELP CC[NH2+][C@](C)(CN1CCC[C@@H]1C[NH+](C)C)C(=O)OC ZINC000061652980 520231321 /nfs/dbraw/zinc/23/13/21/520231321.db2.gz ZTXIBQZQLRUODU-TZMCWYRMSA-N 2 2 271.405 0.554 10 0 CCAELP C[NH+](C)C[C@@H]1CCCN1CC[N@@H+]1CCC[NH2+]CC1 ZINC000061652373 521838140 /nfs/dbraw/zinc/83/81/40/521838140.db2.gz WPZKPJSEWKVZSA-AWEZNQCLSA-N 3 2 254.422 0.308 10 0 CCAELP C[NH+](C)C[C@@H]1CCCN1CC[N@H+]1CCC[NH2+]CC1 ZINC000061652373 521838153 /nfs/dbraw/zinc/83/81/53/521838153.db2.gz WPZKPJSEWKVZSA-AWEZNQCLSA-N 3 2 254.422 0.308 10 0 CCAELP C[C@@H]1CC[C@H](C(=O)N(C)Cc2[nH+]ccn2C)C[NH2+]1 ZINC000062256834 524628840 /nfs/dbraw/zinc/62/88/40/524628840.db2.gz UROWJAYLVBYFSD-MNOVXSKESA-N 2 2 250.346 0.767 10 0 CCAELP O=S(=O)([C@H]1CC[N@H+](CCn2cc[nH+]c2)C1)N1CCCC1 ZINC000163364145 527261892 /nfs/dbraw/zinc/26/18/92/527261892.db2.gz QVSQCRDWBQXNHX-ZDUSSCGKSA-N 2 2 298.412 0.383 10 0 CCAELP O=S(=O)([C@H]1CC[N@@H+](CCn2cc[nH+]c2)C1)N1CCCC1 ZINC000163364145 527261897 /nfs/dbraw/zinc/26/18/97/527261897.db2.gz QVSQCRDWBQXNHX-ZDUSSCGKSA-N 2 2 298.412 0.383 10 0 CCAELP [NH3+]C1(c2ncc(Br)cn2)CC[NH2+]CC1 ZINC000675073460 545321113 /nfs/dbraw/zinc/32/11/13/545321113.db2.gz JBGHNAKLIDCOCZ-UHFFFAOYSA-N 2 2 257.135 0.777 10 0 CCAELP CCC[C@@](C)([NH3+])C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000262693091 535529054 /nfs/dbraw/zinc/52/90/54/535529054.db2.gz BKTHXFGDZNWONF-TZMCWYRMSA-N 2 2 269.389 0.483 10 0 CCAELP CCC[C@@](C)([NH3+])C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000262693091 535529059 /nfs/dbraw/zinc/52/90/59/535529059.db2.gz BKTHXFGDZNWONF-TZMCWYRMSA-N 2 2 269.389 0.483 10 0 CCAELP C[C@H]1OCC[C@H]1NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000124839157 187157201 /nfs/dbraw/zinc/15/72/01/187157201.db2.gz ARYKKBXSMYKDAE-TZMCWYRMSA-N 2 2 298.431 0.489 10 0 CCAELP C[N@@H+]1CCO[C@H](CNC(=O)N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000105283327 349721564 /nfs/dbraw/zinc/72/15/64/349721564.db2.gz VCXMDVCCLYZIIB-UONOGXRCSA-N 2 2 296.415 0.197 10 0 CCAELP C[N@H+]1CCO[C@H](CNC(=O)N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000105283327 349721566 /nfs/dbraw/zinc/72/15/66/349721566.db2.gz VCXMDVCCLYZIIB-UONOGXRCSA-N 2 2 296.415 0.197 10 0 CCAELP Cc1[nH+]ccn1CC[N@@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329176062 282207691 /nfs/dbraw/zinc/20/76/91/282207691.db2.gz MHUSXBMVKLPFGY-NWDGAFQWSA-N 2 2 269.370 0.310 10 0 CCAELP Cc1[nH+]ccn1CC[N@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000329176062 282207692 /nfs/dbraw/zinc/20/76/92/282207692.db2.gz MHUSXBMVKLPFGY-NWDGAFQWSA-N 2 2 269.370 0.310 10 0 CCAELP Cc1cc(NC(=O)NC[C@H]2C[N@H+](C)CCO2)cc[nH+]1 ZINC000119382655 349933129 /nfs/dbraw/zinc/93/31/29/349933129.db2.gz VDLQGGCGBVVAND-LBPRGKRZSA-N 2 2 264.329 0.842 10 0 CCAELP Cc1cc(NC(=O)NC[C@H]2C[N@@H+](C)CCO2)cc[nH+]1 ZINC000119382655 349933130 /nfs/dbraw/zinc/93/31/30/349933130.db2.gz VDLQGGCGBVVAND-LBPRGKRZSA-N 2 2 264.329 0.842 10 0 CCAELP c1nc(N2CCOCC2)cc(NC[C@H]2CC[NH2+]C2)[nH+]1 ZINC000258599434 137005798 /nfs/dbraw/zinc/00/57/98/137005798.db2.gz HHFPFCQFSQJEQR-NSHDSACASA-N 2 2 263.345 0.335 10 0 CCAELP c1nc(NC[C@H]2CC[NH2+]C2)cc(N2CCOCC2)[nH+]1 ZINC000258599434 137005799 /nfs/dbraw/zinc/00/57/99/137005799.db2.gz HHFPFCQFSQJEQR-NSHDSACASA-N 2 2 263.345 0.335 10 0 CCAELP CN(CC1CC1)C(=O)C[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261639191 137013469 /nfs/dbraw/zinc/01/34/69/137013469.db2.gz GCCZGNPJJNCURK-GFCCVEGCSA-N 2 2 253.390 0.914 10 0 CCAELP CN(CC1CC1)C(=O)C[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261639191 137013470 /nfs/dbraw/zinc/01/34/70/137013470.db2.gz GCCZGNPJJNCURK-GFCCVEGCSA-N 2 2 253.390 0.914 10 0 CCAELP CCOCCNC(=O)C[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261756099 137018199 /nfs/dbraw/zinc/01/81/99/137018199.db2.gz LLGRFKFWQNIRFI-NSHDSACASA-N 2 2 257.378 0.198 10 0 CCAELP CCOCCNC(=O)C[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261756099 137018200 /nfs/dbraw/zinc/01/82/00/137018200.db2.gz LLGRFKFWQNIRFI-NSHDSACASA-N 2 2 257.378 0.198 10 0 CCAELP Cc1[nH+]cc(CNC[C@H]2C[NH2+]C[C@@H]2O)n1-c1ccccc1 ZINC000263154590 137059289 /nfs/dbraw/zinc/05/92/89/137059289.db2.gz DHDBIQHOTHKGPN-BBRMVZONSA-N 2 2 286.379 0.851 10 0 CCAELP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cc(F)c(F)cc1F ZINC000263167105 137059448 /nfs/dbraw/zinc/05/94/48/137059448.db2.gz FHAYAFCGHDKPQS-PRHODGIISA-N 2 2 260.259 0.774 10 0 CCAELP CCN(CC)c1ccc(CNC(=O)C2C[NH2+]C2)c[nH+]1 ZINC000263313902 137063700 /nfs/dbraw/zinc/06/37/00/137063700.db2.gz PVNPLYZFSALVML-UHFFFAOYSA-N 2 2 262.357 0.763 10 0 CCAELP CC[C@H](C(=O)NC[C@H](C)[NH+]1CCOCC1)[NH+](C)C ZINC000124752359 350106373 /nfs/dbraw/zinc/10/63/73/350106373.db2.gz JLMMGOBFQPNCJV-NWDGAFQWSA-N 2 2 257.378 0.164 10 0 CCAELP CN(C)c1ccc(C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000124341635 350096993 /nfs/dbraw/zinc/09/69/93/350096993.db2.gz YSKCVCJSPGEFBT-AWEZNQCLSA-N 2 2 276.384 0.468 10 0 CCAELP CN(C)c1ccc(C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000124341635 350096994 /nfs/dbraw/zinc/09/69/94/350096994.db2.gz YSKCVCJSPGEFBT-AWEZNQCLSA-N 2 2 276.384 0.468 10 0 CCAELP CC[C@H](C(N)=O)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863656 186081164 /nfs/dbraw/zinc/08/11/64/186081164.db2.gz YKKWUTQARDNLHG-CQSZACIVSA-N 2 2 293.415 0.543 10 0 CCAELP CC[C@H](C(N)=O)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863656 186081165 /nfs/dbraw/zinc/08/11/65/186081165.db2.gz YKKWUTQARDNLHG-CQSZACIVSA-N 2 2 293.415 0.543 10 0 CCAELP C[NH+](C)[C@H]1CCN(C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000170862509 350868767 /nfs/dbraw/zinc/86/87/67/350868767.db2.gz SZKPETWROHAMCE-ZDUSSCGKSA-N 2 2 298.431 0.443 10 0 CCAELP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H]2C[NH+](C)CCO2)C1 ZINC000176546393 351178398 /nfs/dbraw/zinc/17/83/98/351178398.db2.gz HEDQNVGTTGYACA-MCIONIFRSA-N 2 2 298.431 0.345 10 0 CCAELP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H]2C[N@H+](C)CCO2)C1 ZINC000176546393 351178399 /nfs/dbraw/zinc/17/83/99/351178399.db2.gz HEDQNVGTTGYACA-MCIONIFRSA-N 2 2 298.431 0.345 10 0 CCAELP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000176546393 351178400 /nfs/dbraw/zinc/17/84/00/351178400.db2.gz HEDQNVGTTGYACA-MCIONIFRSA-N 2 2 298.431 0.345 10 0 CCAELP C[C@H](C[NH+]1CCOCC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000180624154 351290883 /nfs/dbraw/zinc/29/08/83/351290883.db2.gz HOIYBVQYTXVPEV-ZIAGYGMSSA-N 2 2 253.390 0.487 10 0 CCAELP C[C@H](C[NH+]1CCOCC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000180624154 351290885 /nfs/dbraw/zinc/29/08/85/351290885.db2.gz HOIYBVQYTXVPEV-ZIAGYGMSSA-N 2 2 253.390 0.487 10 0 CCAELP C[N@H+]1C[C@@H]2C[NH+](C[C@@H](O)CC(F)(F)F)C[C@@H]2C1 ZINC000193615761 351836010 /nfs/dbraw/zinc/83/60/10/351836010.db2.gz UTTWYDVEYWWUEY-AEJSXWLSSA-N 2 2 252.280 0.793 10 0 CCAELP C[N@@H+]1C[C@@H]2C[NH+](C[C@@H](O)CC(F)(F)F)C[C@@H]2C1 ZINC000193615761 351836011 /nfs/dbraw/zinc/83/60/11/351836011.db2.gz UTTWYDVEYWWUEY-AEJSXWLSSA-N 2 2 252.280 0.793 10 0 CCAELP C[NH+]1C[C@@H]2C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@@H]2C1 ZINC000193615761 351836014 /nfs/dbraw/zinc/83/60/14/351836014.db2.gz UTTWYDVEYWWUEY-AEJSXWLSSA-N 2 2 252.280 0.793 10 0 CCAELP C[NH+]1C[C@@H]2C[N@H+](C[C@@H](O)CC(F)(F)F)C[C@@H]2C1 ZINC000193615761 351836015 /nfs/dbraw/zinc/83/60/15/351836015.db2.gz UTTWYDVEYWWUEY-AEJSXWLSSA-N 2 2 252.280 0.793 10 0 CCAELP COCC[N@@H+]1CCN(CCn2cc[nH+]c2)C[C@H]1C ZINC000122657491 187044617 /nfs/dbraw/zinc/04/46/17/187044617.db2.gz ZEBOQSSFGQVZRQ-CYBMUJFWSA-N 2 2 252.362 0.536 10 0 CCAELP COCC[N@H+]1CCN(CCn2cc[nH+]c2)C[C@H]1C ZINC000122657491 187044618 /nfs/dbraw/zinc/04/46/18/187044618.db2.gz ZEBOQSSFGQVZRQ-CYBMUJFWSA-N 2 2 252.362 0.536 10 0 CCAELP COc1c(C[NH2+]C[C@](C)(O)C[NH+](C)C)c(C)nn1C ZINC000228724535 352083162 /nfs/dbraw/zinc/08/31/62/352083162.db2.gz JZIXYOYAAFVUEO-ZDUSSCGKSA-N 2 2 270.377 0.139 10 0 CCAELP C[NH+](C)[C@H](C(=O)NC[C@@H]1C[N@H+](C)CCO1)c1ccccc1 ZINC000245202566 352316056 /nfs/dbraw/zinc/31/60/56/352316056.db2.gz TVBZACOVMHURMS-CABCVRRESA-N 2 2 291.395 0.736 10 0 CCAELP C[NH+](C)[C@H](C(=O)NC[C@@H]1C[N@@H+](C)CCO1)c1ccccc1 ZINC000245202566 352316059 /nfs/dbraw/zinc/31/60/59/352316059.db2.gz TVBZACOVMHURMS-CABCVRRESA-N 2 2 291.395 0.736 10 0 CCAELP C[NH+](C)C[C@@H](NC(=O)[C@H]1C[N@H+](C)CCO1)c1ccccc1 ZINC000245421308 352321243 /nfs/dbraw/zinc/32/12/43/352321243.db2.gz CPGLCWDVNFQKCY-HUUCEWRRSA-N 2 2 291.395 0.736 10 0 CCAELP C[NH+](C)C[C@@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)c1ccccc1 ZINC000245421308 352321248 /nfs/dbraw/zinc/32/12/48/352321248.db2.gz CPGLCWDVNFQKCY-HUUCEWRRSA-N 2 2 291.395 0.736 10 0 CCAELP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000245925435 352341190 /nfs/dbraw/zinc/34/11/90/352341190.db2.gz VVAQREJFUAPRDR-KBPBESRZSA-N 2 2 283.416 0.698 10 0 CCAELP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000245925435 352341193 /nfs/dbraw/zinc/34/11/93/352341193.db2.gz VVAQREJFUAPRDR-KBPBESRZSA-N 2 2 283.416 0.698 10 0 CCAELP C[N@@H+]1CCC[C@H]2C[NH+](Cc3nccc(N)n3)CC[C@H]21 ZINC000246414220 352365577 /nfs/dbraw/zinc/36/55/77/352365577.db2.gz BSHTZEUBYGKVFG-NWDGAFQWSA-N 2 2 261.373 0.975 10 0 CCAELP C[N@H+]1CCC[C@H]2C[NH+](Cc3nccc(N)n3)CC[C@H]21 ZINC000246414220 352365578 /nfs/dbraw/zinc/36/55/78/352365578.db2.gz BSHTZEUBYGKVFG-NWDGAFQWSA-N 2 2 261.373 0.975 10 0 CCAELP C[NH+]1CCC[C@H]2C[N@H+](Cc3nccc(N)n3)CC[C@H]21 ZINC000246414220 352365583 /nfs/dbraw/zinc/36/55/83/352365583.db2.gz BSHTZEUBYGKVFG-NWDGAFQWSA-N 2 2 261.373 0.975 10 0 CCAELP C[NH+]1CCC[C@H]2C[N@@H+](Cc3nccc(N)n3)CC[C@H]21 ZINC000246414220 352365585 /nfs/dbraw/zinc/36/55/85/352365585.db2.gz BSHTZEUBYGKVFG-NWDGAFQWSA-N 2 2 261.373 0.975 10 0 CCAELP C[N@@H+]1CCO[C@@H](CNC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000246514677 352371027 /nfs/dbraw/zinc/37/10/27/352371027.db2.gz VCXMDVCCLYZIIB-KGLIPLIRSA-N 2 2 296.415 0.197 10 0 CCAELP C[N@H+]1CCO[C@@H](CNC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000246514677 352371031 /nfs/dbraw/zinc/37/10/31/352371031.db2.gz VCXMDVCCLYZIIB-KGLIPLIRSA-N 2 2 296.415 0.197 10 0 CCAELP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NC[C@@H]2C[N@H+](C)CCO2)C1 ZINC000247061604 352396778 /nfs/dbraw/zinc/39/67/78/352396778.db2.gz OCGWSRPBZRTPFU-BFHYXJOUSA-N 2 2 298.431 0.489 10 0 CCAELP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000247061604 352396783 /nfs/dbraw/zinc/39/67/83/352396783.db2.gz OCGWSRPBZRTPFU-BFHYXJOUSA-N 2 2 298.431 0.489 10 0 CCAELP CN(C[C@H]1CCn2cc[nH+]c2C1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000328636949 354243141 /nfs/dbraw/zinc/24/31/41/354243141.db2.gz VUPLKAOHZAMJAV-STQMWFEESA-N 2 2 292.383 0.235 10 0 CCAELP CN(C[C@H]1CCn2cc[nH+]c2C1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000328636949 354243145 /nfs/dbraw/zinc/24/31/45/354243145.db2.gz VUPLKAOHZAMJAV-STQMWFEESA-N 2 2 292.383 0.235 10 0 CCAELP CO[C@@H]1C[N@H+](CCOC[C@@H]2CCCO2)[C@@](C)(C[NH3+])C1 ZINC000630365645 370066646 /nfs/dbraw/zinc/06/66/46/370066646.db2.gz RUXYZCNUBWLNFO-MELADBBJSA-N 2 2 272.389 0.620 10 0 CCAELP CO[C@@H]1C[N@@H+](CCOC[C@@H]2CCCO2)[C@@](C)(C[NH3+])C1 ZINC000630365645 370066651 /nfs/dbraw/zinc/06/66/51/370066651.db2.gz RUXYZCNUBWLNFO-MELADBBJSA-N 2 2 272.389 0.620 10 0 CCAELP C[C@@H]1CN(C(=O)Cc2cn3ccccc3[nH+]2)C[C@@H]1C[NH3+] ZINC000638892575 375430356 /nfs/dbraw/zinc/43/03/56/375430356.db2.gz JPOTYYLAIGGQMV-NEPJUHHUSA-N 2 2 272.352 0.930 10 0 CCAELP CC[N@H+](CC(=O)N1CC[NH+](CCOC)[C@@H](C)C1)C1CC1 ZINC000246214871 285010224 /nfs/dbraw/zinc/01/02/24/285010224.db2.gz CQJGVKZHQZLTOJ-ZDUSSCGKSA-N 2 2 283.416 0.650 10 0 CCAELP CC[N@@H+](CC(=O)N1CC[NH+](CCOC)[C@@H](C)C1)C1CC1 ZINC000246214871 285010227 /nfs/dbraw/zinc/01/02/27/285010227.db2.gz CQJGVKZHQZLTOJ-ZDUSSCGKSA-N 2 2 283.416 0.650 10 0 CCAELP CC[NH+](CC(=O)N1CC[N@H+](CCOC)[C@@H](C)C1)C1CC1 ZINC000246214871 285010229 /nfs/dbraw/zinc/01/02/29/285010229.db2.gz CQJGVKZHQZLTOJ-ZDUSSCGKSA-N 2 2 283.416 0.650 10 0 CCAELP CC[NH+](CC(=O)N1CC[N@@H+](CCOC)[C@@H](C)C1)C1CC1 ZINC000246214871 285010234 /nfs/dbraw/zinc/01/02/34/285010234.db2.gz CQJGVKZHQZLTOJ-ZDUSSCGKSA-N 2 2 283.416 0.650 10 0 CCAELP CCOCC[N@@H+]1CCN(CC[NH+]2CCO[C@@H](C)C2)C[C@@H]1C ZINC000249216144 285106660 /nfs/dbraw/zinc/10/66/60/285106660.db2.gz FBBWMBDOYLUFBE-HOTGVXAUSA-N 2 2 299.459 0.750 10 0 CCAELP CCOCC[N@H+]1CCN(CC[NH+]2CCO[C@@H](C)C2)C[C@@H]1C ZINC000249216144 285106661 /nfs/dbraw/zinc/10/66/61/285106661.db2.gz FBBWMBDOYLUFBE-HOTGVXAUSA-N 2 2 299.459 0.750 10 0 CCAELP CCOCC[NH+]1CCN(CC[N@@H+]2CCO[C@@H](C)C2)C[C@@H]1C ZINC000249216144 285106664 /nfs/dbraw/zinc/10/66/64/285106664.db2.gz FBBWMBDOYLUFBE-HOTGVXAUSA-N 2 2 299.459 0.750 10 0 CCAELP COC(=O)C1=NOC2(C1)CC[NH+](CC[NH2+]C(C)C)CC2 ZINC000189932663 388977952 /nfs/dbraw/zinc/97/79/52/388977952.db2.gz FPMNLEJYJILNMZ-UHFFFAOYSA-N 2 2 283.372 0.768 10 0 CCAELP CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193633576 389075511 /nfs/dbraw/zinc/07/55/11/389075511.db2.gz KOCGJFLHARGLJR-SDDRHHMPSA-N 2 2 282.388 0.103 10 0 CCAELP CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193633576 389075515 /nfs/dbraw/zinc/07/55/15/389075515.db2.gz KOCGJFLHARGLJR-SDDRHHMPSA-N 2 2 282.388 0.103 10 0 CCAELP CC(C)NC(=O)NC(=O)[C@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193633576 389075517 /nfs/dbraw/zinc/07/55/17/389075517.db2.gz KOCGJFLHARGLJR-SDDRHHMPSA-N 2 2 282.388 0.103 10 0 CCAELP CC(C)NC(=O)NC(=O)[C@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193633576 389075520 /nfs/dbraw/zinc/07/55/20/389075520.db2.gz KOCGJFLHARGLJR-SDDRHHMPSA-N 2 2 282.388 0.103 10 0 CCAELP Cn1ncc2c1nc(N[C@H]1CCCC[C@H]1C[NH3+])[nH+]c2N ZINC000333570269 389427095 /nfs/dbraw/zinc/42/70/95/389427095.db2.gz RWCOYGWFSHMPBB-WPRPVWTQSA-N 2 2 275.360 0.297 10 0 CCAELP CC1(C)CN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC[C@H]1[NH3+] ZINC000335971485 389618613 /nfs/dbraw/zinc/61/86/13/389618613.db2.gz YGBINOICWZDRMJ-DTWKUNHWSA-N 2 2 261.316 0.569 10 0 CCAELP CN(C[C@@H]1CC[N@H+](C)C1)C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000375431960 389676254 /nfs/dbraw/zinc/67/62/54/389676254.db2.gz VGDJAFQNNXTQQZ-ZJUUUORDSA-N 2 2 261.316 0.394 10 0 CCAELP CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000375431960 389676257 /nfs/dbraw/zinc/67/62/57/389676257.db2.gz VGDJAFQNNXTQQZ-ZJUUUORDSA-N 2 2 261.316 0.394 10 0 CCAELP CO[C@@H]1C[NH2+][C@H](C(=O)NCc2cn3cccc(C)c3[nH+]2)C1 ZINC000583618242 390299026 /nfs/dbraw/zinc/29/90/26/390299026.db2.gz XMDASEOKBKDVPQ-STQMWFEESA-N 2 2 288.351 0.636 10 0 CCAELP CC[N@@H+]1CC[C@@H](NC(=O)NC[C@@H](C)[NH+]2CCOCC2)C1 ZINC000334022791 285374153 /nfs/dbraw/zinc/37/41/53/285374153.db2.gz DRTMZXJEJNEVJJ-CHWSQXEVSA-N 2 2 284.404 0.101 10 0 CCAELP CC[N@H+]1CC[C@@H](NC(=O)NC[C@@H](C)[NH+]2CCOCC2)C1 ZINC000334022791 285374154 /nfs/dbraw/zinc/37/41/54/285374154.db2.gz DRTMZXJEJNEVJJ-CHWSQXEVSA-N 2 2 284.404 0.101 10 0 CCAELP O=C(NCCCCn1cc[nH+]c1)[C@H]1C[NH2+]CCOC1 ZINC000649302980 390562631 /nfs/dbraw/zinc/56/26/31/390562631.db2.gz MAGLSYKNNURRNS-LBPRGKRZSA-N 2 2 266.345 0.016 10 0 CCAELP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccnn1C ZINC000192721552 533414642 /nfs/dbraw/zinc/41/46/42/533414642.db2.gz HQTUHHIPZRRBOP-CHWSQXEVSA-N 2 2 266.389 0.918 10 0 CCAELP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[N@H+](CCO)C2)C[C@H](C)O1 ZINC000384302400 397495588 /nfs/dbraw/zinc/49/55/88/397495588.db2.gz CGPJNFXFXSZCJI-XJFOESAGSA-N 2 2 256.390 0.989 10 0 CCAELP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[N@@H+](CCO)C2)C[C@H](C)O1 ZINC000384302400 397495591 /nfs/dbraw/zinc/49/55/91/397495591.db2.gz CGPJNFXFXSZCJI-XJFOESAGSA-N 2 2 256.390 0.989 10 0 CCAELP COc1ccc[nH+]c1N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000128348133 411716038 /nfs/dbraw/zinc/71/60/38/411716038.db2.gz FPOWXEMEHHFPQS-LLVKDONJSA-N 2 2 278.356 0.382 10 0 CCAELP O=C([C@H]1CC12CC[NH2+]CC2)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000070256638 411691207 /nfs/dbraw/zinc/69/12/07/411691207.db2.gz CWEIDJQIFKDZFY-ZIAGYGMSSA-N 2 2 293.411 0.309 10 0 CCAELP Nc1cc[nH+]cc1C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000212210350 411734950 /nfs/dbraw/zinc/73/49/50/411734950.db2.gz LRWZCDMJHPVMPU-LLVKDONJSA-N 2 2 276.340 0.211 10 0 CCAELP NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(C[NH3+])cc1F ZINC000020294513 171135166 /nfs/dbraw/zinc/13/51/66/171135166.db2.gz BXGXAILJKYOPFM-LBPRGKRZSA-N 2 2 251.305 0.734 10 0 CCAELP NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(C[NH3+])cc1F ZINC000020294513 171135167 /nfs/dbraw/zinc/13/51/67/171135167.db2.gz BXGXAILJKYOPFM-LBPRGKRZSA-N 2 2 251.305 0.734 10 0 CCAELP C[C@@H]1CC[C@@H](C(=O)NCCCn2cc[nH+]c2)C[NH2+]1 ZINC000020506417 171228776 /nfs/dbraw/zinc/22/87/76/171228776.db2.gz AKIVQQFOUNZMMT-VXGBXAGGSA-N 2 2 250.346 0.778 10 0 CCAELP C[N@H+](CC(=O)N1CC[NH2+]CC1)[C@H]1COc2cc(O)ccc21 ZINC000038030944 174023066 /nfs/dbraw/zinc/02/30/66/174023066.db2.gz BUVXLLJHVGQHGO-ZDUSSCGKSA-N 2 2 291.351 0.189 10 0 CCAELP C[N@@H+](CC(=O)N1CC[NH2+]CC1)[C@H]1COc2cc(O)ccc21 ZINC000038030944 174023067 /nfs/dbraw/zinc/02/30/67/174023067.db2.gz BUVXLLJHVGQHGO-ZDUSSCGKSA-N 2 2 291.351 0.189 10 0 CCAELP C[C@@H](c1ccco1)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038030914 174024067 /nfs/dbraw/zinc/02/40/67/174024067.db2.gz MEKFGAHPWCVPML-NSHDSACASA-N 2 2 251.330 0.704 10 0 CCAELP C[C@@H](c1ccco1)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038030914 174024068 /nfs/dbraw/zinc/02/40/68/174024068.db2.gz MEKFGAHPWCVPML-NSHDSACASA-N 2 2 251.330 0.704 10 0 CCAELP C[C@@H](CNC1CC[NH+](CC(=O)N(C)C)CC1)[NH+](C)C ZINC000038087547 174099590 /nfs/dbraw/zinc/09/95/90/174099590.db2.gz POWIZFCQZSHULQ-LBPRGKRZSA-N 2 2 270.421 0.079 10 0 CCAELP CC(C)[N@@H+]1CC[C@@H]([NH3+])C12C[C@H]1CC[C@@H](C2)S1(=O)=O ZINC000725266009 545886947 /nfs/dbraw/zinc/88/69/47/545886947.db2.gz KRENBKLKFVECAS-DAAZQVBGSA-N 2 2 272.414 0.906 10 0 CCAELP CC(C)[N@H+]1CC[C@@H]([NH3+])C12C[C@H]1CC[C@@H](C2)S1(=O)=O ZINC000725266009 545886951 /nfs/dbraw/zinc/88/69/51/545886951.db2.gz KRENBKLKFVECAS-DAAZQVBGSA-N 2 2 272.414 0.906 10 0 CCAELP C[C@@H](CNC(=O)N[C@@H]1CCC[NH2+][C@H]1C)[NH+]1CCOCC1 ZINC000333931657 545044472 /nfs/dbraw/zinc/04/44/72/545044472.db2.gz GFDUTHFOJVLMBW-RWMBFGLXSA-N 2 2 284.404 0.147 10 0 CCAELP C[N@@H+]1CCO[C@@H]2CN(c3[nH+]cnc4[nH]ccc43)C[C@H]21 ZINC000329926705 277125773 /nfs/dbraw/zinc/12/57/73/277125773.db2.gz WKBDMFLPSBEZIG-GHMZBOCLSA-N 2 2 259.313 0.477 10 0 CCAELP C[N@H+]1CCO[C@@H]2CN(c3[nH+]cnc4[nH]ccc43)C[C@H]21 ZINC000329926705 277125774 /nfs/dbraw/zinc/12/57/74/277125774.db2.gz WKBDMFLPSBEZIG-GHMZBOCLSA-N 2 2 259.313 0.477 10 0 CCAELP CC1(C)C[N@H+](CCNC(=O)[C@@]2(C)CCCC[NH2+]2)CCO1 ZINC000180996721 281239600 /nfs/dbraw/zinc/23/96/00/281239600.db2.gz ALRKIZIPTKKYCV-OAHLLOKOSA-N 2 2 283.416 0.746 10 0 CCAELP CC1(C)C[N@@H+](CCNC(=O)[C@@]2(C)CCCC[NH2+]2)CCO1 ZINC000180996721 281239603 /nfs/dbraw/zinc/23/96/03/281239603.db2.gz ALRKIZIPTKKYCV-OAHLLOKOSA-N 2 2 283.416 0.746 10 0 CCAELP CC(C)C[NH2+]C[C@@H]1CC[C@@H](C[NH+]2CCS(=O)CC2)O1 ZINC000052516482 519745226 /nfs/dbraw/zinc/74/52/26/519745226.db2.gz GXWMBNGOCVIMGF-KBPBESRZSA-N 2 2 288.457 0.844 10 0 CCAELP CC[NH2+][C@H](CCN(C)[C@@H]1CCC[N@H+](C)C1)C(=O)OC ZINC000062531801 520186719 /nfs/dbraw/zinc/18/67/19/520186719.db2.gz ZNTANQBLNHAMSZ-CHWSQXEVSA-N 2 2 271.405 0.554 10 0 CCAELP CC[NH2+][C@H](CCN(C)[C@@H]1CCC[N@@H+](C)C1)C(=O)OC ZINC000062531801 520186724 /nfs/dbraw/zinc/18/67/24/520186724.db2.gz ZNTANQBLNHAMSZ-CHWSQXEVSA-N 2 2 271.405 0.554 10 0 CCAELP CC(C)(C)N1CC[NH+](C[C@@H]2CC[C@H](C[NH3+])O2)CC1 ZINC000052571649 518710757 /nfs/dbraw/zinc/71/07/57/518710757.db2.gz CLBOVGJAZSRQGN-OLZOCXBDSA-N 2 2 255.406 0.909 10 0 CCAELP CC[NH2+]C(C)(C)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000061298391 519904498 /nfs/dbraw/zinc/90/44/98/519904498.db2.gz KYVHNGSKIZXVBI-UHFFFAOYSA-N 2 2 271.405 0.602 10 0 CCAELP NC(=O)[C@@H](CC[NH+]1Cc2ccccc2C1)[NH2+]C1CC1 ZINC000062531252 526953776 /nfs/dbraw/zinc/95/37/76/526953776.db2.gz XMJUNBQPEAGXPH-CQSZACIVSA-N 2 2 259.353 0.998 10 0 CCAELP C[C@H]1C[C@H]([NH2+]C2CC[NH+](CCO)CC2)CC[N@@H+]1C ZINC000398959562 581206484 /nfs/dbraw/zinc/20/64/84/581206484.db2.gz LJIPIARBAGSTOE-GXTWGEPZSA-N 3 2 255.406 0.515 10 0 CCAELP C[C@H]1C[C@H]([NH2+]C2CC[NH+](CCO)CC2)CC[N@H+]1C ZINC000398959562 581206488 /nfs/dbraw/zinc/20/64/88/581206488.db2.gz LJIPIARBAGSTOE-GXTWGEPZSA-N 3 2 255.406 0.515 10 0 CCAELP C[C@H]1C[C@H](NC2CC[NH+](CCO)CC2)CC[N@@H+]1C ZINC000398959562 581206491 /nfs/dbraw/zinc/20/64/91/581206491.db2.gz LJIPIARBAGSTOE-GXTWGEPZSA-N 2 2 255.406 0.515 10 0 CCAELP C[C@H]1C[C@H](NC2CC[NH+](CCO)CC2)CC[N@H+]1C ZINC000398959562 581206494 /nfs/dbraw/zinc/20/64/94/581206494.db2.gz LJIPIARBAGSTOE-GXTWGEPZSA-N 2 2 255.406 0.515 10 0 CCAELP CO[C@H]1C[C@@H](C[NH3+])N(c2cc(N(C)C)[nH+]cn2)C1 ZINC000756998977 581939363 /nfs/dbraw/zinc/93/93/63/581939363.db2.gz FSOCJQCMDXPYJJ-UWVGGRQHSA-N 2 2 251.334 0.095 10 0 CCAELP C[NH+]1CCN(C(=O)C[NH2+]CCc2ccccc2)CC1 ZINC000020050792 616223470 /nfs/dbraw/zinc/22/34/70/616223470.db2.gz LZGRZDHMZRKDPR-UHFFFAOYSA-N 2 2 261.369 0.593 10 0 CCAELP [NH3+]Cc1cccc(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)c1 ZINC000062975633 637190439 /nfs/dbraw/zinc/19/04/39/637190439.db2.gz NGWOULKINLDITK-HNNXBMFYSA-N 2 2 289.379 0.692 10 0 CCAELP Cc1[nH+]ccn1CCCC[N@@H+]1CCOC[C@@H]1C(N)=O ZINC000092229882 349486664 /nfs/dbraw/zinc/48/66/64/349486664.db2.gz IQIZMJLAEJWADM-GFCCVEGCSA-N 2 2 266.345 0.158 10 0 CCAELP Cc1[nH+]ccn1CCCC[N@H+]1CCOC[C@@H]1C(N)=O ZINC000092229882 349486665 /nfs/dbraw/zinc/48/66/65/349486665.db2.gz IQIZMJLAEJWADM-GFCCVEGCSA-N 2 2 266.345 0.158 10 0 CCAELP C[N@@H+]1CCO[C@@H](CNC(=O)NCCCC[NH+]2CCCC2)C1 ZINC000104789090 349718039 /nfs/dbraw/zinc/71/80/39/349718039.db2.gz NUOPERDQGYDJST-AWEZNQCLSA-N 2 2 298.431 0.492 10 0 CCAELP C[N@H+]1CCO[C@@H](CNC(=O)NCCCC[NH+]2CCCC2)C1 ZINC000104789090 349718042 /nfs/dbraw/zinc/71/80/42/349718042.db2.gz NUOPERDQGYDJST-AWEZNQCLSA-N 2 2 298.431 0.492 10 0 CCAELP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cnc(C(F)(F)F)s1 ZINC000263281646 137062761 /nfs/dbraw/zinc/06/27/61/137062761.db2.gz UIRRPKUDHGHUPK-POYBYMJQSA-N 2 2 281.303 0.832 10 0 CCAELP Cn1c(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)nc2cc(Cl)ccc21 ZINC000263319090 137063900 /nfs/dbraw/zinc/06/39/00/137063900.db2.gz ZXLJEDUPIYFMSV-ZANVPECISA-N 2 2 294.786 0.897 10 0 CCAELP C[C@H](CNC(=O)NCCCn1cc[nH+]c1)[NH+]1CCOCC1 ZINC000077827775 349123190 /nfs/dbraw/zinc/12/31/90/349123190.db2.gz RTXUXAVCUZWOOZ-CYBMUJFWSA-N 2 2 295.387 0.293 10 0 CCAELP CC[N@@H+]1CCO[C@@H](CNc2[nH+]cnc3c2cnn3C)C1 ZINC000134432166 350363984 /nfs/dbraw/zinc/36/39/84/350363984.db2.gz BKKRZUPZYWIPOA-JTQLQIEISA-N 2 2 276.344 0.496 10 0 CCAELP CC[N@H+]1CCO[C@@H](CNc2[nH+]cnc3c2cnn3C)C1 ZINC000134432166 350363985 /nfs/dbraw/zinc/36/39/85/350363985.db2.gz BKKRZUPZYWIPOA-JTQLQIEISA-N 2 2 276.344 0.496 10 0 CCAELP CCn1cc(C[N@@H+]2CCCN(C(=O)C[NH+](C)C)CC2)cn1 ZINC000171599257 350919257 /nfs/dbraw/zinc/91/92/57/350919257.db2.gz HJNKXRSUFXHBBC-UHFFFAOYSA-N 2 2 293.415 0.499 10 0 CCAELP CCn1cc(C[N@H+]2CCCN(C(=O)C[NH+](C)C)CC2)cn1 ZINC000171599257 350919258 /nfs/dbraw/zinc/91/92/58/350919258.db2.gz HJNKXRSUFXHBBC-UHFFFAOYSA-N 2 2 293.415 0.499 10 0 CCAELP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc3[nH+]ccn3c2)CCO1 ZINC000172306594 350975471 /nfs/dbraw/zinc/97/54/71/350975471.db2.gz AJQGGSHCXKXTFD-CYBMUJFWSA-N 2 2 288.351 0.737 10 0 CCAELP COCCC[N@H+](C)CCNC(=O)[C@H]1CCCn2cc[nH+]c21 ZINC000176442923 351174652 /nfs/dbraw/zinc/17/46/52/351174652.db2.gz YDHHNXMZGZPAJG-ZDUSSCGKSA-N 2 2 294.399 0.845 10 0 CCAELP COCCC[N@@H+](C)CCNC(=O)[C@H]1CCCn2cc[nH+]c21 ZINC000176442923 351174654 /nfs/dbraw/zinc/17/46/54/351174654.db2.gz YDHHNXMZGZPAJG-ZDUSSCGKSA-N 2 2 294.399 0.845 10 0 CCAELP COC(C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1)OC ZINC000189010533 351645713 /nfs/dbraw/zinc/64/57/13/351645713.db2.gz WMQKKXJNIRDCNB-UHFFFAOYSA-N 2 2 296.415 0.898 10 0 CCAELP COC(C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1)OC ZINC000189010533 351645715 /nfs/dbraw/zinc/64/57/15/351645715.db2.gz WMQKKXJNIRDCNB-UHFFFAOYSA-N 2 2 296.415 0.898 10 0 CCAELP C[N@H+]1C[C@@H]2C[NH+](C[C@H](O)CC(F)(F)F)C[C@@H]2C1 ZINC000193615748 351835892 /nfs/dbraw/zinc/83/58/92/351835892.db2.gz UTTWYDVEYWWUEY-KXUCPTDWSA-N 2 2 252.280 0.793 10 0 CCAELP C[N@@H+]1C[C@@H]2C[NH+](C[C@H](O)CC(F)(F)F)C[C@@H]2C1 ZINC000193615748 351835895 /nfs/dbraw/zinc/83/58/95/351835895.db2.gz UTTWYDVEYWWUEY-KXUCPTDWSA-N 2 2 252.280 0.793 10 0 CCAELP C[NH+]1C[C@@H]2C[N@@H+](C[C@H](O)CC(F)(F)F)C[C@@H]2C1 ZINC000193615748 351835897 /nfs/dbraw/zinc/83/58/97/351835897.db2.gz UTTWYDVEYWWUEY-KXUCPTDWSA-N 2 2 252.280 0.793 10 0 CCAELP C[NH+]1C[C@@H]2C[N@H+](C[C@H](O)CC(F)(F)F)C[C@@H]2C1 ZINC000193615748 351835900 /nfs/dbraw/zinc/83/59/00/351835900.db2.gz UTTWYDVEYWWUEY-KXUCPTDWSA-N 2 2 252.280 0.793 10 0 CCAELP C[N@H+]1C[C@@H]2C[NH+](CCCNC(=O)C(F)(F)F)C[C@@H]2C1 ZINC000193615340 351835946 /nfs/dbraw/zinc/83/59/46/351835946.db2.gz PFZGGRPYNVYCAZ-AOOOYVTPSA-N 2 2 279.306 0.548 10 0 CCAELP C[N@@H+]1C[C@@H]2C[NH+](CCCNC(=O)C(F)(F)F)C[C@@H]2C1 ZINC000193615340 351835949 /nfs/dbraw/zinc/83/59/49/351835949.db2.gz PFZGGRPYNVYCAZ-AOOOYVTPSA-N 2 2 279.306 0.548 10 0 CCAELP C[NH+]1C[C@@H]2C[N@@H+](CCCNC(=O)C(F)(F)F)C[C@@H]2C1 ZINC000193615340 351835952 /nfs/dbraw/zinc/83/59/52/351835952.db2.gz PFZGGRPYNVYCAZ-AOOOYVTPSA-N 2 2 279.306 0.548 10 0 CCAELP C[NH+]1C[C@@H]2C[N@H+](CCCNC(=O)C(F)(F)F)C[C@@H]2C1 ZINC000193615340 351835953 /nfs/dbraw/zinc/83/59/53/351835953.db2.gz PFZGGRPYNVYCAZ-AOOOYVTPSA-N 2 2 279.306 0.548 10 0 CCAELP CC1CCN(C(=O)C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)CC1 ZINC000193657796 351839211 /nfs/dbraw/zinc/83/92/11/351839211.db2.gz SIFWUHVMZBCCOZ-OKILXGFUSA-N 2 2 265.401 0.738 10 0 CCAELP CC1CCN(C(=O)C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)CC1 ZINC000193657796 351839215 /nfs/dbraw/zinc/83/92/15/351839215.db2.gz SIFWUHVMZBCCOZ-OKILXGFUSA-N 2 2 265.401 0.738 10 0 CCAELP CC1CCN(C(=O)C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)CC1 ZINC000193657796 351839217 /nfs/dbraw/zinc/83/92/17/351839217.db2.gz SIFWUHVMZBCCOZ-OKILXGFUSA-N 2 2 265.401 0.738 10 0 CCAELP CC1CCN(C(=O)C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)CC1 ZINC000193657796 351839220 /nfs/dbraw/zinc/83/92/20/351839220.db2.gz SIFWUHVMZBCCOZ-OKILXGFUSA-N 2 2 265.401 0.738 10 0 CCAELP C[C@@H]1C[C@H](C)CN(C(=O)C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C1 ZINC000193657847 351839368 /nfs/dbraw/zinc/83/93/68/351839368.db2.gz LPBQYRYPWKQRPF-NMWPEEMBSA-N 2 2 279.428 0.984 10 0 CCAELP C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C1 ZINC000193657847 351839372 /nfs/dbraw/zinc/83/93/72/351839372.db2.gz LPBQYRYPWKQRPF-NMWPEEMBSA-N 2 2 279.428 0.984 10 0 CCAELP C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)C1 ZINC000193657847 351839375 /nfs/dbraw/zinc/83/93/75/351839375.db2.gz LPBQYRYPWKQRPF-NMWPEEMBSA-N 2 2 279.428 0.984 10 0 CCAELP C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)C1 ZINC000193657847 351839378 /nfs/dbraw/zinc/83/93/78/351839378.db2.gz LPBQYRYPWKQRPF-NMWPEEMBSA-N 2 2 279.428 0.984 10 0 CCAELP Cc1ccc([C@H]([NH3+])C(=O)NC[C@H]2C[N@H+](C)CCO2)cc1 ZINC000230801539 352120225 /nfs/dbraw/zinc/12/02/25/352120225.db2.gz CCFDDGKPNVWHAV-KBPBESRZSA-N 2 2 277.368 0.442 10 0 CCAELP Cc1ccc([C@H]([NH3+])C(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000230801539 352120226 /nfs/dbraw/zinc/12/02/26/352120226.db2.gz CCFDDGKPNVWHAV-KBPBESRZSA-N 2 2 277.368 0.442 10 0 CCAELP Cc1cc(N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)nc(C)[nH+]1 ZINC000266447852 352702831 /nfs/dbraw/zinc/70/28/31/352702831.db2.gz WYAJGEPVOFCAPM-VXGBXAGGSA-N 2 2 264.373 0.985 10 0 CCAELP Cc1cc(N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)nc(C)[nH+]1 ZINC000266447852 352702835 /nfs/dbraw/zinc/70/28/35/352702835.db2.gz WYAJGEPVOFCAPM-VXGBXAGGSA-N 2 2 264.373 0.985 10 0 CCAELP C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333788401 354793895 /nfs/dbraw/zinc/79/38/95/354793895.db2.gz MBYGNODHIPCENN-QWHCGFSZSA-N 2 2 284.404 0.148 10 0 CCAELP [NH3+]CC[N@@H+]1CCOCC[C@H]1c1ccc(CCO)cc1 ZINC000616598102 365379667 /nfs/dbraw/zinc/37/96/67/365379667.db2.gz OFRAOALRXHGRSR-HNNXBMFYSA-N 2 2 264.369 0.944 10 0 CCAELP [NH3+]CC[N@H+]1CCOCC[C@H]1c1ccc(CCO)cc1 ZINC000616598102 365379670 /nfs/dbraw/zinc/37/96/70/365379670.db2.gz OFRAOALRXHGRSR-HNNXBMFYSA-N 2 2 264.369 0.944 10 0 CCAELP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634765718 372213128 /nfs/dbraw/zinc/21/31/28/372213128.db2.gz AWSBVHWXUHHORE-DYEKYZERSA-N 2 2 262.357 0.778 10 0 CCAELP O=C([C@H]1COCC[NH2+]1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000088371105 284577204 /nfs/dbraw/zinc/57/72/04/284577204.db2.gz PHZZWUXQSTYNKZ-CHWSQXEVSA-N 2 2 267.373 0.062 10 0 CCAELP C(C[NH+]1CCCC1)C[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000185205994 388794190 /nfs/dbraw/zinc/79/41/90/388794190.db2.gz ZPSZOKFLCVEOJM-CQSZACIVSA-N 2 2 254.374 0.964 10 0 CCAELP C(C[NH+]1CCCC1)C[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000185205994 388794196 /nfs/dbraw/zinc/79/41/96/388794196.db2.gz ZPSZOKFLCVEOJM-CQSZACIVSA-N 2 2 254.374 0.964 10 0 CCAELP O=C(NCCn1cc[nH+]c1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000193207041 389063142 /nfs/dbraw/zinc/06/31/42/389063142.db2.gz RZQZHUMCFWBNLA-ZDUSSCGKSA-N 2 2 295.387 0.029 10 0 CCAELP [NH3+][C@@H]1CCC[C@H](C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000220390297 389139509 /nfs/dbraw/zinc/13/95/09/389139509.db2.gz KDNKILZZDYTIKA-BFHYXJOUSA-N 2 2 281.400 0.437 10 0 CCAELP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1cnn(C)c1 ZINC000151290547 389276705 /nfs/dbraw/zinc/27/67/05/389276705.db2.gz PSOATKIHGQBJTJ-GXTWGEPZSA-N 2 2 266.389 0.918 10 0 CCAELP CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1)[NH+](C)C ZINC000164416151 389434332 /nfs/dbraw/zinc/43/43/32/389434332.db2.gz QQIGDTZBSIYAGU-MGPQQGTHSA-N 2 2 283.416 0.506 10 0 CCAELP COCC[N@H+](C)C[C@H](O)C[NH+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000380561015 389764010 /nfs/dbraw/zinc/76/40/10/389764010.db2.gz RKNBAULIMGYMHK-SOUVJXGZSA-N 2 2 286.416 0.569 10 0 CCAELP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000380561015 389764012 /nfs/dbraw/zinc/76/40/12/389764012.db2.gz RKNBAULIMGYMHK-SOUVJXGZSA-N 2 2 286.416 0.569 10 0 CCAELP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000380561015 389764015 /nfs/dbraw/zinc/76/40/15/389764015.db2.gz RKNBAULIMGYMHK-SOUVJXGZSA-N 2 2 286.416 0.569 10 0 CCAELP COCC[NH+](C)C[C@H](O)C[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000380561015 389764017 /nfs/dbraw/zinc/76/40/17/389764017.db2.gz RKNBAULIMGYMHK-SOUVJXGZSA-N 2 2 286.416 0.569 10 0 CCAELP CCCCn1nnnc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000389022377 389771018 /nfs/dbraw/zinc/77/10/18/389771018.db2.gz ZRUKXQYWSGMPSL-QJPTWQEYSA-N 2 2 264.377 0.642 10 0 CCAELP CCCCn1nnnc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000389022377 389771020 /nfs/dbraw/zinc/77/10/20/389771020.db2.gz ZRUKXQYWSGMPSL-QJPTWQEYSA-N 2 2 264.377 0.642 10 0 CCAELP C[C@@H](C[NH2+]C[C@@H](O)C(C)(C)C)C[NH+]1CCOCC1 ZINC000644571872 390256482 /nfs/dbraw/zinc/25/64/82/390256482.db2.gz CGURAFXOCZBZBR-QWHCGFSZSA-N 2 2 258.406 0.951 10 0 CCAELP COC[C@]1(C(=O)N2CC[NH+](C3CC3)CC2)CCC[NH2+]1 ZINC000649286897 390551697 /nfs/dbraw/zinc/55/16/97/390551697.db2.gz LLKFFBXKZKBYPE-AWEZNQCLSA-N 2 2 267.373 0.062 10 0 CCAELP O=C(NCCC[NH+]1CCCCC1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000369467295 144270618 /nfs/dbraw/zinc/27/06/18/144270618.db2.gz MRDZDWXTWFYDDY-NSHDSACASA-N 2 2 275.343 0.976 10 0 CCAELP CC[C@@H]1C[C@@H]([NH2+][C@H]2CCC[N@H+](CCO)C2)CCO1 ZINC000384427473 397495493 /nfs/dbraw/zinc/49/54/93/397495493.db2.gz DMUYLNGXYWGFLG-MELADBBJSA-N 2 2 256.390 0.990 10 0 CCAELP CC[C@@H]1C[C@@H]([NH2+][C@H]2CCC[N@@H+](CCO)C2)CCO1 ZINC000384427473 397495497 /nfs/dbraw/zinc/49/54/97/397495497.db2.gz DMUYLNGXYWGFLG-MELADBBJSA-N 2 2 256.390 0.990 10 0 CCAELP CC[C@@H](C(=O)NC[C@H](C)[NH+]1CCOCC1)[NH+](C)C ZINC000124752095 286740673 /nfs/dbraw/zinc/74/06/73/286740673.db2.gz JLMMGOBFQPNCJV-RYUDHWBXSA-N 2 2 257.378 0.164 10 0 CCAELP CC[N@H+](C)C[C@H](O)C[NH+]1CCO[C@@H]2CCCC[C@H]21 ZINC000311147092 411749885 /nfs/dbraw/zinc/74/98/85/411749885.db2.gz MIMLQLQDGJTKCM-BFHYXJOUSA-N 2 2 256.390 0.942 10 0 CCAELP CC[N@@H+](C)C[C@H](O)C[NH+]1CCO[C@@H]2CCCC[C@H]21 ZINC000311147092 411749889 /nfs/dbraw/zinc/74/98/89/411749889.db2.gz MIMLQLQDGJTKCM-BFHYXJOUSA-N 2 2 256.390 0.942 10 0 CCAELP CC[NH+](C)C[C@H](O)C[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000311147092 411749890 /nfs/dbraw/zinc/74/98/90/411749890.db2.gz MIMLQLQDGJTKCM-BFHYXJOUSA-N 2 2 256.390 0.942 10 0 CCAELP CC[NH+](C)C[C@H](O)C[N@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000311147092 411749893 /nfs/dbraw/zinc/74/98/93/411749893.db2.gz MIMLQLQDGJTKCM-BFHYXJOUSA-N 2 2 256.390 0.942 10 0 CCAELP CC[NH+]1CCN([C@]2(C[NH3+])C[NH+]3CCC2CC3)CC1 ZINC000020442257 171205341 /nfs/dbraw/zinc/20/53/41/171205341.db2.gz QYVAMLKOHSZNNO-CQSZACIVSA-N 3 2 252.406 0.047 10 0 CCAELP CC[N@H+](CC(=O)N[C@@H](C)COC)C1CC[NH2+]CC1 ZINC000037538599 173259271 /nfs/dbraw/zinc/25/92/71/173259271.db2.gz ZTDYEKXJVCTVIW-NSHDSACASA-N 2 2 257.378 0.211 10 0 CCAELP CC[N@@H+](CC(=O)N[C@@H](C)COC)C1CC[NH2+]CC1 ZINC000037538599 173259273 /nfs/dbraw/zinc/25/92/73/173259273.db2.gz ZTDYEKXJVCTVIW-NSHDSACASA-N 2 2 257.378 0.211 10 0 CCAELP CC(C)[NH2+]CCCC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000037633979 173582347 /nfs/dbraw/zinc/58/23/47/173582347.db2.gz KALLIGWKNXNPQA-ZDUSSCGKSA-N 2 2 271.405 0.602 10 0 CCAELP C[C@@H](CNC(=O)[C@H]1CSC[NH2+]1)[NH+]1CCCCC1 ZINC000038029412 174020218 /nfs/dbraw/zinc/02/02/18/174020218.db2.gz QQYFNLWASYBBEK-WDEREUQCSA-N 2 2 257.403 0.640 10 0 CCAELP CCN(CCC[NH2+]CC[NH+](CC)CC)S(C)(=O)=O ZINC000038035821 174034159 /nfs/dbraw/zinc/03/41/59/174034159.db2.gz MJXOMVGOVXRPSI-UHFFFAOYSA-N 2 2 279.450 0.589 10 0 CCAELP Cn1c2ccc(C[NH2+]CCc3c[nH]c[nH+]3)cc2n(C)c1=O ZINC000045946305 175388127 /nfs/dbraw/zinc/38/81/27/175388127.db2.gz ALTHLRNVXMHGAK-UHFFFAOYSA-N 2 2 285.351 0.932 10 0 CCAELP Cn1c2ccc(C[NH2+]CCc3c[nH+]c[nH]3)cc2n(C)c1=O ZINC000045946305 175388128 /nfs/dbraw/zinc/38/81/28/175388128.db2.gz ALTHLRNVXMHGAK-UHFFFAOYSA-N 2 2 285.351 0.932 10 0 CCAELP C[C@H](Cn1cc[nH+]c1)NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054291586 544443321 /nfs/dbraw/zinc/44/33/21/544443321.db2.gz WDOYTJNHNABSMP-NEPJUHHUSA-N 2 2 250.346 0.778 10 0 CCAELP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N(C)Cc1[nH+]ccn1C ZINC000094648317 544545456 /nfs/dbraw/zinc/54/54/56/544545456.db2.gz FAVZQFHRMPWCQI-WDEREUQCSA-N 2 2 250.346 0.767 10 0 CCAELP Cc1ccc2[nH]c(N3CC[NH+](CCO)CC3)[nH+]c2c1 ZINC000096638756 544551113 /nfs/dbraw/zinc/55/11/13/544551113.db2.gz TYFSNCSLHICKLL-UHFFFAOYSA-N 2 2 260.341 0.986 10 0 CCAELP CC[N@@H+]1CCO[C@H](CNc2nc[nH+]c(N)c2OC)C1 ZINC000166345450 544722792 /nfs/dbraw/zinc/72/27/92/544722792.db2.gz DODAVVQPAYKUOI-SECBINFHSA-N 2 2 267.333 0.200 10 0 CCAELP CC[N@H+]1CCO[C@H](CNc2nc[nH+]c(N)c2OC)C1 ZINC000166345450 544722799 /nfs/dbraw/zinc/72/27/99/544722799.db2.gz DODAVVQPAYKUOI-SECBINFHSA-N 2 2 267.333 0.200 10 0 CCAELP COc1c(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c(C)nn1C ZINC000162957159 544714737 /nfs/dbraw/zinc/71/47/37/544714737.db2.gz ITYHBVJOBOLGLA-GHMZBOCLSA-N 2 2 250.346 0.388 10 0 CCAELP COc1ccc(OC)c(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)c1 ZINC000262119068 544941133 /nfs/dbraw/zinc/94/11/33/544941133.db2.gz LSWKMMHLPQXKHP-YPMHNXCESA-N 2 2 266.341 0.374 10 0 CCAELP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000173980456 279088818 /nfs/dbraw/zinc/08/88/18/279088818.db2.gz AVZSUTOIMDXADC-KGLIPLIRSA-N 2 2 283.416 0.507 10 0 CCAELP CC(C)N(C)C(=O)[C@H](C)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193616396 279345053 /nfs/dbraw/zinc/34/50/53/279345053.db2.gz PCBISVOWTDWRCZ-RWMBFGLXSA-N 2 2 253.390 0.735 10 0 CCAELP CC(C)N(C)C(=O)[C@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193616396 279345054 /nfs/dbraw/zinc/34/50/54/279345054.db2.gz PCBISVOWTDWRCZ-RWMBFGLXSA-N 2 2 253.390 0.735 10 0 CCAELP CC(C)N(C)C(=O)[C@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193616396 279345058 /nfs/dbraw/zinc/34/50/58/279345058.db2.gz PCBISVOWTDWRCZ-RWMBFGLXSA-N 2 2 253.390 0.735 10 0 CCAELP CC(C)N(C)C(=O)[C@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193616396 279345060 /nfs/dbraw/zinc/34/50/60/279345060.db2.gz PCBISVOWTDWRCZ-RWMBFGLXSA-N 2 2 253.390 0.735 10 0 CCAELP CO[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[N@H+](CCO)C2)C1 ZINC000384554616 545085250 /nfs/dbraw/zinc/08/52/50/545085250.db2.gz IWBFWHRCJCQYEZ-MELADBBJSA-N 2 2 256.390 0.990 10 0 CCAELP CO[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[N@@H+](CCO)C2)C1 ZINC000384554616 545085251 /nfs/dbraw/zinc/08/52/51/545085251.db2.gz IWBFWHRCJCQYEZ-MELADBBJSA-N 2 2 256.390 0.990 10 0 CCAELP O=C(N[C@@H]1CCCC[NH2+]C1)N1CCn2c[nH+]cc2C1 ZINC000333716690 303837349 /nfs/dbraw/zinc/83/73/49/303837349.db2.gz TYGCRSKCOMUQHH-LLVKDONJSA-N 2 2 263.345 0.550 10 0 CCAELP CC(C)[NH2+]Cc1nccn1CC[NH+]1CCOCC1 ZINC000051005566 519729019 /nfs/dbraw/zinc/72/90/19/519729019.db2.gz IWDUMPDNCLUINX-UHFFFAOYSA-N 2 2 252.362 0.713 10 0 CCAELP CC(C)C[NH2+]C[C@H]1CC[C@H](C[NH+]2CCS(=O)CC2)O1 ZINC000052516480 519746353 /nfs/dbraw/zinc/74/63/53/519746353.db2.gz GXWMBNGOCVIMGF-ZIAGYGMSSA-N 2 2 288.457 0.844 10 0 CCAELP CCC[NH2+][C@@H](CC[N@@H+]1C[C@H](C)OC(C)(C)C1)C(N)=O ZINC000062527767 520002283 /nfs/dbraw/zinc/00/22/83/520002283.db2.gz TUBWSHKPDCSEQH-RYUDHWBXSA-N 2 2 271.405 0.729 10 0 CCAELP CCC[NH2+][C@@H](CC[N@H+]1C[C@H](C)OC(C)(C)C1)C(N)=O ZINC000062527767 520002296 /nfs/dbraw/zinc/00/22/96/520002296.db2.gz TUBWSHKPDCSEQH-RYUDHWBXSA-N 2 2 271.405 0.729 10 0 CCAELP CC(C)CCNC(=O)CN1CC[NH+](CCC[NH3+])CC1 ZINC000049283835 519656054 /nfs/dbraw/zinc/65/60/54/519656054.db2.gz WGJCZRDHWKQLCO-UHFFFAOYSA-N 2 2 270.421 0.115 10 0 CCAELP CC(C)C[NH+]1CCN(CC[N@@H+]2CCC[NH2+]CC2)CC1 ZINC000061275916 519726112 /nfs/dbraw/zinc/72/61/12/519726112.db2.gz DBSKRMXIUAZOCN-UHFFFAOYSA-N 3 2 268.449 0.555 10 0 CCAELP CC(C)C[NH+]1CCN(CC[N@H+]2CCC[NH2+]CC2)CC1 ZINC000061275916 519726114 /nfs/dbraw/zinc/72/61/14/519726114.db2.gz DBSKRMXIUAZOCN-UHFFFAOYSA-N 3 2 268.449 0.555 10 0 CCAELP CC[NH2+][C@@H](CN1CCC[C@@H]1C[NH+](C)C)C(=O)OC ZINC000061652919 520097633 /nfs/dbraw/zinc/09/76/33/520097633.db2.gz DURALUHCIBLXKL-NEPJUHHUSA-N 2 2 257.378 0.164 10 0 CCAELP C[NH+](C)CCN1CC[NH+](CCC[NH2+]C2CC2)CC1 ZINC000061652166 521764557 /nfs/dbraw/zinc/76/45/57/521764557.db2.gz RBBNGNZPAGTEJY-UHFFFAOYSA-N 3 2 254.422 0.308 10 0 CCAELP CC[C@@H]([NH3+])Cc1[nH+]ccn1CCS(=O)(=O)CC ZINC000062803160 522647115 /nfs/dbraw/zinc/64/71/15/522647115.db2.gz LEHROUSSNFPHFS-SNVBAGLBSA-N 2 2 259.375 0.598 10 0 CCAELP C[C@@H](Cn1cc[nH+]c1)[NH2+]CC(=O)NCC(F)(F)F ZINC000049309936 524960603 /nfs/dbraw/zinc/96/06/03/524960603.db2.gz QBPMHNGNRSVBEA-QMMMGPOBSA-N 2 2 264.251 0.540 10 0 CCAELP NC(=O)C1CCC([NH2+]CCCn2cc[nH+]c2)CC1 ZINC000049328053 526855275 /nfs/dbraw/zinc/85/52/75/526855275.db2.gz ZSDANFYNOBQFJU-UHFFFAOYSA-N 2 2 250.346 0.907 10 0 CCAELP Cn1ncc(Br)c1CC1=C[C@H]([NH3+])C[NH2+]C1 ZINC000675079374 545321357 /nfs/dbraw/zinc/32/13/57/545321357.db2.gz YDUBMSLRLOXDQC-QMMMGPOBSA-N 2 2 271.162 0.582 10 0 CCAELP C[N@H+](CCO)[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)[NH2+]C1 ZINC000757134613 581940387 /nfs/dbraw/zinc/94/03/87/581940387.db2.gz OAZABYVOFLMQIM-VXGBXAGGSA-N 2 2 287.404 0.556 10 0 CCAELP C[N@@H+](CCO)[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)[NH2+]C1 ZINC000757134613 581940389 /nfs/dbraw/zinc/94/03/89/581940389.db2.gz OAZABYVOFLMQIM-VXGBXAGGSA-N 2 2 287.404 0.556 10 0 CCAELP C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000865190607 616196932 /nfs/dbraw/zinc/19/69/32/616196932.db2.gz BPNMQYQNMIQAAV-JHJVBQTASA-N 2 2 278.356 0.528 10 0 CCAELP C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000865190607 616196933 /nfs/dbraw/zinc/19/69/33/616196933.db2.gz BPNMQYQNMIQAAV-JHJVBQTASA-N 2 2 278.356 0.528 10 0 CCAELP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000252442053 137003282 /nfs/dbraw/zinc/00/32/82/137003282.db2.gz GDEQSKZIJFGREU-KGLIPLIRSA-N 2 2 296.415 0.197 10 0 CCAELP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000252442053 137003283 /nfs/dbraw/zinc/00/32/83/137003283.db2.gz GDEQSKZIJFGREU-KGLIPLIRSA-N 2 2 296.415 0.197 10 0 CCAELP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)CC1 ZINC000261833439 137022077 /nfs/dbraw/zinc/02/20/77/137022077.db2.gz YYWBMXPAXYCQMQ-AWEZNQCLSA-N 3 2 296.459 0.646 10 0 CCAELP Cc1[nH+]c2ccccc2n1CC(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262293258 137035825 /nfs/dbraw/zinc/03/58/25/137035825.db2.gz OWRBNWSDQFBWHJ-FZMZJTMJSA-N 2 2 288.351 0.041 10 0 CCAELP Cn1c(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)nc2ccc(Cl)cc21 ZINC000263308164 137063652 /nfs/dbraw/zinc/06/36/52/137063652.db2.gz YEVLCIHUGAZSOD-TVQRCGJNSA-N 2 2 294.786 0.897 10 0 CCAELP CC(C)C[C@H](C[NH+](C)C)[NH2+]C[C@@H](O)CN1CCOCC1 ZINC000049555618 348456506 /nfs/dbraw/zinc/45/65/06/348456506.db2.gz QSMIRNMOXGGLAL-HUUCEWRRSA-N 2 2 287.448 0.245 10 0 CCAELP C[C@H](C[NH+]1CCOCC1)NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054291611 348548143 /nfs/dbraw/zinc/54/81/43/348548143.db2.gz PMKJBQZQRWPZAN-CHWSQXEVSA-N 2 2 269.389 0.213 10 0 CCAELP O=C(C[C@H]1CCC[NH2+]C1)NCCCn1cc[nH+]c1 ZINC000054290649 348548196 /nfs/dbraw/zinc/54/81/96/348548196.db2.gz MIXLYUPRJSSKHG-GFCCVEGCSA-N 2 2 250.346 0.779 10 0 CCAELP c1cnc(-c2n[nH]c(C3CC[NH+]([C@H]4CC[NH2+]C4)CC3)n2)cn1 ZINC000065287283 348709788 /nfs/dbraw/zinc/70/97/88/348709788.db2.gz GGJQOWLYUWRELR-LBPRGKRZSA-N 2 2 299.382 0.803 10 0 CCAELP COc1ccccc1N1CC[NH+](CCNC(N)=[NH2+])CC1 ZINC000071628307 348910443 /nfs/dbraw/zinc/91/04/43/348910443.db2.gz BUUIFCYISQUBLH-UHFFFAOYSA-N 2 2 277.372 0.300 10 0 CCAELP CC[NH+](CC)CCNC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000124941054 350111748 /nfs/dbraw/zinc/11/17/48/350111748.db2.gz NDIUEAWEMQPGGY-CYBMUJFWSA-N 2 2 286.420 0.348 10 0 CCAELP CNC(=O)NC(=O)C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105875597 186082310 /nfs/dbraw/zinc/08/23/10/186082310.db2.gz OAYUIMMPKCMMAR-UHFFFAOYSA-N 2 2 293.371 0.130 10 0 CCAELP O=C(N[C@H]1C[C@H]2C[NH2+][C@@H]1C2)c1ccn2cc[nH+]c2c1 ZINC000168222210 350822630 /nfs/dbraw/zinc/82/26/30/350822630.db2.gz LOUVKSSSAHKDBR-WCQGTBRESA-N 2 2 256.309 0.815 10 0 CCAELP C[C@@H](CNC(=O)[C@H]1COCC[NH2+]1)[NH+]1CCC(C)CC1 ZINC000166332538 350797895 /nfs/dbraw/zinc/79/78/95/350797895.db2.gz WNTPOXINZRODHW-QWHCGFSZSA-N 2 2 269.389 0.211 10 0 CCAELP CC[NH+](CC)CC(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000173980447 351065604 /nfs/dbraw/zinc/06/56/04/351065604.db2.gz AVZSUTOIMDXADC-KBPBESRZSA-N 2 2 283.416 0.507 10 0 CCAELP COCCOCC[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000175660631 351138466 /nfs/dbraw/zinc/13/84/66/351138466.db2.gz RYFLPRVBPUQXLD-CQSZACIVSA-N 2 2 286.416 0.835 10 0 CCAELP COCCOCC[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000175660631 351138470 /nfs/dbraw/zinc/13/84/70/351138470.db2.gz RYFLPRVBPUQXLD-CQSZACIVSA-N 2 2 286.416 0.835 10 0 CCAELP CC[C@H]1CN(CC[N@@H+]2CCO[C@H](C)C2)CC[NH+]1CCOC ZINC000191484398 351760211 /nfs/dbraw/zinc/76/02/11/351760211.db2.gz DMSQWVACSPGUCC-CVEARBPZSA-N 2 2 299.459 0.750 10 0 CCAELP CC[C@H]1CN(CC[N@H+]2CCO[C@H](C)C2)CC[NH+]1CCOC ZINC000191484398 351760212 /nfs/dbraw/zinc/76/02/12/351760212.db2.gz DMSQWVACSPGUCC-CVEARBPZSA-N 2 2 299.459 0.750 10 0 CCAELP CC[C@H]1CN(CC[NH+]2CCO[C@H](C)C2)CC[N@@H+]1CCOC ZINC000191484398 351760213 /nfs/dbraw/zinc/76/02/13/351760213.db2.gz DMSQWVACSPGUCC-CVEARBPZSA-N 2 2 299.459 0.750 10 0 CCAELP CC[C@H]1CN(CC[NH+]2CCO[C@H](C)C2)CC[N@H+]1CCOC ZINC000191484398 351760214 /nfs/dbraw/zinc/76/02/14/351760214.db2.gz DMSQWVACSPGUCC-CVEARBPZSA-N 2 2 299.459 0.750 10 0 CCAELP Cc1c(C[N@@H+]2CC[C@](O)(C[NH+](C)C)C2)cnn1C ZINC000215296472 351934874 /nfs/dbraw/zinc/93/48/74/351934874.db2.gz NKSONNAKMKANJZ-ZDUSSCGKSA-N 2 2 252.362 0.227 10 0 CCAELP Cc1c(C[N@H+]2CC[C@](O)(C[NH+](C)C)C2)cnn1C ZINC000215296472 351934877 /nfs/dbraw/zinc/93/48/77/351934877.db2.gz NKSONNAKMKANJZ-ZDUSSCGKSA-N 2 2 252.362 0.227 10 0 CCAELP C[N@@H+]1CCN(c2ncnc3ccsc32)[C@@H](C[NH3+])C1 ZINC000226622860 352031178 /nfs/dbraw/zinc/03/11/78/352031178.db2.gz YNPZSVFBXMKICG-VIFPVBQESA-N 2 2 263.370 0.770 10 0 CCAELP C[N@H+]1CCN(c2ncnc3ccsc32)[C@@H](C[NH3+])C1 ZINC000226622860 352031180 /nfs/dbraw/zinc/03/11/80/352031180.db2.gz YNPZSVFBXMKICG-VIFPVBQESA-N 2 2 263.370 0.770 10 0 CCAELP CC1CCC([NH+]2CCN(C(=O)[C@H]3COCC[NH2+]3)CC2)CC1 ZINC000236788955 352215187 /nfs/dbraw/zinc/21/51/87/352215187.db2.gz WPGXBBPZKRGJIZ-YMAMQOFZSA-N 2 2 295.427 0.698 10 0 CCAELP CCOCC[N@@H+]1CCN(CCn2cc[nH+]c2)C[C@H]1C ZINC000245622114 352330847 /nfs/dbraw/zinc/33/08/47/352330847.db2.gz OBELYOQSKKZRKP-CQSZACIVSA-N 2 2 266.389 0.926 10 0 CCAELP CCOCC[N@H+]1CCN(CCn2cc[nH+]c2)C[C@H]1C ZINC000245622114 352330849 /nfs/dbraw/zinc/33/08/49/352330849.db2.gz OBELYOQSKKZRKP-CQSZACIVSA-N 2 2 266.389 0.926 10 0 CCAELP CC[C@H]1CN(Cc2c[nH+]c[nH]2)CC[N@@H+]1C[C@H](C)O ZINC000245756954 352336969 /nfs/dbraw/zinc/33/69/69/352336969.db2.gz OVVIWZQYZGFSGX-AAEUAGOBSA-N 2 2 252.362 0.687 10 0 CCAELP CC[C@H]1CN(Cc2c[nH+]c[nH]2)CC[N@H+]1C[C@H](C)O ZINC000245756954 352336970 /nfs/dbraw/zinc/33/69/70/352336970.db2.gz OVVIWZQYZGFSGX-AAEUAGOBSA-N 2 2 252.362 0.687 10 0 CCAELP C[C@H](C[NH+]1CCOCC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000245988040 352343508 /nfs/dbraw/zinc/34/35/08/352343508.db2.gz HOIYBVQYTXVPEV-KGLIPLIRSA-N 2 2 253.390 0.487 10 0 CCAELP C[C@H](C[NH+]1CCOCC1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000245988040 352343511 /nfs/dbraw/zinc/34/35/11/352343511.db2.gz HOIYBVQYTXVPEV-KGLIPLIRSA-N 2 2 253.390 0.487 10 0 CCAELP C[C@H](O)C[N@@H+]1CCN(CC[NH+]2CCO[C@@H](C)C2)C[C@H]1C ZINC000249109748 352477778 /nfs/dbraw/zinc/47/77/78/352477778.db2.gz XTMPWVITDZRUFQ-ILXRZTDVSA-N 2 2 285.432 0.094 10 0 CCAELP C[C@H](O)C[N@H+]1CCN(CC[NH+]2CCO[C@@H](C)C2)C[C@H]1C ZINC000249109748 352477782 /nfs/dbraw/zinc/47/77/82/352477782.db2.gz XTMPWVITDZRUFQ-ILXRZTDVSA-N 2 2 285.432 0.094 10 0 CCAELP C[C@H](O)C[NH+]1CCN(CC[N@@H+]2CCO[C@@H](C)C2)C[C@H]1C ZINC000249109748 352477786 /nfs/dbraw/zinc/47/77/86/352477786.db2.gz XTMPWVITDZRUFQ-ILXRZTDVSA-N 2 2 285.432 0.094 10 0 CCAELP C[C@H](O)C[NH+]1CCN(CC[N@H+]2CCO[C@@H](C)C2)C[C@H]1C ZINC000249109748 352477789 /nfs/dbraw/zinc/47/77/89/352477789.db2.gz XTMPWVITDZRUFQ-ILXRZTDVSA-N 2 2 285.432 0.094 10 0 CCAELP C[N@@H+]1CCN(c2cncc(Br)c2)[C@@H](C[NH3+])C1 ZINC000300732368 354067583 /nfs/dbraw/zinc/06/75/83/354067583.db2.gz FBCPNHKIQHADBB-NSHDSACASA-N 2 2 285.189 0.923 10 0 CCAELP C[N@H+]1CCN(c2cncc(Br)c2)[C@@H](C[NH3+])C1 ZINC000300732368 354067585 /nfs/dbraw/zinc/06/75/85/354067585.db2.gz FBCPNHKIQHADBB-NSHDSACASA-N 2 2 285.189 0.923 10 0 CCAELP CN(C[C@H]1CCc2[nH+]ccn2C1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000328623151 354239726 /nfs/dbraw/zinc/23/97/26/354239726.db2.gz IYFVVQYTPPMZQJ-OLZOCXBDSA-N 2 2 292.383 0.235 10 0 CCAELP CN(C[C@H]1CCc2[nH+]ccn2C1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000328623151 354239727 /nfs/dbraw/zinc/23/97/27/354239727.db2.gz IYFVVQYTPPMZQJ-OLZOCXBDSA-N 2 2 292.383 0.235 10 0 CCAELP C[C@@H]1C[N@H+](Cc2cc(=O)n3ccsc3n2)C[C@@H]1C[NH3+] ZINC000631843549 370709729 /nfs/dbraw/zinc/70/97/29/370709729.db2.gz PEBZXXFSCOKKTP-ZJUUUORDSA-N 2 2 278.381 0.783 10 0 CCAELP C[C@@H]1C[N@@H+](Cc2cc(=O)n3ccsc3n2)C[C@@H]1C[NH3+] ZINC000631843549 370709731 /nfs/dbraw/zinc/70/97/31/370709731.db2.gz PEBZXXFSCOKKTP-ZJUUUORDSA-N 2 2 278.381 0.783 10 0 CCAELP [NH3+]CC[N@@H+]1CCOCC[C@@H]1c1cccc(CCO)c1 ZINC000616657061 365411244 /nfs/dbraw/zinc/41/12/44/365411244.db2.gz IFDRUNUTIAKQQV-OAHLLOKOSA-N 2 2 264.369 0.944 10 0 CCAELP [NH3+]CC[N@H+]1CCOCC[C@@H]1c1cccc(CCO)c1 ZINC000616657061 365411246 /nfs/dbraw/zinc/41/12/46/365411246.db2.gz IFDRUNUTIAKQQV-OAHLLOKOSA-N 2 2 264.369 0.944 10 0 CCAELP C[C@@H]1C[NH+]=C(N2CCN(C(=O)[C@H]3CCC[NH2+]3)CC2)S1 ZINC000237453128 189877011 /nfs/dbraw/zinc/87/70/11/189877011.db2.gz YPBXZCOXFBLOGT-GHMZBOCLSA-N 2 2 282.413 0.374 10 0 CCAELP CC(C)c1nc(N[C@H]2CCC[NH2+]C2)nc(N(C)C)[nH+]1 ZINC000333473542 205352872 /nfs/dbraw/zinc/35/28/72/205352872.db2.gz DQIBGARUHVZWLM-JTQLQIEISA-N 2 2 264.377 0.647 10 0 CCAELP CN1CCO[C@H](C[NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657349752 412964085 /nfs/dbraw/zinc/96/40/85/412964085.db2.gz LVJFTUADKRWXJP-GFCCVEGCSA-N 2 2 250.346 0.250 10 0 CCAELP C[C@H](O)C[N@@H+]1CCN(Cc2c[nH+]cn2C)C[C@H]1C ZINC000246614644 285027015 /nfs/dbraw/zinc/02/70/15/285027015.db2.gz YIRDBWBCHZQIFJ-NEPJUHHUSA-N 2 2 252.362 0.307 10 0 CCAELP C[C@H](O)C[N@H+]1CCN(Cc2c[nH+]cn2C)C[C@H]1C ZINC000246614644 285027016 /nfs/dbraw/zinc/02/70/16/285027016.db2.gz YIRDBWBCHZQIFJ-NEPJUHHUSA-N 2 2 252.362 0.307 10 0 CCAELP C[C@H]([C@H](C)NC(=O)N1CC[C@H]([NH+](C)C)C1)[NH+]1CCOCC1 ZINC000105302714 299604484 /nfs/dbraw/zinc/60/44/84/299604484.db2.gz MDOBVMIBUANKTR-MJBXVCDLSA-N 2 2 298.431 0.441 10 0 CCAELP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1cnccn1 ZINC000151288280 389276823 /nfs/dbraw/zinc/27/68/23/389276823.db2.gz JCKRQKFCVLQYJY-CHWSQXEVSA-N 2 2 264.373 0.974 10 0 CCAELP C[C@@H]1[NH2+]CCC[C@@H]1Nc1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000333528441 389417742 /nfs/dbraw/zinc/41/77/42/389417742.db2.gz LVTSMOOJVUQLDZ-AVGNSLFASA-N 2 2 291.399 0.990 10 0 CCAELP CCn1c(C)nnc1C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000161996582 389413475 /nfs/dbraw/zinc/41/34/75/389413475.db2.gz OIUMOABUTPYRFL-UHFFFAOYSA-N 2 2 294.447 0.676 10 0 CCAELP CCn1c(C)nnc1C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000161996582 389413480 /nfs/dbraw/zinc/41/34/80/389413480.db2.gz OIUMOABUTPYRFL-UHFFFAOYSA-N 2 2 294.447 0.676 10 0 CCAELP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3nnnn3CC2)C[N@@H+]1C1CC1 ZINC000333812573 389444952 /nfs/dbraw/zinc/44/49/52/389444952.db2.gz FWEDBWIJHNHITQ-UTUOFQBUSA-N 2 2 276.388 0.593 10 0 CCAELP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3nnnn3CC2)C[N@H+]1C1CC1 ZINC000333812573 389444954 /nfs/dbraw/zinc/44/49/54/389444954.db2.gz FWEDBWIJHNHITQ-UTUOFQBUSA-N 2 2 276.388 0.593 10 0 CCAELP CCC[C@H](C(=O)NCC[N@@H+]1CCOC(C)(C)C1)[NH+](C)C ZINC000179155555 389641981 /nfs/dbraw/zinc/64/19/81/389641981.db2.gz KYPMVFNLAOFOQZ-CYBMUJFWSA-N 2 2 285.432 0.944 10 0 CCAELP CCC[C@H](C(=O)NCC[N@H+]1CCOC(C)(C)C1)[NH+](C)C ZINC000179155555 389641986 /nfs/dbraw/zinc/64/19/86/389641986.db2.gz KYPMVFNLAOFOQZ-CYBMUJFWSA-N 2 2 285.432 0.944 10 0 CCAELP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)CO[C@H](C)COC)C1 ZINC000389264523 389771523 /nfs/dbraw/zinc/77/15/23/389771523.db2.gz PJQMIOBYZMBUNG-FRRDWIJNSA-N 2 2 260.378 0.083 10 0 CCAELP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)CO[C@H](C)COC)C1 ZINC000389264523 389771527 /nfs/dbraw/zinc/77/15/27/389771527.db2.gz PJQMIOBYZMBUNG-FRRDWIJNSA-N 2 2 260.378 0.083 10 0 CCAELP CC[C@@H](O)C[NH+]1CCN(CCCn2cc[nH+]c2)CC1 ZINC000183182363 389726229 /nfs/dbraw/zinc/72/62/29/389726229.db2.gz KFVKJWWAOZXGKT-CQSZACIVSA-N 2 2 266.389 0.662 10 0 CCAELP CC[NH+]1CCN(S(=O)(=O)c2cc(C[NH3+])ccc2C)CC1 ZINC000020189388 171056153 /nfs/dbraw/zinc/05/61/53/171056153.db2.gz OROLCDQOTBQQBX-UHFFFAOYSA-N 2 2 297.424 0.780 10 0 CCAELP O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020434057 171199503 /nfs/dbraw/zinc/19/95/03/171199503.db2.gz SIZUHYDEYSPLPR-HUUCEWRRSA-N 2 2 289.379 0.054 10 0 CCAELP CC[N@H+](CC(=O)N1CCOC1=O)C1CC[NH2+]CC1 ZINC000037538271 173259367 /nfs/dbraw/zinc/25/93/67/173259367.db2.gz KDPYBGAPSXOQMH-UHFFFAOYSA-N 2 2 255.318 0.039 10 0 CCAELP CC[N@@H+](CC(=O)N1CCOC1=O)C1CC[NH2+]CC1 ZINC000037538271 173259368 /nfs/dbraw/zinc/25/93/68/173259368.db2.gz KDPYBGAPSXOQMH-UHFFFAOYSA-N 2 2 255.318 0.039 10 0 CCAELP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CCC[C@H](O)C2)n1C ZINC000070143542 544449106 /nfs/dbraw/zinc/44/91/06/544449106.db2.gz UBIYIDWBKNEPEI-PWSUYJOCSA-N 2 2 252.362 0.879 10 0 CCAELP Cc1cc(CO)cc(N2CC[C@@H]([NH+]3CCOCC3)C2)[nH+]1 ZINC000228449593 544843667 /nfs/dbraw/zinc/84/36/67/544843667.db2.gz CEHRVEGOCRPVRN-CQSZACIVSA-N 2 2 277.368 0.793 10 0 CCAELP CC1(C)CN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)CC[C@@H]1[NH3+] ZINC000335971484 275840563 /nfs/dbraw/zinc/84/05/63/275840563.db2.gz YGBINOICWZDRMJ-BDAKNGLRSA-N 2 2 261.316 0.569 10 0 CCAELP CC(C)N1C(=O)C[C@H]([NH2+][C@H](C)CC[NH+](C)C)C1=O ZINC000049554925 519667931 /nfs/dbraw/zinc/66/79/31/519667931.db2.gz CAOFJXRZMFWYBC-MNOVXSKESA-N 2 2 255.362 0.452 10 0 CCAELP CCCNC(=O)C[N@H+](C)Cc1cccnc1C[NH3+] ZINC000061656731 519874509 /nfs/dbraw/zinc/87/45/09/519874509.db2.gz FDPGFPIIVLVYPH-UHFFFAOYSA-N 2 2 250.346 0.498 10 0 CCAELP CCCNC(=O)C[N@@H+](C)Cc1cccnc1C[NH3+] ZINC000061656731 519874510 /nfs/dbraw/zinc/87/45/10/519874510.db2.gz FDPGFPIIVLVYPH-UHFFFAOYSA-N 2 2 250.346 0.498 10 0 CCAELP CCOC(=O)[C@@H](CN1CC[NH+]([C@@H](C)CC)CC1)[NH2+]C ZINC000055070472 521065490 /nfs/dbraw/zinc/06/54/90/521065490.db2.gz QXNFHZYVGBKREO-QWHCGFSZSA-N 2 2 271.405 0.554 10 0 CCAELP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC(C)(C)n2cc[nH+]c2)O1 ZINC000898910359 633691482 /nfs/dbraw/zinc/69/14/82/633691482.db2.gz OCLGFQNKDBVBCZ-VXGBXAGGSA-N 2 2 280.372 0.454 10 0 CCAELP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC(C)(C)n2cc[nH+]c2)O1 ZINC000898910359 633691494 /nfs/dbraw/zinc/69/14/94/633691494.db2.gz OCLGFQNKDBVBCZ-VXGBXAGGSA-N 2 2 280.372 0.454 10 0 CCAELP C(C[NH2+]C1CC1)CN1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000062973810 637190159 /nfs/dbraw/zinc/19/01/59/637190159.db2.gz MHHPBOWDYOMEAR-CQSZACIVSA-N 2 2 253.390 0.535 10 0 CCAELP [NH3+]CCCCCC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062976788 637191889 /nfs/dbraw/zinc/19/18/89/637191889.db2.gz XXXLZXMGQWQTSU-ZDUSSCGKSA-N 2 2 269.389 0.439 10 0 CCAELP O[C@@H]1CC[N@@H+]([C@H]2CCC[C@H]2[NH2+]CCc2cn[nH]c2)C1 ZINC000886082446 647898574 /nfs/dbraw/zinc/89/85/74/647898574.db2.gz BODUIVCUUFGCAB-MCIONIFRSA-N 2 2 264.373 0.530 10 0 CCAELP O[C@@H]1CC[N@H+]([C@H]2CCC[C@H]2[NH2+]CCc2cn[nH]c2)C1 ZINC000886082446 647898578 /nfs/dbraw/zinc/89/85/78/647898578.db2.gz BODUIVCUUFGCAB-MCIONIFRSA-N 2 2 264.373 0.530 10 0 CCAELP c1nc(N2CCCC2)cc(NC[C@@H]2C[NH2+]CCO2)[nH+]1 ZINC000258744395 137005492 /nfs/dbraw/zinc/00/54/92/137005492.db2.gz WJYBZFYRYNQDOS-NSHDSACASA-N 2 2 263.345 0.477 10 0 CCAELP c1nc(NC[C@@H]2C[NH2+]CCO2)cc(N2CCCC2)[nH+]1 ZINC000258744395 137005493 /nfs/dbraw/zinc/00/54/93/137005493.db2.gz WJYBZFYRYNQDOS-NSHDSACASA-N 2 2 263.345 0.477 10 0 CCAELP Cn1cc[nH+]c1[C@H](NC(=O)C1C[NH2+]C1)c1cccc(F)c1 ZINC000263256902 137061636 /nfs/dbraw/zinc/06/16/36/137061636.db2.gz FSSIABCQWKACGU-CYBMUJFWSA-N 2 2 288.326 0.984 10 0 CCAELP COc1cc(OC)c(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)c(OC)c1 ZINC000263247558 137061773 /nfs/dbraw/zinc/06/17/73/137061773.db2.gz PMNSZVKKKIFOKB-GWCFXTLKSA-N 2 2 296.367 0.382 10 0 CCAELP CCC[N@H+](C)Cc1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263219387 137060444 /nfs/dbraw/zinc/06/04/44/137060444.db2.gz LOGHJUZYNWKXSU-JTQLQIEISA-N 2 2 253.350 0.488 10 0 CCAELP CCC[N@@H+](C)Cc1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263219387 137060445 /nfs/dbraw/zinc/06/04/45/137060445.db2.gz LOGHJUZYNWKXSU-JTQLQIEISA-N 2 2 253.350 0.488 10 0 CCAELP O=C(CC[C@@H]1CCC[NH2+]C1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062976754 348674188 /nfs/dbraw/zinc/67/41/88/348674188.db2.gz RDDBJNDLURYPOO-GJZGRUSLSA-N 2 2 295.427 0.699 10 0 CCAELP COCC[NH+]=C1Nc2ccccc2CN[C@@]12CC[NH2+]C2 ZINC000065265843 348709013 /nfs/dbraw/zinc/70/90/13/348709013.db2.gz YISIKURUICYLTD-OAHLLOKOSA-N 2 2 274.368 0.788 10 0 CCAELP COC(=O)CC[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105915909 186089716 /nfs/dbraw/zinc/08/97/16/186089716.db2.gz FYCZABCLBRGQSD-UHFFFAOYSA-N 2 2 294.399 0.842 10 0 CCAELP COC(=O)CC[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105915909 186089717 /nfs/dbraw/zinc/08/97/17/186089717.db2.gz FYCZABCLBRGQSD-UHFFFAOYSA-N 2 2 294.399 0.842 10 0 CCAELP C[C@H](CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)[NH+]1CCOCC1 ZINC000171900857 350941213 /nfs/dbraw/zinc/94/12/13/350941213.db2.gz HDEMWNBXQHDBAH-ZIAGYGMSSA-N 2 2 296.415 0.197 10 0 CCAELP C[C@H](CNC(=O)N1CC[N@H+]2CCC[C@@H]2C1)[NH+]1CCOCC1 ZINC000171900857 350941216 /nfs/dbraw/zinc/94/12/16/350941216.db2.gz HDEMWNBXQHDBAH-ZIAGYGMSSA-N 2 2 296.415 0.197 10 0 CCAELP COCCCNC(=O)C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000226465437 352028735 /nfs/dbraw/zinc/02/87/35/352028735.db2.gz YVCJGUVNMYVWPZ-LBPRGKRZSA-N 2 2 257.378 0.213 10 0 CCAELP COCCCNC(=O)C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000226465437 352028737 /nfs/dbraw/zinc/02/87/37/352028737.db2.gz YVCJGUVNMYVWPZ-LBPRGKRZSA-N 2 2 257.378 0.213 10 0 CCAELP CCC[C@H](C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1)[NH+](C)C ZINC000245788557 352338067 /nfs/dbraw/zinc/33/80/67/352338067.db2.gz ILQZLZGQVLISIJ-ZNMIVQPWSA-N 2 2 297.443 0.896 10 0 CCAELP CC(C)c1nc(N2CC[C@@H]3C[NH2+]C[C@@H]32)nc(N(C)C)[nH+]1 ZINC000333655890 354771642 /nfs/dbraw/zinc/77/16/42/354771642.db2.gz KQYPAIOURJSISM-MNOVXSKESA-N 2 2 276.388 0.859 10 0 CCAELP Cc1nc(NC[C@H]2C[NH2+]CCO2)c2c([nH+]1)CCCC2 ZINC000333676575 354775449 /nfs/dbraw/zinc/77/54/49/354775449.db2.gz OBCPBTJGESQCSJ-LLVKDONJSA-N 2 2 262.357 0.486 10 0 CCAELP O=C(N[C@H]1CCCC[NH2+]C1)N1CCn2cc[nH+]c2C1 ZINC000333709590 354780011 /nfs/dbraw/zinc/78/00/11/354780011.db2.gz SAMMYOWSQYLIID-NSHDSACASA-N 2 2 263.345 0.550 10 0 CCAELP O=C([C@H]1CC[NH2+]CC1(F)F)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000335120227 354967333 /nfs/dbraw/zinc/96/73/33/354967333.db2.gz VJQPSDGOVKDGEM-NWDGAFQWSA-N 2 2 287.354 0.928 10 0 CCAELP O=C([C@H]1CC[NH2+]CC1(F)F)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000335120227 354967337 /nfs/dbraw/zinc/96/73/37/354967337.db2.gz VJQPSDGOVKDGEM-NWDGAFQWSA-N 2 2 287.354 0.928 10 0 CCAELP Cc1ccccc1N1CC[NH+](CCNC(N)=[NH2+])CC1 ZINC000584604917 359178721 /nfs/dbraw/zinc/17/87/21/359178721.db2.gz FQLLYWNTUCWSAX-UHFFFAOYSA-N 2 2 261.373 0.600 10 0 CCAELP [NH3+][C@@H]1CCC[C@H]1C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000085375097 283584216 /nfs/dbraw/zinc/58/42/16/283584216.db2.gz GQFXSIAHFKICES-YNEHKIRRSA-N 2 2 267.373 0.047 10 0 CCAELP CO[C@H]1C[N@H+](CCCc2nc(C)no2)[C@](C)(C[NH3+])C1 ZINC000630370106 370072046 /nfs/dbraw/zinc/07/20/46/370072046.db2.gz YPHASCVFDRHKIF-YPMHNXCESA-N 2 2 268.361 0.749 10 0 CCAELP CO[C@H]1C[N@@H+](CCCc2nc(C)no2)[C@](C)(C[NH3+])C1 ZINC000630370106 370072048 /nfs/dbraw/zinc/07/20/48/370072048.db2.gz YPHASCVFDRHKIF-YPMHNXCESA-N 2 2 268.361 0.749 10 0 CCAELP O=C([C@@H]1COCC[NH2+]1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000088371104 284508813 /nfs/dbraw/zinc/50/88/13/284508813.db2.gz PHZZWUXQSTYNKZ-STQMWFEESA-N 2 2 267.373 0.062 10 0 CCAELP C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000335368508 208293073 /nfs/dbraw/zinc/29/30/73/208293073.db2.gz MIQBDGNLGALZNT-VHSXEESVSA-N 2 2 261.316 0.394 10 0 CCAELP CC[C@H]1CN(c2cc[nH+]cc2C(N)=O)CC[N@@H+]1CCOC ZINC000302035968 389062368 /nfs/dbraw/zinc/06/23/68/389062368.db2.gz PIZYIJHYBATXAL-LBPRGKRZSA-N 2 2 292.383 0.728 10 0 CCAELP CC[C@H]1CN(c2cc[nH+]cc2C(N)=O)CC[N@H+]1CCOC ZINC000302035968 389062372 /nfs/dbraw/zinc/06/23/72/389062372.db2.gz PIZYIJHYBATXAL-LBPRGKRZSA-N 2 2 292.383 0.728 10 0 CCAELP C[NH+]1CCN(C(=O)C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)CC1 ZINC000120719970 389144630 /nfs/dbraw/zinc/14/46/30/389144630.db2.gz VJBHNMYMSOHSNE-UONOGXRCSA-N 2 2 281.400 0.404 10 0 CCAELP C[NH+]1CCN(C(=O)C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)CC1 ZINC000120719970 389144634 /nfs/dbraw/zinc/14/46/34/389144634.db2.gz VJBHNMYMSOHSNE-UONOGXRCSA-N 2 2 281.400 0.404 10 0 CCAELP COC[C@H](O)C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195287764 389121861 /nfs/dbraw/zinc/12/18/61/389121861.db2.gz MKPJFIJMZKNEPR-JKSUJKDBSA-N 2 2 293.411 0.843 10 0 CCAELP COC[C@H](O)C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195287764 389121863 /nfs/dbraw/zinc/12/18/63/389121863.db2.gz MKPJFIJMZKNEPR-JKSUJKDBSA-N 2 2 293.411 0.843 10 0 CCAELP COC[C@H](O)C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195287764 389121864 /nfs/dbraw/zinc/12/18/64/389121864.db2.gz MKPJFIJMZKNEPR-JKSUJKDBSA-N 2 2 293.411 0.843 10 0 CCAELP COC[C@H](O)C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195287764 389121866 /nfs/dbraw/zinc/12/18/66/389121866.db2.gz MKPJFIJMZKNEPR-JKSUJKDBSA-N 2 2 293.411 0.843 10 0 CCAELP CC[C@@H]1CN([C@@H](C)C[NH+]2CCOCC2)CC[N@@H+]1C[C@H](C)O ZINC000246172164 389224653 /nfs/dbraw/zinc/22/46/53/389224653.db2.gz VKSPZBKDUHNWGA-HRCADAONSA-N 2 2 299.459 0.484 10 0 CCAELP CC[C@@H]1CN([C@@H](C)C[NH+]2CCOCC2)CC[N@H+]1C[C@H](C)O ZINC000246172164 389224654 /nfs/dbraw/zinc/22/46/54/389224654.db2.gz VKSPZBKDUHNWGA-HRCADAONSA-N 2 2 299.459 0.484 10 0 CCAELP CC(C)N(CC[NH+](C)C)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000158464770 389343108 /nfs/dbraw/zinc/34/31/08/389343108.db2.gz RDBTYOGCQOKQKN-CYBMUJFWSA-N 2 2 286.420 0.299 10 0 CCAELP CC(C)N(CC[NH+](C)C)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000158464770 389343110 /nfs/dbraw/zinc/34/31/10/389343110.db2.gz RDBTYOGCQOKQKN-CYBMUJFWSA-N 2 2 286.420 0.299 10 0 CCAELP C[C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C[C@@H]1[NH3+] ZINC000333348245 389409769 /nfs/dbraw/zinc/40/97/69/389409769.db2.gz ZUUDXEGBFUZKBB-KWCYVHTRSA-N 2 2 281.400 0.435 10 0 CCAELP C[C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C[C@@H]1[NH3+] ZINC000333348245 389409774 /nfs/dbraw/zinc/40/97/74/389409774.db2.gz ZUUDXEGBFUZKBB-KWCYVHTRSA-N 2 2 281.400 0.435 10 0 CCAELP c1nc(N2CCCCC2)cc(NC[C@H]2C[NH2+]CCO2)[nH+]1 ZINC000333705718 389440690 /nfs/dbraw/zinc/44/06/90/389440690.db2.gz RMLAJMOYTKAWSH-GFCCVEGCSA-N 2 2 277.372 0.867 10 0 CCAELP c1nc(NC[C@H]2C[NH2+]CCO2)cc(N2CCCCC2)[nH+]1 ZINC000333705718 389440694 /nfs/dbraw/zinc/44/06/94/389440694.db2.gz RMLAJMOYTKAWSH-GFCCVEGCSA-N 2 2 277.372 0.867 10 0 CCAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ncnn1C ZINC000177372688 389581307 /nfs/dbraw/zinc/58/13/07/389581307.db2.gz HEDJMYFSJFNMEL-LBPRGKRZSA-N 2 2 260.345 0.985 10 0 CCAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ncnn1C ZINC000177372688 389581311 /nfs/dbraw/zinc/58/13/11/389581311.db2.gz HEDJMYFSJFNMEL-LBPRGKRZSA-N 2 2 260.345 0.985 10 0 CCAELP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@H+](CCO)C2)C[C@H](C)O1 ZINC000645083655 390368583 /nfs/dbraw/zinc/36/85/83/390368583.db2.gz CGPJNFXFXSZCJI-RQJABVFESA-N 2 2 256.390 0.989 10 0 CCAELP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@@H+](CCO)C2)C[C@H](C)O1 ZINC000645083655 390368587 /nfs/dbraw/zinc/36/85/87/390368587.db2.gz CGPJNFXFXSZCJI-RQJABVFESA-N 2 2 256.390 0.989 10 0 CCAELP CCc1nc(N2CCO[C@H]([C@@H](C)[NH3+])C2)cc(C)[nH+]1 ZINC000385517403 397498849 /nfs/dbraw/zinc/49/88/49/397498849.db2.gz YHOYDANXKBYFNW-MNOVXSKESA-N 2 2 250.346 0.900 10 0 CCAELP CC[N@H+](C)C[C@H](O)C[NH+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000311147094 411750406 /nfs/dbraw/zinc/75/04/06/411750406.db2.gz MIMLQLQDGJTKCM-MELADBBJSA-N 2 2 256.390 0.942 10 0 CCAELP CC[N@@H+](C)C[C@H](O)C[NH+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000311147094 411750412 /nfs/dbraw/zinc/75/04/12/411750412.db2.gz MIMLQLQDGJTKCM-MELADBBJSA-N 2 2 256.390 0.942 10 0 CCAELP CC[NH+](C)C[C@H](O)C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000311147094 411750413 /nfs/dbraw/zinc/75/04/13/411750413.db2.gz MIMLQLQDGJTKCM-MELADBBJSA-N 2 2 256.390 0.942 10 0 CCAELP CC[NH+](C)C[C@H](O)C[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000311147094 411750418 /nfs/dbraw/zinc/75/04/18/411750418.db2.gz MIMLQLQDGJTKCM-MELADBBJSA-N 2 2 256.390 0.942 10 0 CCAELP CN(CC(=O)N1CC[NH2+]CC1)c1[nH]c2ccccc2[nH+]1 ZINC000038031630 174026333 /nfs/dbraw/zinc/02/63/33/174026333.db2.gz DZCWZGXDSNEPPN-UHFFFAOYSA-N 2 2 273.340 0.431 10 0 CCAELP CCCNc1nc[nH+]c(NN2CC[NH+](C)CC2)c1N ZINC000040707705 174380148 /nfs/dbraw/zinc/38/01/48/174380148.db2.gz SMYPOSCQYQXWET-UHFFFAOYSA-N 2 2 265.365 0.455 10 0 CCAELP C[NH+]1CCN(Nc2[nH+]cnc(N3CCCC3)c2N)CC1 ZINC000040724308 174386451 /nfs/dbraw/zinc/38/64/51/174386451.db2.gz QNTBALNQPPMZCZ-UHFFFAOYSA-N 2 2 277.376 0.233 10 0 CCAELP C[NH+]1CCN(Nc2nc[nH+]c(NNC(C)(C)C)c2N)CC1 ZINC000040756982 174396008 /nfs/dbraw/zinc/39/60/08/174396008.db2.gz SQKWFDDWLMMWET-UHFFFAOYSA-N 2 2 294.407 0.348 10 0 CCAELP C[NH+]1CCN(Nc2[nH+]cnc(NNC(C)(C)C)c2N)CC1 ZINC000040756982 174396009 /nfs/dbraw/zinc/39/60/09/174396009.db2.gz SQKWFDDWLMMWET-UHFFFAOYSA-N 2 2 294.407 0.348 10 0 CCAELP CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000662702623 414743536 /nfs/dbraw/zinc/74/35/36/414743536.db2.gz AKYCJUZIRWKQFK-NXEZZACHSA-N 2 2 261.316 0.584 10 0 CCAELP CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000662702623 414743537 /nfs/dbraw/zinc/74/35/37/414743537.db2.gz AKYCJUZIRWKQFK-NXEZZACHSA-N 2 2 261.316 0.584 10 0 CCAELP CC[C@H](C)NC(=O)[C@@H](C)[N@H+](CCC[NH3+])CCOC ZINC000071224816 176088810 /nfs/dbraw/zinc/08/88/10/176088810.db2.gz OSNHMITVXOQEIU-NWDGAFQWSA-N 2 2 259.394 0.587 10 0 CCAELP CC[C@H](C)NC(=O)[C@@H](C)[N@@H+](CCC[NH3+])CCOC ZINC000071224816 176088812 /nfs/dbraw/zinc/08/88/12/176088812.db2.gz OSNHMITVXOQEIU-NWDGAFQWSA-N 2 2 259.394 0.587 10 0 CCAELP CC(C)[N@@H+]1CC[C@H]([NH3+])C12C[C@H]1CC[C@@H](C2)S1(=O)=O ZINC000725266010 545885857 /nfs/dbraw/zinc/88/58/57/545885857.db2.gz KRENBKLKFVECAS-FXJUQPSGSA-N 2 2 272.414 0.906 10 0 CCAELP CC(C)[N@H+]1CC[C@H]([NH3+])C12C[C@H]1CC[C@@H](C2)S1(=O)=O ZINC000725266010 545885860 /nfs/dbraw/zinc/88/58/60/545885860.db2.gz KRENBKLKFVECAS-FXJUQPSGSA-N 2 2 272.414 0.906 10 0 CCAELP C[C@@H](CNC(=O)c1ccc(C[NH3+])o1)[NH+]1CCOCC1 ZINC000164913032 544720715 /nfs/dbraw/zinc/72/07/15/544720715.db2.gz MHLXICSDZYUITB-JTQLQIEISA-N 2 2 267.329 0.189 10 0 CCAELP CCc1cc(N2CCO[C@H]([C@H](C)[NH3+])C2)nc(C)[nH+]1 ZINC000252688151 544930395 /nfs/dbraw/zinc/93/03/95/544930395.db2.gz NHRHKZWDZJKTJD-CABZTGNLSA-N 2 2 250.346 0.900 10 0 CCAELP C[C@@]1(F)C[NH2+]CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000336221966 278126003 /nfs/dbraw/zinc/12/60/03/278126003.db2.gz OVDPOIDTDAHYBA-WCBMZHEXSA-N 2 2 265.279 0.144 10 0 CCAELP C[C@H](C[NH+]1CCOCC1)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000246130180 279317356 /nfs/dbraw/zinc/31/73/56/279317356.db2.gz RIPWVFUNTUOUTB-KFWWJZLASA-N 2 2 285.432 0.094 10 0 CCAELP C[C@H](C[NH+]1CCOCC1)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000246130180 279317361 /nfs/dbraw/zinc/31/73/61/279317361.db2.gz RIPWVFUNTUOUTB-KFWWJZLASA-N 2 2 285.432 0.094 10 0 CCAELP O=C(CC[NH+]1CCC([NH+]2CCCC2)CC1)N1CC[NH2+]CC1 ZINC000262117137 295473349 /nfs/dbraw/zinc/47/33/49/295473349.db2.gz MZQQOCTVEDEVNA-UHFFFAOYSA-N 3 2 294.443 0.369 10 0 CCAELP CN[C@@H](CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)OC ZINC000062443287 522341916 /nfs/dbraw/zinc/34/19/16/522341916.db2.gz ZWHGUAWAJWVELT-LBPRGKRZSA-N 2 2 257.378 0.164 10 0 CCAELP CN[C@@H](CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)OC ZINC000062443287 522341924 /nfs/dbraw/zinc/34/19/24/522341924.db2.gz ZWHGUAWAJWVELT-LBPRGKRZSA-N 2 2 257.378 0.164 10 0 CCAELP C[NH2+][C@H](CCN1CC[NH+](C(C)C)CC1)C(=O)OC ZINC000062449976 522459248 /nfs/dbraw/zinc/45/92/48/522459248.db2.gz FFCHRPUSYMFJIC-GFCCVEGCSA-N 2 2 257.378 0.164 10 0 CCAELP CC(C)(C)N1CC[NH+](C[C@H]2CC[C@H](C[NH3+])O2)CC1 ZINC000052571650 518711345 /nfs/dbraw/zinc/71/13/45/518711345.db2.gz CLBOVGJAZSRQGN-CHWSQXEVSA-N 2 2 255.406 0.909 10 0 CCAELP COCC[C@@H]([NH3+])C(=O)Nc1ccc[nH+]c1N(C)C ZINC000052792305 521832413 /nfs/dbraw/zinc/83/24/13/521832413.db2.gz YNQGLNHLXNKXPM-SECBINFHSA-N 2 2 252.318 0.450 10 0 CCAELP COC[C@H](C)NC(=O)C[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000049291050 522603185 /nfs/dbraw/zinc/60/31/85/522603185.db2.gz RLVWUGGMAJLRAP-MNOVXSKESA-N 2 2 254.334 0.012 10 0 CCAELP CC[C@@H]1CN(CCn2cc[nH+]c2)CC[N@@H+]1C[C@@H](C)O ZINC000161670490 523445995 /nfs/dbraw/zinc/44/59/95/523445995.db2.gz BNMAIDVOWBFLQG-ZIAGYGMSSA-N 2 2 266.389 0.660 10 0 CCAELP CC[C@@H]1CN(CCn2cc[nH+]c2)CC[N@H+]1C[C@@H](C)O ZINC000161670490 523446005 /nfs/dbraw/zinc/44/60/05/523446005.db2.gz BNMAIDVOWBFLQG-ZIAGYGMSSA-N 2 2 266.389 0.660 10 0 CCAELP COC(=O)[C@@H](CCN1CC[NH+](C)CC1)[NH2+]C(C)C ZINC000062440591 523572309 /nfs/dbraw/zinc/57/23/09/523572309.db2.gz XYQYUZUPAYCCIA-GFCCVEGCSA-N 2 2 257.378 0.164 10 0 CCAELP C[C@@H](C[NH+]1CCCC1)[NH2+]C[C@@H](O)Cn1cccn1 ZINC000049163989 524592518 /nfs/dbraw/zinc/59/25/18/524592518.db2.gz FHBDVEBCTALDCQ-QWHCGFSZSA-N 2 2 252.362 0.318 10 0 CCAELP Cc1[nH+]ccn1CC[N@@H+]1CCCN(CC[NH3+])CC1 ZINC000049329600 527426429 /nfs/dbraw/zinc/42/64/29/527426429.db2.gz NFAARRXXEPAGLC-UHFFFAOYSA-N 3 2 251.378 0.158 10 0 CCAELP Cc1[nH+]ccn1CC[N@H+]1CCCN(CC[NH3+])CC1 ZINC000049329600 527426433 /nfs/dbraw/zinc/42/64/33/527426433.db2.gz NFAARRXXEPAGLC-UHFFFAOYSA-N 3 2 251.378 0.158 10 0 CCAELP CC[N@@H+]1CCO[C@H](C[NH2+]Cc2c(C)cnn2C)C1 ZINC000394886683 581168929 /nfs/dbraw/zinc/16/89/29/581168929.db2.gz RBKHCRZEUJGESL-GFCCVEGCSA-N 2 2 252.362 0.539 10 0 CCAELP CC[N@H+]1CCO[C@H](C[NH2+]Cc2c(C)cnn2C)C1 ZINC000394886683 581168932 /nfs/dbraw/zinc/16/89/32/581168932.db2.gz RBKHCRZEUJGESL-GFCCVEGCSA-N 2 2 252.362 0.539 10 0 CCAELP OCC[N@@H+]1CCC[C@@H]([NH2+]Cc2ccc(CO)cc2)C1 ZINC000395007075 581169877 /nfs/dbraw/zinc/16/98/77/581169877.db2.gz RYMWFSJRSVWWGQ-OAHLLOKOSA-N 2 2 264.369 0.725 10 0 CCAELP OCC[N@H+]1CCC[C@@H]([NH2+]Cc2ccc(CO)cc2)C1 ZINC000395007075 581169880 /nfs/dbraw/zinc/16/98/80/581169880.db2.gz RYMWFSJRSVWWGQ-OAHLLOKOSA-N 2 2 264.369 0.725 10 0 CCAELP CO[C@H]1C[C@@H](C(=O)Nc2cc(C[NH+](C)C)ccn2)[N@H+](C)C1 ZINC000886031663 617119209 /nfs/dbraw/zinc/11/92/09/617119209.db2.gz KKGLCEOAJDEXJD-STQMWFEESA-N 2 2 292.383 0.801 10 0 CCAELP CO[C@H]1C[C@@H](C(=O)Nc2cc(C[NH+](C)C)ccn2)[N@@H+](C)C1 ZINC000886031663 617119210 /nfs/dbraw/zinc/11/92/10/617119210.db2.gz KKGLCEOAJDEXJD-STQMWFEESA-N 2 2 292.383 0.801 10 0 CCAELP C[C@@H]1C[N@H+](C)C[C@@H](C(=O)NCC(C)(C)n2cc[nH+]c2)O1 ZINC000898910356 633690483 /nfs/dbraw/zinc/69/04/83/633690483.db2.gz OCLGFQNKDBVBCZ-NEPJUHHUSA-N 2 2 280.372 0.454 10 0 CCAELP C[C@@H]1C[N@@H+](C)C[C@@H](C(=O)NCC(C)(C)n2cc[nH+]c2)O1 ZINC000898910356 633690485 /nfs/dbraw/zinc/69/04/85/633690485.db2.gz OCLGFQNKDBVBCZ-NEPJUHHUSA-N 2 2 280.372 0.454 10 0 CCAELP C[C@@H]1C[NH+]=C(N2CCN(C(=O)C3CC[NH2+]CC3)CC2)S1 ZINC000262701742 137051064 /nfs/dbraw/zinc/05/10/64/137051064.db2.gz IPJFZLIIFXOOJX-LLVKDONJSA-N 2 2 296.440 0.622 10 0 CCAELP Cc1nn2c(C[NH2+]C[C@H]3C[NH2+]C[C@@H]3O)c(C)nc2s1 ZINC000263133357 137059006 /nfs/dbraw/zinc/05/90/06/137059006.db2.gz BVJITDXBEPOBGS-ONGXEEELSA-N 2 2 281.385 0.078 10 0 CCAELP [NH3+]C[C@H]1CC[C@@H](C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)O1 ZINC000261749338 137018269 /nfs/dbraw/zinc/01/82/69/137018269.db2.gz LBDUXRXNJCJSRC-YPMHNXCESA-N 2 2 278.356 0.622 10 0 CCAELP [NH3+]C[C@H]1CC[C@@H](C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)O1 ZINC000261749338 137018270 /nfs/dbraw/zinc/01/82/70/137018270.db2.gz LBDUXRXNJCJSRC-YPMHNXCESA-N 2 2 278.356 0.622 10 0 CCAELP C[NH2+]CCC1CCN(C(=O)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000262006101 137027943 /nfs/dbraw/zinc/02/79/43/137027943.db2.gz GVWOQBRPYXCEOI-CYBMUJFWSA-N 2 2 283.416 0.555 10 0 CCAELP NC(=O)NC(=O)OCCC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000120704797 350001379 /nfs/dbraw/zinc/00/13/79/350001379.db2.gz IYKMZFUMVWOIAV-UHFFFAOYSA-N 2 2 298.387 0.742 10 0 CCAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCCn2cc[nH+]c2)C1 ZINC000130793023 350248723 /nfs/dbraw/zinc/24/87/23/350248723.db2.gz DKMSCYCXLVXKKD-OLZOCXBDSA-N 2 2 279.388 0.911 10 0 CCAELP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NCCn2cc[nH+]c2)C1 ZINC000130793023 350248726 /nfs/dbraw/zinc/24/87/26/350248726.db2.gz DKMSCYCXLVXKKD-OLZOCXBDSA-N 2 2 279.388 0.911 10 0 CCAELP CC[N@@H+]1CCO[C@H](CNc2cc[nH+]c(N(C)C)n2)C1 ZINC000134958677 350381345 /nfs/dbraw/zinc/38/13/45/350381345.db2.gz BCGNKXRKARSXRV-LLVKDONJSA-N 2 2 265.361 0.675 10 0 CCAELP CC[N@H+]1CCO[C@H](CNc2cc[nH+]c(N(C)C)n2)C1 ZINC000134958677 350381346 /nfs/dbraw/zinc/38/13/46/350381346.db2.gz BCGNKXRKARSXRV-LLVKDONJSA-N 2 2 265.361 0.675 10 0 CCAELP c1cn(CC[NH+]2CCN(Cc3ccon3)CC2)c[nH+]1 ZINC000163153740 350761461 /nfs/dbraw/zinc/76/14/61/350761461.db2.gz RPGMXFSHEFIKHL-UHFFFAOYSA-N 2 2 261.329 0.689 10 0 CCAELP C[NH+](C)[C@@H]1CCN(C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000170862511 350868704 /nfs/dbraw/zinc/86/87/04/350868704.db2.gz SZKPETWROHAMCE-CYBMUJFWSA-N 2 2 298.431 0.443 10 0 CCAELP CC[C@@H]1CN(Cc2[nH]cc[nH+]2)CC[N@@H+]1CCOC ZINC000111228144 186371450 /nfs/dbraw/zinc/37/14/50/186371450.db2.gz SMQGZZIJKWIOFD-GFCCVEGCSA-N 2 2 252.362 0.952 10 0 CCAELP CC[C@@H]1CN(Cc2[nH]cc[nH+]2)CC[N@H+]1CCOC ZINC000111228144 186371452 /nfs/dbraw/zinc/37/14/52/186371452.db2.gz SMQGZZIJKWIOFD-GFCCVEGCSA-N 2 2 252.362 0.952 10 0 CCAELP C[N@H+](CCO)C1CC[NH+](CCn2cccn2)CC1 ZINC000171594649 350919355 /nfs/dbraw/zinc/91/93/55/350919355.db2.gz SQAUTPOYUQHCPB-UHFFFAOYSA-N 2 2 252.362 0.272 10 0 CCAELP C[N@@H+](CCO)C1CC[NH+](CCn2cccn2)CC1 ZINC000171594649 350919357 /nfs/dbraw/zinc/91/93/57/350919357.db2.gz SQAUTPOYUQHCPB-UHFFFAOYSA-N 2 2 252.362 0.272 10 0 CCAELP Nc1nc(NCCc2c[nH]c[nH+]2)cc(C2CC([NH3+])C2)n1 ZINC000220535075 351974124 /nfs/dbraw/zinc/97/41/24/351974124.db2.gz TWVQUZAABRGCAH-UHFFFAOYSA-N 2 2 273.344 0.641 10 0 CCAELP CC[C@H]1CN(Cc2[nH]cc[nH+]2)CC[N@@H+]1C[C@H](C)O ZINC000247478587 352417284 /nfs/dbraw/zinc/41/72/84/352417284.db2.gz FGLLJZVNRSKRLY-RYUDHWBXSA-N 2 2 252.362 0.687 10 0 CCAELP CC[C@H]1CN(Cc2[nH]cc[nH+]2)CC[N@H+]1C[C@H](C)O ZINC000247478587 352417287 /nfs/dbraw/zinc/41/72/87/352417287.db2.gz FGLLJZVNRSKRLY-RYUDHWBXSA-N 2 2 252.362 0.687 10 0 CCAELP C[N@@H+]1CCO[C@H](C(=O)N(C[C@H]2CCC[NH2+]2)C2CC2)C1 ZINC000249074634 352476583 /nfs/dbraw/zinc/47/65/83/352476583.db2.gz AROOAZNMAAIWBF-YPMHNXCESA-N 2 2 267.373 0.060 10 0 CCAELP C[N@H+]1CCO[C@H](C(=O)N(C[C@H]2CCC[NH2+]2)C2CC2)C1 ZINC000249074634 352476585 /nfs/dbraw/zinc/47/65/85/352476585.db2.gz AROOAZNMAAIWBF-YPMHNXCESA-N 2 2 267.373 0.060 10 0 CCAELP Cc1cc2c(N3CC[N@@H+](C)C[C@H]3C[NH3+])nccn2n1 ZINC000252834675 352525329 /nfs/dbraw/zinc/52/53/29/352525329.db2.gz RVEIKWXYMJZHPI-LLVKDONJSA-N 2 2 260.345 0.117 10 0 CCAELP Cc1cc2c(N3CC[N@H+](C)C[C@H]3C[NH3+])nccn2n1 ZINC000252834675 352525333 /nfs/dbraw/zinc/52/53/33/352525333.db2.gz RVEIKWXYMJZHPI-LLVKDONJSA-N 2 2 260.345 0.117 10 0 CCAELP C[N@@H+]1CCO[C@H](CNC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)C1 ZINC000333603039 283024407 /nfs/dbraw/zinc/02/44/07/283024407.db2.gz PSVNUHLMXFUEQS-RFQIPJPRSA-N 2 2 296.415 0.086 10 0 CCAELP C[N@H+]1CCO[C@H](CNC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)C1 ZINC000333603039 283024412 /nfs/dbraw/zinc/02/44/12/283024412.db2.gz PSVNUHLMXFUEQS-RFQIPJPRSA-N 2 2 296.415 0.086 10 0 CCAELP O[C@@]1(Cn2ccnn2)CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000328923037 202116654 /nfs/dbraw/zinc/11/66/54/202116654.db2.gz CTNOJIHRSWMYTQ-ZDUSSCGKSA-N 2 2 276.344 0.002 10 0 CCAELP O[C@@]1(Cn2ccnn2)CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000328923037 202116658 /nfs/dbraw/zinc/11/66/58/202116658.db2.gz CTNOJIHRSWMYTQ-ZDUSSCGKSA-N 2 2 276.344 0.002 10 0 CCAELP NC(=O)c1ccc(C[NH2+][C@H]2CCC[N@H+](CCO)C2)cc1 ZINC000384337810 357720962 /nfs/dbraw/zinc/72/09/62/357720962.db2.gz BSLCXXGGRYBTPH-AWEZNQCLSA-N 2 2 277.368 0.332 10 0 CCAELP NC(=O)c1ccc(C[NH2+][C@H]2CCC[N@@H+](CCO)C2)cc1 ZINC000384337810 357720966 /nfs/dbraw/zinc/72/09/66/357720966.db2.gz BSLCXXGGRYBTPH-AWEZNQCLSA-N 2 2 277.368 0.332 10 0 CCAELP CC1(C)C[C@@H]([NH2+][C@H]2CCC[N@H+](CCO)C2)CCO1 ZINC000384641437 357721598 /nfs/dbraw/zinc/72/15/98/357721598.db2.gz XIGQCWRXMYOSHN-STQMWFEESA-N 2 2 256.390 0.990 10 0 CCAELP CC1(C)C[C@@H]([NH2+][C@H]2CCC[N@@H+](CCO)C2)CCO1 ZINC000384641437 357721602 /nfs/dbraw/zinc/72/16/02/357721602.db2.gz XIGQCWRXMYOSHN-STQMWFEESA-N 2 2 256.390 0.990 10 0 CCAELP CC[N@@H+]1CCO[C@H](CNc2cc(C)[nH+]cc2C#N)C1 ZINC000399482414 357783327 /nfs/dbraw/zinc/78/33/27/357783327.db2.gz ZWKNZSGRTSWZOA-CYBMUJFWSA-N 2 2 260.341 0.816 10 0 CCAELP CC[N@H+]1CCO[C@H](CNc2cc(C)[nH+]cc2C#N)C1 ZINC000399482414 357783332 /nfs/dbraw/zinc/78/33/32/357783332.db2.gz ZWKNZSGRTSWZOA-CYBMUJFWSA-N 2 2 260.341 0.816 10 0 CCAELP CO[C@H]1C[N@H+](CCOC2CCOCC2)[C@@](C)(C[NH3+])C1 ZINC000630366379 370067550 /nfs/dbraw/zinc/06/75/50/370067550.db2.gz KGCQKEFRZKNWJS-ZIAGYGMSSA-N 2 2 272.389 0.620 10 0 CCAELP CO[C@H]1C[N@@H+](CCOC2CCOCC2)[C@@](C)(C[NH3+])C1 ZINC000630366379 370067552 /nfs/dbraw/zinc/06/75/52/370067552.db2.gz KGCQKEFRZKNWJS-ZIAGYGMSSA-N 2 2 272.389 0.620 10 0 CCAELP CO[C@H]1C[N@H+](CCN2CCCC2=O)[C@](C)(C[NH3+])C1 ZINC000630366707 370067638 /nfs/dbraw/zinc/06/76/38/370067638.db2.gz YOIDYOCDJIVNFX-YPMHNXCESA-N 2 2 255.362 0.047 10 0 CCAELP CO[C@H]1C[N@@H+](CCN2CCCC2=O)[C@](C)(C[NH3+])C1 ZINC000630366707 370067639 /nfs/dbraw/zinc/06/76/39/370067639.db2.gz YOIDYOCDJIVNFX-YPMHNXCESA-N 2 2 255.362 0.047 10 0 CCAELP Cc1cc(NC(=O)N2CC[NH2+]C[C@@](C)(F)C2)cc[nH+]1 ZINC000334822087 207138004 /nfs/dbraw/zinc/13/80/04/207138004.db2.gz AQJZOWZNADGQNF-CYBMUJFWSA-N 2 2 266.320 0.977 10 0 CCAELP CC[C@H](C(=O)N1CC[C@H]([NH+]2CCOCC2)C1)[NH+](C)C ZINC000162027617 389412867 /nfs/dbraw/zinc/41/28/67/389412867.db2.gz VMGXKQKYUFEMGI-QWHCGFSZSA-N 2 2 269.389 0.260 10 0 CCAELP C[N@@H+]1CCO[C@H](C(=O)N2CC[NH+]3CCCC[C@@H]3C2)C1 ZINC000174343583 389519559 /nfs/dbraw/zinc/51/95/59/389519559.db2.gz QDHXLDFOAPGBSB-OLZOCXBDSA-N 2 2 267.373 0.014 10 0 CCAELP C[N@H+]1CCO[C@H](C(=O)N2CC[NH+]3CCCC[C@@H]3C2)C1 ZINC000174343583 389519563 /nfs/dbraw/zinc/51/95/63/389519563.db2.gz QDHXLDFOAPGBSB-OLZOCXBDSA-N 2 2 267.373 0.014 10 0 CCAELP C[NH+]1CCO[C@H](C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)C1 ZINC000174343583 389519570 /nfs/dbraw/zinc/51/95/70/389519570.db2.gz QDHXLDFOAPGBSB-OLZOCXBDSA-N 2 2 267.373 0.014 10 0 CCAELP C[NH+]1CCO[C@H](C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)C1 ZINC000174343583 389519577 /nfs/dbraw/zinc/51/95/77/389519577.db2.gz QDHXLDFOAPGBSB-OLZOCXBDSA-N 2 2 267.373 0.014 10 0 CCAELP COC[C@@]1(C(=O)NCCCCn2cc[nH+]c2)CCC[NH2+]1 ZINC000649303074 390562252 /nfs/dbraw/zinc/56/22/52/390562252.db2.gz SEPFOIOXCOJWAI-CQSZACIVSA-N 2 2 280.372 0.548 10 0 CCAELP O=C(NCCCCNc1cccc[nH+]1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000262569460 131234362 /nfs/dbraw/zinc/23/43/62/131234362.db2.gz YUELVVWFIIYNQP-NEPJUHHUSA-N 2 2 278.356 0.113 10 0 CCAELP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1c1cnn(C)c1 ZINC000382414204 397490071 /nfs/dbraw/zinc/49/00/71/397490071.db2.gz HBCNONXEDJRBAH-KBPBESRZSA-N 2 2 266.389 0.870 10 0 CCAELP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1c1cnn(C)c1 ZINC000382414204 397490075 /nfs/dbraw/zinc/49/00/75/397490075.db2.gz HBCNONXEDJRBAH-KBPBESRZSA-N 2 2 266.389 0.870 10 0 CCAELP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000382414204 397490080 /nfs/dbraw/zinc/49/00/80/397490080.db2.gz HBCNONXEDJRBAH-KBPBESRZSA-N 2 2 266.389 0.870 10 0 CCAELP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000382414204 397490085 /nfs/dbraw/zinc/49/00/85/397490085.db2.gz HBCNONXEDJRBAH-KBPBESRZSA-N 2 2 266.389 0.870 10 0 CCAELP [NH3+][C@H](C(=O)N1CC[C@H]([NH+]2CCOCC2)C1)c1ccccc1 ZINC000062976791 411686569 /nfs/dbraw/zinc/68/65/69/411686569.db2.gz YRCQHBZAGZLONQ-GJZGRUSLSA-N 2 2 289.379 0.620 10 0 CCAELP CN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(NN)[nH+]c1 ZINC000021812073 171329825 /nfs/dbraw/zinc/32/98/25/171329825.db2.gz XCWUUTGTOIHQKG-UHFFFAOYSA-N 2 2 299.400 0.082 10 0 CCAELP [NH3+]Cc1ccc(NC(=O)C[NH+]2CCC(O)CC2)cc1 ZINC000022162314 171364904 /nfs/dbraw/zinc/36/49/04/171364904.db2.gz RQJOJVNUUQTMGK-UHFFFAOYSA-N 2 2 263.341 0.541 10 0 CCAELP O=C(NCc1[nH]cc[nH+]1)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653119442 412229078 /nfs/dbraw/zinc/22/90/78/412229078.db2.gz JZKXPWXFVUCVIO-RNFRBKRXSA-N 2 2 262.235 0.424 10 0 CCAELP CCC[NH+]1CCC([N@H+](C)CC(=O)N2CC[NH2+]CC2)CC1 ZINC000038031012 174023825 /nfs/dbraw/zinc/02/38/25/174023825.db2.gz GIIPCYPEEUSIEI-UHFFFAOYSA-N 3 2 282.432 0.224 10 0 CCAELP CCC[NH+]1CCC([N@@H+](C)CC(=O)N2CC[NH2+]CC2)CC1 ZINC000038031012 174023827 /nfs/dbraw/zinc/02/38/27/174023827.db2.gz GIIPCYPEEUSIEI-UHFFFAOYSA-N 3 2 282.432 0.224 10 0 CCAELP C[N@H+](CC(=O)N1CC[NH2+]CC1)[C@H]1CCOc2ccccc21 ZINC000038031088 174024317 /nfs/dbraw/zinc/02/43/17/174024317.db2.gz NRPTUMNQOOZBIC-AWEZNQCLSA-N 2 2 289.379 0.874 10 0 CCAELP C[N@@H+](CC(=O)N1CC[NH2+]CC1)[C@H]1CCOc2ccccc21 ZINC000038031088 174024318 /nfs/dbraw/zinc/02/43/18/174024318.db2.gz NRPTUMNQOOZBIC-AWEZNQCLSA-N 2 2 289.379 0.874 10 0 CCAELP CN(CCC(N)=S)C(=O)C[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071189183 176064985 /nfs/dbraw/zinc/06/49/85/176064985.db2.gz KIFIIZGYCFZNQE-LLVKDONJSA-N 2 2 286.445 0.005 10 0 CCAELP CN(CCC(N)=S)C(=O)C[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071189183 176064986 /nfs/dbraw/zinc/06/49/86/176064986.db2.gz KIFIIZGYCFZNQE-LLVKDONJSA-N 2 2 286.445 0.005 10 0 CCAELP CN(CCC(N)=S)C(=O)C[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071189183 176064987 /nfs/dbraw/zinc/06/49/87/176064987.db2.gz KIFIIZGYCFZNQE-LLVKDONJSA-N 2 2 286.445 0.005 10 0 CCAELP CN(CCC(N)=S)C(=O)C[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071189183 176064989 /nfs/dbraw/zinc/06/49/89/176064989.db2.gz KIFIIZGYCFZNQE-LLVKDONJSA-N 2 2 286.445 0.005 10 0 CCAELP C[N@H+]([C@H]1C[C@H]([NH3+])C12CCOCC2)C1CC[NH+](C)CC1 ZINC000725264489 545884792 /nfs/dbraw/zinc/88/47/92/545884792.db2.gz QRHUIFRFNNWCOC-KBPBESRZSA-N 3 2 267.417 0.909 10 0 CCAELP C[N@@H+]([C@H]1C[C@H]([NH3+])C12CCOCC2)C1CC[NH+](C)CC1 ZINC000725264489 545884797 /nfs/dbraw/zinc/88/47/97/545884797.db2.gz QRHUIFRFNNWCOC-KBPBESRZSA-N 3 2 267.417 0.909 10 0 CCAELP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccnn1C ZINC000192721543 227271160 /nfs/dbraw/zinc/27/11/60/227271160.db2.gz HQTUHHIPZRRBOP-QWHCGFSZSA-N 2 2 266.389 0.918 10 0 CCAELP C[C@@H](O)C[N@@H+]1CCN(C(=O)c2ccc(C[NH3+])o2)C[C@H]1C ZINC000167985618 544728965 /nfs/dbraw/zinc/72/89/65/544728965.db2.gz ISRMJIAXYWEKDA-GHMZBOCLSA-N 2 2 281.356 0.265 10 0 CCAELP C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccc(C[NH3+])o2)C[C@H]1C ZINC000167985618 544728966 /nfs/dbraw/zinc/72/89/66/544728966.db2.gz ISRMJIAXYWEKDA-GHMZBOCLSA-N 2 2 281.356 0.265 10 0 CCAELP C[C@@H]1CC[NH2+][C@@H](C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000229254127 544847872 /nfs/dbraw/zinc/84/78/72/544847872.db2.gz UAHIFCYQPXUDQX-MGPQQGTHSA-N 2 2 281.400 0.308 10 0 CCAELP O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000262068435 544938200 /nfs/dbraw/zinc/93/82/00/544938200.db2.gz BKPIADHUKAPMDX-OCCSQVGLSA-N 2 2 286.335 0.182 10 0 CCAELP C[C@H](CNC(=O)N[C@@H]1CCC[NH2+][C@H]1C)[NH+]1CCOCC1 ZINC000333931656 545044615 /nfs/dbraw/zinc/04/46/15/545044615.db2.gz GFDUTHFOJVLMBW-FRRDWIJNSA-N 2 2 284.404 0.147 10 0 CCAELP C[C@@H]1CN(C(=O)NCc2ccn3cc[nH+]c3c2)C[C@@H]1[NH3+] ZINC000333676291 545041678 /nfs/dbraw/zinc/04/16/78/545041678.db2.gz YZUNZQGAZKUBGA-PWSUYJOCSA-N 2 2 273.340 0.823 10 0 CCAELP CC[N@@H+]1CC[C@@H](NC(=O)N2CCn3c[nH+]cc3C2)C1 ZINC000334116436 276215744 /nfs/dbraw/zinc/21/57/44/276215744.db2.gz HOFSWKIBXNHBCB-LLVKDONJSA-N 2 2 263.345 0.503 10 0 CCAELP CC[N@H+]1CC[C@@H](NC(=O)N2CCn3c[nH+]cc3C2)C1 ZINC000334116436 276215745 /nfs/dbraw/zinc/21/57/45/276215745.db2.gz HOFSWKIBXNHBCB-LLVKDONJSA-N 2 2 263.345 0.503 10 0 CCAELP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062985583 295297702 /nfs/dbraw/zinc/29/77/02/295297702.db2.gz PPIASZKJHRQASX-QLFBSQMISA-N 2 2 295.427 0.827 10 0 CCAELP CC(C)[NH2+]C[C@@H](C)C[N@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000052482738 519722524 /nfs/dbraw/zinc/72/25/24/519722524.db2.gz ORKFKQWERWMDCC-VXGBXAGGSA-N 2 2 262.419 0.739 10 0 CCAELP CC(C)[NH2+]C[C@@H](C)C[N@@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000052482738 519722527 /nfs/dbraw/zinc/72/25/27/519722527.db2.gz ORKFKQWERWMDCC-VXGBXAGGSA-N 2 2 262.419 0.739 10 0 CCAELP CCCN(CC[NH+](C)C)C(=O)c1cccc(NN)[nH+]1 ZINC000051117383 521655328 /nfs/dbraw/zinc/65/53/28/521655328.db2.gz COJIKACEUBKAEU-UHFFFAOYSA-N 2 2 265.361 0.781 10 0 CCAELP CC[NH+](CC)CCCNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000368649352 535517710 /nfs/dbraw/zinc/51/77/10/535517710.db2.gz DHIAUPXKQUFUBF-JTQLQIEISA-N 2 2 263.332 0.832 10 0 CCAELP C[NH+](C)Cc1cccc(C(=O)NC[C@@H]2C[N@H+](C)CCO2)c1 ZINC000156029682 521917442 /nfs/dbraw/zinc/91/74/42/521917442.db2.gz OWLKMYGHHXLRFA-OAHLLOKOSA-N 2 2 291.395 0.809 10 0 CCAELP C[NH+](C)Cc1cccc(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000156029682 521917455 /nfs/dbraw/zinc/91/74/55/521917455.db2.gz OWLKMYGHHXLRFA-OAHLLOKOSA-N 2 2 291.395 0.809 10 0 CCAELP CO[C@H]1CC[N@@H+]([C@H]2CCC[C@H]2[NH2+]CCN2CCNC2=O)C1 ZINC000886082568 617101755 /nfs/dbraw/zinc/10/17/55/617101755.db2.gz PCTJENWFRSYXMK-MJBXVCDLSA-N 2 2 296.415 0.243 10 0 CCAELP CO[C@H]1CC[N@H+]([C@H]2CCC[C@H]2[NH2+]CCN2CCNC2=O)C1 ZINC000886082568 617101756 /nfs/dbraw/zinc/10/17/56/617101756.db2.gz PCTJENWFRSYXMK-MJBXVCDLSA-N 2 2 296.415 0.243 10 0 CCAELP C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[NH2+]Cc3ccccc32)C1 ZINC000091669493 349472901 /nfs/dbraw/zinc/47/29/01/349472901.db2.gz PQEZLMULDSABHO-UKRRQHHQSA-N 2 2 289.379 0.320 10 0 CCAELP C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[NH2+]Cc3ccccc32)C1 ZINC000091669493 349472902 /nfs/dbraw/zinc/47/29/02/349472902.db2.gz PQEZLMULDSABHO-UKRRQHHQSA-N 2 2 289.379 0.320 10 0 CCAELP CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H]2C[NH+](C)CCO2)C1 ZINC000105174476 349721701 /nfs/dbraw/zinc/72/17/01/349721701.db2.gz ONDONLHCKSROFE-CHWSQXEVSA-N 2 2 284.404 0.101 10 0 CCAELP CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@H]2C[NH+](C)CCO2)C1 ZINC000105174476 349721704 /nfs/dbraw/zinc/72/17/04/349721704.db2.gz ONDONLHCKSROFE-CHWSQXEVSA-N 2 2 284.404 0.101 10 0 CCAELP CC[NH+]1CCC[C@@H](NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000105174476 349721709 /nfs/dbraw/zinc/72/17/09/349721709.db2.gz ONDONLHCKSROFE-CHWSQXEVSA-N 2 2 284.404 0.101 10 0 CCAELP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1cnn(C)c1 ZINC000151290419 290656465 /nfs/dbraw/zinc/65/64/65/290656465.db2.gz PSOATKIHGQBJTJ-JSGCOSHPSA-N 2 2 266.389 0.918 10 0 CCAELP Fc1cncc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000261613670 137012055 /nfs/dbraw/zinc/01/20/55/137012055.db2.gz SVNLLRMHKYKTIT-CQSZACIVSA-N 2 2 264.348 0.700 10 0 CCAELP CC(C)CNC(=O)NC(=O)C[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261628843 137013354 /nfs/dbraw/zinc/01/33/54/137013354.db2.gz AYVLRNJGKPAZCB-LLVKDONJSA-N 2 2 284.404 0.527 10 0 CCAELP CC(C)CNC(=O)NC(=O)C[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261628843 137013355 /nfs/dbraw/zinc/01/33/55/137013355.db2.gz AYVLRNJGKPAZCB-LLVKDONJSA-N 2 2 284.404 0.527 10 0 CCAELP C[C@@H](CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+])[NH+]1CCN(C)CC1 ZINC000261780792 137019391 /nfs/dbraw/zinc/01/93/91/137019391.db2.gz LDFBCCSOEUYIKR-BFHYXJOUSA-N 2 2 282.432 0.114 10 0 CCAELP Cn1c(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)nc2ccc(Cl)cc21 ZINC000263308163 137064030 /nfs/dbraw/zinc/06/40/30/137064030.db2.gz YEVLCIHUGAZSOD-RNCFNFMXSA-N 2 2 294.786 0.897 10 0 CCAELP O=C([C@H]1CC[NH2+]C1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000062114568 348664987 /nfs/dbraw/zinc/66/49/87/348664987.db2.gz OMHOWRLBDJRHJZ-AWEZNQCLSA-N 2 2 274.368 0.335 10 0 CCAELP CC[NH+](CC)CC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000063732466 348691451 /nfs/dbraw/zinc/69/14/51/348691451.db2.gz RQQWJSDEAPVZPP-LBPRGKRZSA-N 2 2 257.378 0.165 10 0 CCAELP COC(=O)C1=C(O)CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000070460875 348891413 /nfs/dbraw/zinc/89/14/13/348891413.db2.gz YBODLLKAMKIXJT-CYBMUJFWSA-N 2 2 282.384 0.926 10 0 CCAELP COC(=O)C1=C(O)CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000070460875 348891416 /nfs/dbraw/zinc/89/14/16/348891416.db2.gz YBODLLKAMKIXJT-CYBMUJFWSA-N 2 2 282.384 0.926 10 0 CCAELP [NH3+]C1CC[NH+](CC(=O)NC2CCSCC2)CC1 ZINC000156914518 350636840 /nfs/dbraw/zinc/63/68/40/350636840.db2.gz NNIHOVAKECRSCY-UHFFFAOYSA-N 2 2 257.403 0.421 10 0 CCAELP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170829748 350865616 /nfs/dbraw/zinc/86/56/16/350865616.db2.gz QWZBXQJYTMTPAI-OLZOCXBDSA-N 2 2 284.404 0.053 10 0 CCAELP CN1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)CC1=O ZINC000191124107 351748334 /nfs/dbraw/zinc/74/83/34/351748334.db2.gz RKMPVJWUQUOEHJ-UHFFFAOYSA-N 2 2 285.351 0.931 10 0 CCAELP CN1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)CC1=O ZINC000191124107 351748338 /nfs/dbraw/zinc/74/83/38/351748338.db2.gz RKMPVJWUQUOEHJ-UHFFFAOYSA-N 2 2 285.351 0.931 10 0 CCAELP CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H](C)[NH+]2CCOCC2)C1 ZINC000249750718 352501233 /nfs/dbraw/zinc/50/12/33/352501233.db2.gz CKCWNQNSUNICSP-UONOGXRCSA-N 2 2 298.431 0.491 10 0 CCAELP CC[N@H+]1CCC[C@@H](NC(=O)NC[C@H](C)[NH+]2CCOCC2)C1 ZINC000249750718 352501236 /nfs/dbraw/zinc/50/12/36/352501236.db2.gz CKCWNQNSUNICSP-UONOGXRCSA-N 2 2 298.431 0.491 10 0 CCAELP C[N@@H+]1CCO[C@@H]2CCN(c3[nH+]cnc4[nH]ccc43)C[C@@H]21 ZINC000328946248 283000148 /nfs/dbraw/zinc/00/01/48/283000148.db2.gz JYANJORMVKBAGT-NWDGAFQWSA-N 2 2 273.340 0.867 10 0 CCAELP C[N@H+]1CCO[C@@H]2CCN(c3[nH+]cnc4[nH]ccc43)C[C@@H]21 ZINC000328946248 283000152 /nfs/dbraw/zinc/00/01/52/283000152.db2.gz JYANJORMVKBAGT-NWDGAFQWSA-N 2 2 273.340 0.867 10 0 CCAELP C[N@@H+]1CCO[C@H](CNC(=O)NC[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000246358388 283024325 /nfs/dbraw/zinc/02/43/25/283024325.db2.gz DXQGEAFLNRHSHU-TZMCWYRMSA-N 2 2 296.415 0.101 10 0 CCAELP C[N@H+]1CCO[C@H](CNC(=O)NC[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000246358388 283024331 /nfs/dbraw/zinc/02/43/31/283024331.db2.gz DXQGEAFLNRHSHU-TZMCWYRMSA-N 2 2 296.415 0.101 10 0 CCAELP C[NH+]1CCO[C@H](CNC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000246358388 283024335 /nfs/dbraw/zinc/02/43/35/283024335.db2.gz DXQGEAFLNRHSHU-TZMCWYRMSA-N 2 2 296.415 0.101 10 0 CCAELP C[NH+]1CCO[C@H](CNC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000246358388 283024340 /nfs/dbraw/zinc/02/43/40/283024340.db2.gz DXQGEAFLNRHSHU-TZMCWYRMSA-N 2 2 296.415 0.101 10 0 CCAELP C[NH2+]CC1CC[NH+](Cc2nnnn2C(C)C)CC1 ZINC000584719976 359195497 /nfs/dbraw/zinc/19/54/97/359195497.db2.gz BRGGOGZLXDURDU-UHFFFAOYSA-N 2 2 252.366 0.685 10 0 CCAELP O=C([C@@H]1CCC[N@@H+]1C1CC[NH2+]CC1)N1CCCC[C@@H]1CO ZINC000038043214 296017595 /nfs/dbraw/zinc/01/75/95/296017595.db2.gz BMYIGFVGWQXFHK-CABCVRRESA-N 2 2 295.427 0.576 10 0 CCAELP O=C([C@@H]1CCC[N@H+]1C1CC[NH2+]CC1)N1CCCC[C@@H]1CO ZINC000038043214 296017597 /nfs/dbraw/zinc/01/75/97/296017597.db2.gz BMYIGFVGWQXFHK-CABCVRRESA-N 2 2 295.427 0.576 10 0 CCAELP C[C@H]1C[N@H+](Cc2cc(=O)n3ccsc3n2)C[C@@H]1C[NH3+] ZINC000631843547 370709688 /nfs/dbraw/zinc/70/96/88/370709688.db2.gz PEBZXXFSCOKKTP-UWVGGRQHSA-N 2 2 278.381 0.783 10 0 CCAELP C[C@H]1C[N@@H+](Cc2cc(=O)n3ccsc3n2)C[C@@H]1C[NH3+] ZINC000631843547 370709691 /nfs/dbraw/zinc/70/96/91/370709691.db2.gz PEBZXXFSCOKKTP-UWVGGRQHSA-N 2 2 278.381 0.783 10 0 CCAELP C[C@H]1C[N@H+](CC(=O)NCC(F)(F)F)C[C@H]1C[NH3+] ZINC000631844216 370710613 /nfs/dbraw/zinc/71/06/13/370710613.db2.gz VXWPQXQFJDQIQE-JGVFFNPUSA-N 2 2 253.268 0.192 10 0 CCAELP C[C@H]1C[N@@H+](CC(=O)NCC(F)(F)F)C[C@H]1C[NH3+] ZINC000631844216 370710618 /nfs/dbraw/zinc/71/06/18/370710618.db2.gz VXWPQXQFJDQIQE-JGVFFNPUSA-N 2 2 253.268 0.192 10 0 CCAELP [NH3+]CC[N@@H+]1CCCOC[C@@H]1c1ccccc1CCO ZINC000616598371 365378873 /nfs/dbraw/zinc/37/88/73/365378873.db2.gz XXPPQJQSWDMRID-OAHLLOKOSA-N 2 2 264.369 0.944 10 0 CCAELP [NH3+]CC[N@H+]1CCCOC[C@@H]1c1ccccc1CCO ZINC000616598371 365378877 /nfs/dbraw/zinc/37/88/77/365378877.db2.gz XXPPQJQSWDMRID-OAHLLOKOSA-N 2 2 264.369 0.944 10 0 CCAELP [NH3+]CC[N@@H+]1CCOC[C@@H](c2ccc(CO)cc2)C1 ZINC000616660830 365413804 /nfs/dbraw/zinc/41/38/04/365413804.db2.gz PIAGWNANVVQIGB-AWEZNQCLSA-N 2 2 250.342 0.553 10 0 CCAELP [NH3+]CC[N@H+]1CCOC[C@@H](c2ccc(CO)cc2)C1 ZINC000616660830 365413809 /nfs/dbraw/zinc/41/38/09/365413809.db2.gz PIAGWNANVVQIGB-AWEZNQCLSA-N 2 2 250.342 0.553 10 0 CCAELP CO[C@H]1C[N@H+](CCc2cnn(C)c2)[C@@](C)(C[NH3+])C1 ZINC000630368092 370069205 /nfs/dbraw/zinc/06/92/05/370069205.db2.gz QGSLJKJPLOZRAU-CHWSQXEVSA-N 2 2 252.362 0.401 10 0 CCAELP CO[C@H]1C[N@@H+](CCc2cnn(C)c2)[C@@](C)(C[NH3+])C1 ZINC000630368092 370069208 /nfs/dbraw/zinc/06/92/08/370069208.db2.gz QGSLJKJPLOZRAU-CHWSQXEVSA-N 2 2 252.362 0.401 10 0 CCAELP Cc1cc(NC(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)cc[nH+]1 ZINC000333193097 205106652 /nfs/dbraw/zinc/10/66/52/205106652.db2.gz SOZSFXWCGCWRFY-CQSZACIVSA-N 2 2 289.383 0.323 10 0 CCAELP OC[C@H]1CCCN1c1cc(N[C@H]2CCC[NH2+]C2)nc[nH+]1 ZINC000333499391 205377591 /nfs/dbraw/zinc/37/75/91/205377591.db2.gz HQKJAPBDRCJPGC-NWDGAFQWSA-N 2 2 277.372 0.602 10 0 CCAELP CC[N@@H+]1CC[C@@H](NC(=O)N2CCn3cc[nH+]c3C2)C1 ZINC000334116922 206024030 /nfs/dbraw/zinc/02/40/30/206024030.db2.gz HWJPAWRPCYSAJT-LLVKDONJSA-N 2 2 263.345 0.503 10 0 CCAELP CC[N@H+]1CC[C@@H](NC(=O)N2CCn3cc[nH+]c3C2)C1 ZINC000334116922 206024034 /nfs/dbraw/zinc/02/40/34/206024034.db2.gz HWJPAWRPCYSAJT-LLVKDONJSA-N 2 2 263.345 0.503 10 0 CCAELP C[C@@H](CNC(=O)C1CC[NH+](C2CC2)CC1)[NH+]1CCOCC1 ZINC000194195184 284927997 /nfs/dbraw/zinc/92/79/97/284927997.db2.gz FMYIUASCSXXNDP-ZDUSSCGKSA-N 2 2 295.427 0.698 10 0 CCAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1nncn1C ZINC000178755527 389620691 /nfs/dbraw/zinc/62/06/91/389620691.db2.gz JKDMVBFUNAHLTG-LBPRGKRZSA-N 2 2 260.345 0.985 10 0 CCAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1nncn1C ZINC000178755527 389620694 /nfs/dbraw/zinc/62/06/94/389620694.db2.gz JKDMVBFUNAHLTG-LBPRGKRZSA-N 2 2 260.345 0.985 10 0 CCAELP CO[C@H]1C[C@@H](C(=O)NCc2cc[nH+]c(N(C)C)c2)[N@H+](C)C1 ZINC000583617456 390297811 /nfs/dbraw/zinc/29/78/11/390297811.db2.gz SNWMPZAAPCYCDA-STQMWFEESA-N 2 2 292.383 0.483 10 0 CCAELP CO[C@H]1C[C@@H](C(=O)NCc2cc[nH+]c(N(C)C)c2)[N@@H+](C)C1 ZINC000583617456 390297815 /nfs/dbraw/zinc/29/78/15/390297815.db2.gz SNWMPZAAPCYCDA-STQMWFEESA-N 2 2 292.383 0.483 10 0 CCAELP COC[C@]1(C(=O)N[C@H](C)Cn2cc[nH+]c2)CCC[NH2+]1 ZINC000649299608 390560154 /nfs/dbraw/zinc/56/01/54/390560154.db2.gz BJFNSEFFOAYHEQ-YPMHNXCESA-N 2 2 266.345 0.156 10 0 CCAELP C[C@H](Cn1cc[nH+]c1)NC(=O)C1CCC([NH3+])CC1 ZINC000037626608 397382390 /nfs/dbraw/zinc/38/23/90/397382390.db2.gz LGEYBKIOAOXOLE-VOMCLLRMSA-N 2 2 250.346 0.905 10 0 CCAELP CC(C)n1nnnc1C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652352780 412035958 /nfs/dbraw/zinc/03/59/58/412035958.db2.gz WJIPZRNSXWVGDI-AAEUAGOBSA-N 2 2 264.377 0.815 10 0 CCAELP CC(C)n1nnnc1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652352780 412035964 /nfs/dbraw/zinc/03/59/64/412035964.db2.gz WJIPZRNSXWVGDI-AAEUAGOBSA-N 2 2 264.377 0.815 10 0 CCAELP O=C(NCCc1[nH]cc[nH+]1)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653119258 412229352 /nfs/dbraw/zinc/22/93/52/412229352.db2.gz CZFRBAICKAPRQB-HTQZYQBOSA-N 2 2 276.262 0.466 10 0 CCAELP C[C@H]([NH2+]CCCS(C)(=O)=O)[C@@H]1CCC[N@H+](C)C1 ZINC000038047492 174057478 /nfs/dbraw/zinc/05/74/78/174057478.db2.gz UFDHLLGCXREQTE-NWDGAFQWSA-N 2 2 262.419 0.741 10 0 CCAELP C[C@H]([NH2+]CCCS(C)(=O)=O)[C@@H]1CCC[N@@H+](C)C1 ZINC000038047492 174057480 /nfs/dbraw/zinc/05/74/80/174057480.db2.gz UFDHLLGCXREQTE-NWDGAFQWSA-N 2 2 262.419 0.741 10 0 CCAELP C[N@@H+]1CCO[C@@H](CNC(=O)c2cc3c(s2)CC[NH2+]C3)C1 ZINC000662425653 414717374 /nfs/dbraw/zinc/71/73/74/414717374.db2.gz GLMWVIONPBEROY-NSHDSACASA-N 2 2 295.408 0.454 10 0 CCAELP C[N@H+]1CCO[C@@H](CNC(=O)c2cc3c(s2)CC[NH2+]C3)C1 ZINC000662425653 414717375 /nfs/dbraw/zinc/71/73/75/414717375.db2.gz GLMWVIONPBEROY-NSHDSACASA-N 2 2 295.408 0.454 10 0 CCAELP C[NH+](C)CCCNc1nc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000072105135 176316650 /nfs/dbraw/zinc/31/66/50/176316650.db2.gz KWQGUHYJRYAPHM-UHFFFAOYSA-N 3 2 278.404 0.592 10 0 CCAELP C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccc(C[NH3+])o2)C[C@@H]1C ZINC000246240362 544909138 /nfs/dbraw/zinc/90/91/38/544909138.db2.gz ISRMJIAXYWEKDA-QWRGUYRKSA-N 2 2 281.356 0.265 10 0 CCAELP C[C@H](O)C[N@H+]1CCN(C(=O)c2ccc(C[NH3+])o2)C[C@@H]1C ZINC000246240362 544909142 /nfs/dbraw/zinc/90/91/42/544909142.db2.gz ISRMJIAXYWEKDA-QWRGUYRKSA-N 2 2 281.356 0.265 10 0 CCAELP C[C@H](CNC(=O)N[C@@H]1CCCC[NH2+]C1)[NH+]1CCOCC1 ZINC000333899469 545044404 /nfs/dbraw/zinc/04/44/04/545044404.db2.gz BICNXEKZKLSGBI-CHWSQXEVSA-N 2 2 284.404 0.148 10 0 CCAELP C[N@@H+]1CCO[C@H](CNC(=O)N[C@H]2CC[NH+]3CCCC[C@@H]23)C1 ZINC000332790060 545034124 /nfs/dbraw/zinc/03/41/24/545034124.db2.gz UXQOADBQVSRXKL-RDBSUJKOSA-N 2 2 296.415 0.243 10 0 CCAELP C[N@H+]1CCO[C@H](CNC(=O)N[C@H]2CC[NH+]3CCCC[C@@H]23)C1 ZINC000332790060 545034126 /nfs/dbraw/zinc/03/41/26/545034126.db2.gz UXQOADBQVSRXKL-RDBSUJKOSA-N 2 2 296.415 0.243 10 0 CCAELP C[NH+]1CCO[C@H](CNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000332790060 545034127 /nfs/dbraw/zinc/03/41/27/545034127.db2.gz UXQOADBQVSRXKL-RDBSUJKOSA-N 2 2 296.415 0.243 10 0 CCAELP C[NH+]1CCO[C@H](CNC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000332790060 545034129 /nfs/dbraw/zinc/03/41/29/545034129.db2.gz UXQOADBQVSRXKL-RDBSUJKOSA-N 2 2 296.415 0.243 10 0 CCAELP C[C@@H](O)C[N@@H+]1CCN(CCn2cc[nH+]c2)C[C@@H]1C ZINC000161667840 274269087 /nfs/dbraw/zinc/26/90/87/274269087.db2.gz ORFPGBUNHMRHPY-QWHCGFSZSA-N 2 2 252.362 0.270 10 0 CCAELP C[C@@H](O)C[N@H+]1CCN(CCn2cc[nH+]c2)C[C@@H]1C ZINC000161667840 274269088 /nfs/dbraw/zinc/26/90/88/274269088.db2.gz ORFPGBUNHMRHPY-QWHCGFSZSA-N 2 2 252.362 0.270 10 0 CCAELP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)N[C@@H]1CC[NH2+]C1)C2 ZINC000333676001 278074480 /nfs/dbraw/zinc/07/44/80/278074480.db2.gz NYCNGLQVLFDAKO-LLVKDONJSA-N 2 2 291.399 0.973 10 0 CCAELP CC(C)(C)NC(=O)NC(=O)C[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261627226 278364630 /nfs/dbraw/zinc/36/46/30/278364630.db2.gz AWVUFCZGHGUBDP-JTQLQIEISA-N 2 2 284.404 0.670 10 0 CCAELP CC(C)(C)NC(=O)NC(=O)C[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261627226 278364634 /nfs/dbraw/zinc/36/46/34/278364634.db2.gz AWVUFCZGHGUBDP-JTQLQIEISA-N 2 2 284.404 0.670 10 0 CCAELP [NH3+][C@@H]1CC[C@@H](C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000227796143 279678133 /nfs/dbraw/zinc/67/81/33/279678133.db2.gz VZCUIVAZLHTUCX-JHJVBQTASA-N 2 2 267.373 0.047 10 0 CCAELP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC000245464188 288304279 /nfs/dbraw/zinc/30/42/79/288304279.db2.gz PFFKLEVJAVOEOD-JHJVBQTASA-N 2 2 267.373 0.012 10 0 CCAELP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC000245464188 288304280 /nfs/dbraw/zinc/30/42/80/288304280.db2.gz PFFKLEVJAVOEOD-JHJVBQTASA-N 2 2 267.373 0.012 10 0 CCAELP C[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000245464188 288304281 /nfs/dbraw/zinc/30/42/81/288304281.db2.gz PFFKLEVJAVOEOD-JHJVBQTASA-N 2 2 267.373 0.012 10 0 CCAELP C[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000245464188 288304282 /nfs/dbraw/zinc/30/42/82/288304282.db2.gz PFFKLEVJAVOEOD-JHJVBQTASA-N 2 2 267.373 0.012 10 0 CCAELP C[C@@H]1COCC[N@@H+]1CCN1CCC[NH+](C2CC2)CC1 ZINC000192703930 288342861 /nfs/dbraw/zinc/34/28/61/288342861.db2.gz NEMONHHUDBIFAF-CQSZACIVSA-N 2 2 267.417 0.877 10 0 CCAELP C[C@@H]1COCC[N@H+]1CCN1CCC[NH+](C2CC2)CC1 ZINC000192703930 288342868 /nfs/dbraw/zinc/34/28/68/288342868.db2.gz NEMONHHUDBIFAF-CQSZACIVSA-N 2 2 267.417 0.877 10 0 CCAELP C[C@@H]1COCC[NH+]1CCN1CCC[N@@H+](C2CC2)CC1 ZINC000192703930 288342871 /nfs/dbraw/zinc/34/28/71/288342871.db2.gz NEMONHHUDBIFAF-CQSZACIVSA-N 2 2 267.417 0.877 10 0 CCAELP C[C@@H]1COCC[NH+]1CCN1CCC[N@H+](C2CC2)CC1 ZINC000192703930 288342873 /nfs/dbraw/zinc/34/28/73/288342873.db2.gz NEMONHHUDBIFAF-CQSZACIVSA-N 2 2 267.417 0.877 10 0 CCAELP C[C@@H]1C[N@H+](CCN2C[C@H]3CCC[NH+]3C[C@@H]2C)CCO1 ZINC000192740794 297005117 /nfs/dbraw/zinc/00/51/17/297005117.db2.gz MFGCCQBYNLZCKZ-RRFJBIMHSA-N 2 2 267.417 0.876 10 0 CCAELP C[C@@H]1C[N@@H+](CCN2C[C@H]3CCC[NH+]3C[C@@H]2C)CCO1 ZINC000192740794 297005118 /nfs/dbraw/zinc/00/51/18/297005118.db2.gz MFGCCQBYNLZCKZ-RRFJBIMHSA-N 2 2 267.417 0.876 10 0 CCAELP C[C@@H]1C[NH+](CCN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)CCO1 ZINC000192740794 297005119 /nfs/dbraw/zinc/00/51/19/297005119.db2.gz MFGCCQBYNLZCKZ-RRFJBIMHSA-N 2 2 267.417 0.876 10 0 CCAELP C[C@@H]1C[NH+](CCN2C[C@H]3CCC[N@H+]3C[C@@H]2C)CCO1 ZINC000192740794 297005120 /nfs/dbraw/zinc/00/51/20/297005120.db2.gz MFGCCQBYNLZCKZ-RRFJBIMHSA-N 2 2 267.417 0.876 10 0 CCAELP Cn1ccc(NC(=O)[C@@H]2CCC[N@@H+]2C2CC[NH2+]CC2)n1 ZINC000038043277 294358469 /nfs/dbraw/zinc/35/84/69/294358469.db2.gz AFAZVQTYOKWFGQ-LBPRGKRZSA-N 2 2 277.372 0.575 10 0 CCAELP Cn1ccc(NC(=O)[C@@H]2CCC[N@H+]2C2CC[NH2+]CC2)n1 ZINC000038043277 294358472 /nfs/dbraw/zinc/35/84/72/294358472.db2.gz AFAZVQTYOKWFGQ-LBPRGKRZSA-N 2 2 277.372 0.575 10 0 CCAELP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000220657706 295297798 /nfs/dbraw/zinc/29/77/98/295297798.db2.gz PPIASZKJHRQASX-RBSFLKMASA-N 2 2 295.427 0.827 10 0 CCAELP [NH3+][C@@H]1CCCC[C@H]1CC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000220657830 295298742 /nfs/dbraw/zinc/29/87/42/295298742.db2.gz PPIASZKJHRQASX-RRFJBIMHSA-N 2 2 295.427 0.827 10 0 CCAELP O=C(NCCCCn1cc[nH+]c1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000566171481 327155346 /nfs/dbraw/zinc/15/53/46/327155346.db2.gz JZZCIHZXEPFJCG-WDEREUQCSA-N 2 2 254.309 0.480 10 0 CCAELP O=C([C@H]1CC(F)(F)C[NH2+]1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000582603335 329114532 /nfs/dbraw/zinc/11/45/32/329114532.db2.gz VFUDASBTBMCCPL-WDEREUQCSA-N 2 2 273.327 0.680 10 0 CCAELP CC[NH2+]CC[C@@H](C)[NH+]1CCN(c2ncccn2)CC1 ZINC000052418513 519928328 /nfs/dbraw/zinc/92/83/28/519928328.db2.gz JRZMCDVPQWVQQB-CYBMUJFWSA-N 2 2 263.389 0.987 10 0 CCAELP CCCCOCC[N@H+](CC(N)=O)C1CC[NH2+]CC1 ZINC000049264105 520759842 /nfs/dbraw/zinc/75/98/42/520759842.db2.gz YIPYVYRKAAVPOP-UHFFFAOYSA-N 2 2 257.378 0.342 10 0 CCAELP CCCCOCC[N@@H+](CC(N)=O)C1CC[NH2+]CC1 ZINC000049264105 520759854 /nfs/dbraw/zinc/75/98/54/520759854.db2.gz YIPYVYRKAAVPOP-UHFFFAOYSA-N 2 2 257.378 0.342 10 0 CCAELP CC[NH2+][C@H](CN1CCC[C@@H]1C[NH+](C)C)C(=O)OC ZINC000061652920 520197602 /nfs/dbraw/zinc/19/76/02/520197602.db2.gz DURALUHCIBLXKL-VXGBXAGGSA-N 2 2 257.378 0.164 10 0 CCAELP CCOC1CC[NH+](CC[C@@H]([NH2+]C2CC2)C(N)=O)CC1 ZINC000062453429 521655818 /nfs/dbraw/zinc/65/58/18/521655818.db2.gz RLTMIGLDJTTZFD-CYBMUJFWSA-N 2 2 269.389 0.483 10 0 CCAELP C[C@H]1CC[N@H+](C[C@@H]2CCS(=O)(=O)C2)CCC[NH2+]1 ZINC000050604588 524290665 /nfs/dbraw/zinc/29/06/65/524290665.db2.gz WPHVYEWNAMCGRP-RYUDHWBXSA-N 2 2 260.403 0.495 10 0 CCAELP C[C@H]1CC[N@@H+](C[C@@H]2CCS(=O)(=O)C2)CCC[NH2+]1 ZINC000050604588 524290670 /nfs/dbraw/zinc/29/06/70/524290670.db2.gz WPHVYEWNAMCGRP-RYUDHWBXSA-N 2 2 260.403 0.495 10 0 CCAELP C[C@H](Cn1cc[nH+]c1)[NH2+]CC(=O)NCC(F)(F)F ZINC000049309938 524792287 /nfs/dbraw/zinc/79/22/87/524792287.db2.gz QBPMHNGNRSVBEA-MRVPVSSYSA-N 2 2 264.251 0.540 10 0 CCAELP O=S(=O)(C[C@@H]1CCCC[NH2+]1)Nc1cc[nH+]cc1 ZINC000049630584 527181813 /nfs/dbraw/zinc/18/18/13/527181813.db2.gz WUELDIFISZCRJW-NSHDSACASA-N 2 2 255.343 0.965 10 0 CCAELP [NH3+][C@@H](CC1CC1)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000311881340 623810566 /nfs/dbraw/zinc/81/05/66/623810566.db2.gz UQAZDTOIVXFKSU-STQMWFEESA-N 2 2 267.373 0.047 10 0 CCAELP C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000094754695 649748325 /nfs/dbraw/zinc/74/83/25/649748325.db2.gz CHQBOELUYUWUGH-XQQFMLRXSA-N 2 2 269.389 0.341 10 0 CCAELP C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000094754695 649748327 /nfs/dbraw/zinc/74/83/27/649748327.db2.gz CHQBOELUYUWUGH-XQQFMLRXSA-N 2 2 269.389 0.341 10 0 CCAELP O=C(CNc1cc(C(F)(F)F)cc[nH+]1)N1CC[NH2+]CC1 ZINC000090803786 349443788 /nfs/dbraw/zinc/44/37/88/349443788.db2.gz JTVHWCSVFYOEKV-UHFFFAOYSA-N 2 2 288.273 0.944 10 0 CCAELP [NH3+][C@@H]1CC[C@@H](C(=O)N2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000091543698 349466520 /nfs/dbraw/zinc/46/65/20/349466520.db2.gz XTYIKLPVRBNZQN-HUUCEWRRSA-N 2 2 288.395 0.853 10 0 CCAELP Cn1cc[nH+]c1CC1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC000105876088 349726787 /nfs/dbraw/zinc/72/67/87/349726787.db2.gz ZKNKLOWIRXWVLI-GFCCVEGCSA-N 2 2 263.341 0.990 10 0 CCAELP CCc1cc(N2CCC[C@@H]([NH2+][C@@H]3CC[NH2+]C3)C2)ncn1 ZINC000333221977 136385560 /nfs/dbraw/zinc/38/55/60/136385560.db2.gz ADOBROJXPYOTLI-ZIAGYGMSSA-N 2 2 275.400 0.959 10 0 CCAELP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cccc2c1OCO2 ZINC000263168146 137059658 /nfs/dbraw/zinc/05/96/58/137059658.db2.gz FJSLIPDWICZEQK-MNOVXSKESA-N 2 2 250.298 0.085 10 0 CCAELP COC(=O)c1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)oc1C ZINC000261827862 137021363 /nfs/dbraw/zinc/02/13/63/137021363.db2.gz ACJNJMIYLFLPFY-SKDRFNHKSA-N 2 2 268.313 0.045 10 0 CCAELP C[NH2+][C@H](C)C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000054074859 348541661 /nfs/dbraw/zinc/54/16/61/348541661.db2.gz WJFAMDILYUOWBV-GFCCVEGCSA-N 2 2 262.357 0.334 10 0 CCAELP O=C(CCC1CC[NH2+]CC1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062976829 348674341 /nfs/dbraw/zinc/67/43/41/348674341.db2.gz KFUWEIAKVFIVBN-HNNXBMFYSA-N 2 2 295.427 0.699 10 0 CCAELP CC1CC[NH+](CC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)CC1 ZINC000121544197 350044533 /nfs/dbraw/zinc/04/45/33/350044533.db2.gz ZTMXYURDPNMGPU-HNNXBMFYSA-N 2 2 295.427 0.651 10 0 CCAELP CC[N@@H+]1CCC[C@H](NC(=O)N(C)CC[NH+]2CCOCC2)C1 ZINC000105174349 186045126 /nfs/dbraw/zinc/04/51/26/186045126.db2.gz GQRLNADJBQITPU-AWEZNQCLSA-N 2 2 298.431 0.444 10 0 CCAELP O[C@@H]1C[NH2+]C[C@@H](Oc2ccccc2)[C@@H]1c1c[nH]c[nH+]1 ZINC000147209753 350468111 /nfs/dbraw/zinc/46/81/11/350468111.db2.gz URDVGFOVWHMGHT-MGPQQGTHSA-N 2 2 259.309 0.905 10 0 CCAELP CC(C)CCOCCNC(=O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193652702 351839189 /nfs/dbraw/zinc/83/91/89/351839189.db2.gz NRCCSMFEKNDCMZ-GASCZTMLSA-N 2 2 297.443 0.659 10 0 CCAELP CC(C)CCOCCNC(=O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193652702 351839192 /nfs/dbraw/zinc/83/91/92/351839192.db2.gz NRCCSMFEKNDCMZ-GASCZTMLSA-N 2 2 297.443 0.659 10 0 CCAELP CC(C)CCOCCNC(=O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193652702 351839196 /nfs/dbraw/zinc/83/91/96/351839196.db2.gz NRCCSMFEKNDCMZ-GASCZTMLSA-N 2 2 297.443 0.659 10 0 CCAELP CC(C)CCOCCNC(=O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193652702 351839198 /nfs/dbraw/zinc/83/91/98/351839198.db2.gz NRCCSMFEKNDCMZ-GASCZTMLSA-N 2 2 297.443 0.659 10 0 CCAELP Cc1cnn(C[C@@H]2C[N@H+](CCn3cc[nH+]c3)CCO2)c1 ZINC000122673771 187045137 /nfs/dbraw/zinc/04/51/37/187045137.db2.gz FDKXFGADRIXGKC-AWEZNQCLSA-N 2 2 275.356 0.789 10 0 CCAELP Cc1cnn(C[C@@H]2C[N@@H+](CCn3cc[nH+]c3)CCO2)c1 ZINC000122673771 187045138 /nfs/dbraw/zinc/04/51/38/187045138.db2.gz FDKXFGADRIXGKC-AWEZNQCLSA-N 2 2 275.356 0.789 10 0 CCAELP C[C@H](CNC(=O)C1([NH3+])CCCC1)[NH+]1CCOCC1 ZINC000237378913 352261646 /nfs/dbraw/zinc/26/16/46/352261646.db2.gz DOHMESVZSZMLOL-LLVKDONJSA-N 2 2 255.362 0.095 10 0 CCAELP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000245420633 352322187 /nfs/dbraw/zinc/32/21/87/352322187.db2.gz NASKXFWROHBFCH-KBPBESRZSA-N 2 2 298.431 0.443 10 0 CCAELP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000245420633 352322190 /nfs/dbraw/zinc/32/21/90/352322190.db2.gz NASKXFWROHBFCH-KBPBESRZSA-N 2 2 298.431 0.443 10 0 CCAELP CC[NH+]1CCC[C@H]1CN(C)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000245420633 352322192 /nfs/dbraw/zinc/32/21/92/352322192.db2.gz NASKXFWROHBFCH-KBPBESRZSA-N 2 2 298.431 0.443 10 0 CCAELP CC[NH+]1CCC[C@H]1CN(C)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000245420633 352322195 /nfs/dbraw/zinc/32/21/95/352322195.db2.gz NASKXFWROHBFCH-KBPBESRZSA-N 2 2 298.431 0.443 10 0 CCAELP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)CC1 ZINC000245543939 352328621 /nfs/dbraw/zinc/32/86/21/352328621.db2.gz TVRYHYHQWMZXSP-KBPBESRZSA-N 2 2 281.400 0.261 10 0 CCAELP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)CC1 ZINC000245543939 352328627 /nfs/dbraw/zinc/32/86/27/352328627.db2.gz TVRYHYHQWMZXSP-KBPBESRZSA-N 2 2 281.400 0.261 10 0 CCAELP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H]2C[NH+](C)CCO2)CC[N@@H+]1C ZINC000246574256 352373794 /nfs/dbraw/zinc/37/37/94/352373794.db2.gz ZMALIEAJUMBBPG-RDBSUJKOSA-N 2 2 298.431 0.441 10 0 CCAELP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H]2C[NH+](C)CCO2)CC[N@H+]1C ZINC000246574256 352373797 /nfs/dbraw/zinc/37/37/97/352373797.db2.gz ZMALIEAJUMBBPG-RDBSUJKOSA-N 2 2 298.431 0.441 10 0 CCAELP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H]2C[N@H+](C)CCO2)CC[NH+]1C ZINC000246574256 352373798 /nfs/dbraw/zinc/37/37/98/352373798.db2.gz ZMALIEAJUMBBPG-RDBSUJKOSA-N 2 2 298.431 0.441 10 0 CCAELP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H]2C[N@@H+](C)CCO2)CC[NH+]1C ZINC000246574256 352373801 /nfs/dbraw/zinc/37/38/01/352373801.db2.gz ZMALIEAJUMBBPG-RDBSUJKOSA-N 2 2 298.431 0.441 10 0 CCAELP CCNC(=O)C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000246269769 352359154 /nfs/dbraw/zinc/35/91/54/352359154.db2.gz MEWVHFFZPCGXLW-RYUDHWBXSA-N 2 2 250.346 0.902 10 0 CCAELP CCNC(=O)C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000246269769 352359157 /nfs/dbraw/zinc/35/91/57/352359157.db2.gz MEWVHFFZPCGXLW-RYUDHWBXSA-N 2 2 250.346 0.902 10 0 CCAELP C[C@H](CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)[NH+]1CCOCC1 ZINC000247471610 352415732 /nfs/dbraw/zinc/41/57/32/352415732.db2.gz HDEMWNBXQHDBAH-KGLIPLIRSA-N 2 2 296.415 0.197 10 0 CCAELP C[C@H](CNC(=O)N1CC[N@H+]2CCC[C@H]2C1)[NH+]1CCOCC1 ZINC000247471610 352415735 /nfs/dbraw/zinc/41/57/35/352415735.db2.gz HDEMWNBXQHDBAH-KGLIPLIRSA-N 2 2 296.415 0.197 10 0 CCAELP O=C(N[C@@H]1CCCC[NH2+]C1)N1CCn2cc[nH+]c2C1 ZINC000333709589 354780123 /nfs/dbraw/zinc/78/01/23/354780123.db2.gz SAMMYOWSQYLIID-LLVKDONJSA-N 2 2 263.345 0.550 10 0 CCAELP CO[C@H]1C[C@@H](C(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)[N@H+](C)C1 ZINC000329067652 202175279 /nfs/dbraw/zinc/17/52/79/202175279.db2.gz XDKBLQSEYYXVPO-SRVKXCTJSA-N 2 2 278.356 0.792 10 0 CCAELP CO[C@H]1C[C@@H](C(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)[N@@H+](C)C1 ZINC000329067652 202175282 /nfs/dbraw/zinc/17/52/82/202175282.db2.gz XDKBLQSEYYXVPO-SRVKXCTJSA-N 2 2 278.356 0.792 10 0 CCAELP O=C(NCC[N@H+]1CC=CCC1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000569602933 358778971 /nfs/dbraw/zinc/77/89/71/358778971.db2.gz SHCYDKMKZPXGQZ-SNVBAGLBSA-N 2 2 259.300 0.362 10 0 CCAELP O=C(NCC[N@@H+]1CC=CCC1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000569602933 358778974 /nfs/dbraw/zinc/77/89/74/358778974.db2.gz SHCYDKMKZPXGQZ-SNVBAGLBSA-N 2 2 259.300 0.362 10 0 CCAELP CC(C)Cn1ncnc1C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631837978 370703323 /nfs/dbraw/zinc/70/33/23/370703323.db2.gz YLLYXYRHIKKDBZ-RYUDHWBXSA-N 2 2 251.378 0.961 10 0 CCAELP CC(C)Cn1ncnc1C[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631837978 370703325 /nfs/dbraw/zinc/70/33/25/370703325.db2.gz YLLYXYRHIKKDBZ-RYUDHWBXSA-N 2 2 251.378 0.961 10 0 CCAELP [NH3+]CC[N@@H+]1CCCO[C@@H](c2ccc(CCO)cc2)C1 ZINC000616599380 365379028 /nfs/dbraw/zinc/37/90/28/365379028.db2.gz UHKPVPOZORJHHR-OAHLLOKOSA-N 2 2 264.369 0.944 10 0 CCAELP [NH3+]CC[N@H+]1CCCO[C@@H](c2ccc(CCO)cc2)C1 ZINC000616599380 365379031 /nfs/dbraw/zinc/37/90/31/365379031.db2.gz UHKPVPOZORJHHR-OAHLLOKOSA-N 2 2 264.369 0.944 10 0 CCAELP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCn2cc[nH+]c2)CC1 ZINC000161681080 296181823 /nfs/dbraw/zinc/18/18/23/296181823.db2.gz QFTSROUKHRRJOF-CQSZACIVSA-N 3 2 280.416 0.908 10 0 CCAELP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CCn2cc[nH+]c2)CC1 ZINC000161681080 296181825 /nfs/dbraw/zinc/18/18/25/296181825.db2.gz QFTSROUKHRRJOF-CQSZACIVSA-N 3 2 280.416 0.908 10 0 CCAELP O=C(N1CCn2cc[nH+]c2C1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634767368 372214655 /nfs/dbraw/zinc/21/46/55/372214655.db2.gz UFOLXZAALMNVFE-FZMZJTMJSA-N 2 2 260.341 0.615 10 0 CCAELP C[C@@H]1C[NH2+]CCN1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000333359886 205253311 /nfs/dbraw/zinc/25/33/11/205253311.db2.gz KXANJQPJVDRQMG-CHWSQXEVSA-N 2 2 289.383 0.664 10 0 CCAELP C[C@@H]1C[NH2+]CCN1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000333446171 205327000 /nfs/dbraw/zinc/32/70/00/205327000.db2.gz WWAJBKZXCNYJRX-LLVKDONJSA-N 2 2 273.340 0.838 10 0 CCAELP C[C@H](NC(=O)N[C@H]1CCCC[NH2+]C1)[C@H](C)[NH+]1CCOCC1 ZINC000333430900 205312905 /nfs/dbraw/zinc/31/29/05/205312905.db2.gz UNPFEBMOBJIAKF-IHRRRGAJSA-N 2 2 298.431 0.537 10 0 CCAELP C[C@H]1CN(S(=O)(=O)CCn2cc[nH+]c2)C[C@@H]1[NH+](C)C ZINC000641378399 377051990 /nfs/dbraw/zinc/05/19/90/377051990.db2.gz QYJDKJBNQKVSMK-RYUDHWBXSA-N 2 2 286.401 0.095 10 0 CCAELP CCC[C@H](C(=O)N1CC[N@H+](CCO)[C@@H](C)C1)[NH+](C)C ZINC000249839805 285140781 /nfs/dbraw/zinc/14/07/81/285140781.db2.gz FUXOWOWDGLABKU-QWHCGFSZSA-N 2 2 271.405 0.242 10 0 CCAELP CCC[C@H](C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1)[NH+](C)C ZINC000249839805 285140782 /nfs/dbraw/zinc/14/07/82/285140782.db2.gz FUXOWOWDGLABKU-QWHCGFSZSA-N 2 2 271.405 0.242 10 0 CCAELP CC1(C)C[N@H+](CC(=O)NCC2CCC2)CC[C@@H]1[NH3+] ZINC000261769463 285156543 /nfs/dbraw/zinc/15/65/43/285156543.db2.gz RZNCLBLIAHBEDM-LBPRGKRZSA-N 2 2 253.390 0.962 10 0 CCAELP CC1(C)C[N@@H+](CC(=O)NCC2CCC2)CC[C@@H]1[NH3+] ZINC000261769463 285156545 /nfs/dbraw/zinc/15/65/45/285156545.db2.gz RZNCLBLIAHBEDM-LBPRGKRZSA-N 2 2 253.390 0.962 10 0 CCAELP C[C@H](NC(=O)NC[C@@H]1CCC[N@@H+]1C)[C@H](C)[NH+]1CCOCC1 ZINC000105191680 389085856 /nfs/dbraw/zinc/08/58/56/389085856.db2.gz FVYNOYGQPQJTTK-IHRRRGAJSA-N 2 2 298.431 0.489 10 0 CCAELP C[C@H](NC(=O)NC[C@@H]1CCC[N@H+]1C)[C@H](C)[NH+]1CCOCC1 ZINC000105191680 389085860 /nfs/dbraw/zinc/08/58/60/389085860.db2.gz FVYNOYGQPQJTTK-IHRRRGAJSA-N 2 2 298.431 0.489 10 0 CCAELP [NH3+][C@@H]1CC[C@H]2C[N@H+](CN3C(=O)c4ccccc4C3=O)C[C@H]12 ZINC000307618907 389091592 /nfs/dbraw/zinc/09/15/92/389091592.db2.gz VHTRFDFWKJGUBY-LEWSCRJBSA-N 2 2 285.347 0.909 10 0 CCAELP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CN3C(=O)c4ccccc4C3=O)C[C@H]12 ZINC000307618907 389091595 /nfs/dbraw/zinc/09/15/95/389091595.db2.gz VHTRFDFWKJGUBY-LEWSCRJBSA-N 2 2 285.347 0.909 10 0 CCAELP CC[C@@H]1CN(CC[N@@H+]2CCO[C@@H](C)C2)CC[NH+]1C[C@@H](C)O ZINC000249023626 389251721 /nfs/dbraw/zinc/25/17/21/389251721.db2.gz KPDBDXCBCIOZLF-OWCLPIDISA-N 2 2 299.459 0.484 10 0 CCAELP CC[C@@H]1CN(CC[N@H+]2CCO[C@@H](C)C2)CC[NH+]1C[C@@H](C)O ZINC000249023626 389251723 /nfs/dbraw/zinc/25/17/23/389251723.db2.gz KPDBDXCBCIOZLF-OWCLPIDISA-N 2 2 299.459 0.484 10 0 CCAELP CC[C@@H]1CN(CC[NH+]2CCO[C@@H](C)C2)CC[N@@H+]1C[C@@H](C)O ZINC000249023626 389251724 /nfs/dbraw/zinc/25/17/24/389251724.db2.gz KPDBDXCBCIOZLF-OWCLPIDISA-N 2 2 299.459 0.484 10 0 CCAELP CC[C@@H]1CN(CC[NH+]2CCO[C@@H](C)C2)CC[N@H+]1C[C@@H](C)O ZINC000249023626 389251726 /nfs/dbraw/zinc/25/17/26/389251726.db2.gz KPDBDXCBCIOZLF-OWCLPIDISA-N 2 2 299.459 0.484 10 0 CCAELP CC[C@H](C(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1)[NH+](C)C ZINC000247078478 389235738 /nfs/dbraw/zinc/23/57/38/389235738.db2.gz QQIGDTZBSIYAGU-MCIONIFRSA-N 2 2 283.416 0.506 10 0 CCAELP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000263250205 389299031 /nfs/dbraw/zinc/29/90/31/389299031.db2.gz PUQAPLVNJNIHCV-FMKPAKJESA-N 2 2 295.427 0.827 10 0 CCAELP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H](C)C(=O)N1CCCCC1 ZINC000252955166 131140510 /nfs/dbraw/zinc/14/05/10/131140510.db2.gz IHNFESDYOYEVQQ-MCIONIFRSA-N 2 2 283.416 0.744 10 0 CCAELP O=C(NCCCn1cc[nH+]c1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000368650931 144237703 /nfs/dbraw/zinc/23/77/03/144237703.db2.gz RHQNFYLPCJAGKT-SECBINFHSA-N 2 2 258.272 0.387 10 0 CCAELP Cc1cc(C(C)C)nc(N2CC[N@H+](C)C[C@@H]2C[NH3+])n1 ZINC000122596781 411707779 /nfs/dbraw/zinc/70/77/79/411707779.db2.gz OHFBODNYSVUPHV-LBPRGKRZSA-N 2 2 263.389 0.988 10 0 CCAELP Cc1cc(C(C)C)nc(N2CC[N@@H+](C)C[C@@H]2C[NH3+])n1 ZINC000122596781 411707781 /nfs/dbraw/zinc/70/77/81/411707781.db2.gz OHFBODNYSVUPHV-LBPRGKRZSA-N 2 2 263.389 0.988 10 0 CCAELP CC[N@H+](CCO)[C@H](C[NH3+])c1ccc2c(c1)OCCO2 ZINC000020226373 171091784 /nfs/dbraw/zinc/09/17/84/171091784.db2.gz AYMZMLRBNSVNPQ-GFCCVEGCSA-N 2 2 266.341 0.772 10 0 CCAELP CC[N@@H+](CCO)[C@H](C[NH3+])c1ccc2c(c1)OCCO2 ZINC000020226373 171091786 /nfs/dbraw/zinc/09/17/86/171091786.db2.gz AYMZMLRBNSVNPQ-GFCCVEGCSA-N 2 2 266.341 0.772 10 0 CCAELP CC(C)CNC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000038042824 174047935 /nfs/dbraw/zinc/04/79/35/174047935.db2.gz SWSRRKDETCEBGB-ZDUSSCGKSA-N 2 2 253.390 0.975 10 0 CCAELP CC(C)CNC(=O)[C@@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000038042824 174047937 /nfs/dbraw/zinc/04/79/37/174047937.db2.gz SWSRRKDETCEBGB-ZDUSSCGKSA-N 2 2 253.390 0.975 10 0 CCAELP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC000038083328 174092750 /nfs/dbraw/zinc/09/27/50/174092750.db2.gz XKGHREMCAPGLPT-NDBYEHHHSA-N 2 2 274.430 0.739 10 0 CCAELP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC000038083328 174092751 /nfs/dbraw/zinc/09/27/51/174092751.db2.gz XKGHREMCAPGLPT-NDBYEHHHSA-N 2 2 274.430 0.739 10 0 CCAELP CNc1[nH+]cnc(NCC[NH+]2CCCCC2)c1N ZINC000040706897 174379351 /nfs/dbraw/zinc/37/93/51/174379351.db2.gz RFZWZDZSDALMCA-UHFFFAOYSA-N 2 2 250.350 0.998 10 0 CCAELP CC[C@@H](C)NC(=O)[C@H](C)[N@H+](CCC[NH3+])CCOC ZINC000071224820 176089044 /nfs/dbraw/zinc/08/90/44/176089044.db2.gz OSNHMITVXOQEIU-NEPJUHHUSA-N 2 2 259.394 0.587 10 0 CCAELP CC[C@@H](C)NC(=O)[C@H](C)[N@@H+](CCC[NH3+])CCOC ZINC000071224820 176089046 /nfs/dbraw/zinc/08/90/46/176089046.db2.gz OSNHMITVXOQEIU-NEPJUHHUSA-N 2 2 259.394 0.587 10 0 CCAELP Cc1[nH+]ccn1CC[N@@H+](C)Cc1cc2n(n1)CC[NH2+]C2 ZINC000072149335 176326842 /nfs/dbraw/zinc/32/68/42/176326842.db2.gz VYTFDFIUPXDLFK-UHFFFAOYSA-N 3 2 274.372 0.623 10 0 CCAELP Cc1[nH+]ccn1CC[N@H+](C)Cc1cc2n(n1)CC[NH2+]C2 ZINC000072149335 176326844 /nfs/dbraw/zinc/32/68/44/176326844.db2.gz VYTFDFIUPXDLFK-UHFFFAOYSA-N 3 2 274.372 0.623 10 0 CCAELP Cc1[nH+]ccn1CCN(C)Cc1cc2n(n1)CC[NH2+]C2 ZINC000072149335 176326846 /nfs/dbraw/zinc/32/68/46/176326846.db2.gz VYTFDFIUPXDLFK-UHFFFAOYSA-N 2 2 274.372 0.623 10 0 CCAELP O=C(C[C@H]1CCC[NH2+]C1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000062976839 544447511 /nfs/dbraw/zinc/44/75/11/544447511.db2.gz RBTCMDMRFXFXQI-ZIAGYGMSSA-N 2 2 281.400 0.309 10 0 CCAELP CC(C)(CNC(=O)[C@H]1CCC[C@H]1C[NH3+])[NH+]1CCOCC1 ZINC000089459360 544514453 /nfs/dbraw/zinc/51/44/53/544514453.db2.gz SEWYUGAJVZZPAA-STQMWFEESA-N 2 2 283.416 0.588 10 0 CCAELP C[N@@H+]1CCN(c2ncnc3c2CCCC3)[C@@H](C[NH3+])C1 ZINC000226623179 544831973 /nfs/dbraw/zinc/83/19/73/544831973.db2.gz ZKXQCUFMNONGOA-NSHDSACASA-N 2 2 261.373 0.435 10 0 CCAELP C[N@H+]1CCN(c2ncnc3c2CCCC3)[C@@H](C[NH3+])C1 ZINC000226623179 544831976 /nfs/dbraw/zinc/83/19/76/544831976.db2.gz ZKXQCUFMNONGOA-NSHDSACASA-N 2 2 261.373 0.435 10 0 CCAELP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(Br)cn1 ZINC000262129401 544940599 /nfs/dbraw/zinc/94/05/99/544940599.db2.gz NQEXQUZOXLPLCR-LDYMZIIASA-N 2 2 286.173 0.514 10 0 CCAELP C[C@H](CNC(=O)N[C@H]1CCCC[NH2+]C1)[NH+]1CCOCC1 ZINC000333899472 545044260 /nfs/dbraw/zinc/04/42/60/545044260.db2.gz BICNXEKZKLSGBI-OLZOCXBDSA-N 2 2 284.404 0.148 10 0 CCAELP C[C@@H]1C[N@H+](CCN2CCC[NH+](C3CC3)CC2)CCO1 ZINC000192727729 288169418 /nfs/dbraw/zinc/16/94/18/288169418.db2.gz RXKCHEVPQPVWFX-CQSZACIVSA-N 2 2 267.417 0.877 10 0 CCAELP C[C@@H]1C[N@@H+](CCN2CCC[NH+](C3CC3)CC2)CCO1 ZINC000192727729 288169421 /nfs/dbraw/zinc/16/94/21/288169421.db2.gz RXKCHEVPQPVWFX-CQSZACIVSA-N 2 2 267.417 0.877 10 0 CCAELP C[C@@H]1C[NH+](CCN2CCC[N@@H+](C3CC3)CC2)CCO1 ZINC000192727729 288169424 /nfs/dbraw/zinc/16/94/24/288169424.db2.gz RXKCHEVPQPVWFX-CQSZACIVSA-N 2 2 267.417 0.877 10 0 CCAELP C[C@@H]1C[NH+](CCN2CCC[N@H+](C3CC3)CC2)CCO1 ZINC000192727729 288169426 /nfs/dbraw/zinc/16/94/26/288169426.db2.gz RXKCHEVPQPVWFX-CQSZACIVSA-N 2 2 267.417 0.877 10 0 CCAELP O=C([C@@H]1CC[NH2+]CC1(F)F)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000335120226 280095415 /nfs/dbraw/zinc/09/54/15/280095415.db2.gz VJQPSDGOVKDGEM-NEPJUHHUSA-N 2 2 287.354 0.928 10 0 CCAELP O=C([C@@H]1CC[NH2+]CC1(F)F)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000335120226 280095417 /nfs/dbraw/zinc/09/54/17/280095417.db2.gz VJQPSDGOVKDGEM-NEPJUHHUSA-N 2 2 287.354 0.928 10 0 CCAELP CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000104798013 280099681 /nfs/dbraw/zinc/09/96/81/280099681.db2.gz IHCBYDRFKIRPRB-CHWSQXEVSA-N 2 2 286.420 0.347 10 0 CCAELP CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000104798013 280099685 /nfs/dbraw/zinc/09/96/85/280099685.db2.gz IHCBYDRFKIRPRB-CHWSQXEVSA-N 2 2 286.420 0.347 10 0 CCAELP CC[C@@H](C)[NH+](C)CCNC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000104798013 280099687 /nfs/dbraw/zinc/09/96/87/280099687.db2.gz IHCBYDRFKIRPRB-CHWSQXEVSA-N 2 2 286.420 0.347 10 0 CCAELP CC[C@@H](C)[NH+](C)CCNC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000104798013 280099691 /nfs/dbraw/zinc/09/96/91/280099691.db2.gz IHCBYDRFKIRPRB-CHWSQXEVSA-N 2 2 286.420 0.347 10 0 CCAELP CC(C)C[NH2+]C[C@H]1CC[C@@H](C[NH+]2CCS(=O)CC2)O1 ZINC000052516485 519746537 /nfs/dbraw/zinc/74/65/37/519746537.db2.gz GXWMBNGOCVIMGF-KGLIPLIRSA-N 2 2 288.457 0.844 10 0 CCAELP CCOC(=O)[C@H](CN1CC[NH+]([C@@H](C)CC)CC1)[NH2+]C ZINC000055070469 521249704 /nfs/dbraw/zinc/24/97/04/521249704.db2.gz QXNFHZYVGBKREO-STQMWFEESA-N 2 2 271.405 0.554 10 0 CCAELP O=C([C@H]1COCC[NH2+]1)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000361729345 534641153 /nfs/dbraw/zinc/64/11/53/534641153.db2.gz RKKPSUZMRRGENA-ZIAGYGMSSA-N 2 2 281.400 0.452 10 0 CCAELP Cn1cc(Br)c(CC2=C[C@@H]([NH3+])C[NH2+]C2)n1 ZINC000675079036 545321194 /nfs/dbraw/zinc/32/11/94/545321194.db2.gz VEPXTCHAXSBVLF-MRVPVSSYSA-N 2 2 271.162 0.582 10 0 CCAELP COc1ccc2nc(C[NH2+]C[C@H]3C[NH2+]C[C@H]3O)sc2c1 ZINC000263212650 537053653 /nfs/dbraw/zinc/05/36/53/537053653.db2.gz KKWNXCHHHGYESO-BXKDBHETSA-N 2 2 293.392 0.975 10 0 CCAELP O=S(=O)([C@H]1CCC[NH2+]C1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000250825738 649792093 /nfs/dbraw/zinc/79/20/93/649792093.db2.gz HMGVRNVWHQFJJC-STQMWFEESA-N 2 2 287.429 0.238 10 0 CCAELP O=S(=O)([C@H]1CCC[NH2+]C1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000250825738 649792097 /nfs/dbraw/zinc/79/20/97/649792097.db2.gz HMGVRNVWHQFJJC-STQMWFEESA-N 2 2 287.429 0.238 10 0 CCAELP [NH3+][C@@H]1CC[C@H](C(=O)N2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000091543699 349466724 /nfs/dbraw/zinc/46/67/24/349466724.db2.gz XTYIKLPVRBNZQN-LSDHHAIUSA-N 2 2 288.395 0.853 10 0 CCAELP [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000261674663 137015205 /nfs/dbraw/zinc/01/52/05/137015205.db2.gz GGKWUTVSMZZJNX-QLFBSQMISA-N 2 2 295.427 0.685 10 0 CCAELP C[C@H](C(=O)N1CCC2(CC[NH2+]C2)CC1)[NH+]1CCOCC1 ZINC000261717841 137016905 /nfs/dbraw/zinc/01/69/05/137016905.db2.gz GSUUAIVYJYEREI-CYBMUJFWSA-N 2 2 281.400 0.309 10 0 CCAELP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC000263196449 137060036 /nfs/dbraw/zinc/06/00/36/137060036.db2.gz ILUWGVNSXSCFAZ-YPMHNXCESA-N 2 2 282.771 0.945 10 0 CCAELP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2COCC[NH2+]2)C1 ZINC000263235710 137061236 /nfs/dbraw/zinc/06/12/36/137061236.db2.gz DOGQRTKXXWVNJN-CHWSQXEVSA-N 2 2 283.416 0.602 10 0 CCAELP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2COCC[NH2+]2)C1 ZINC000263235710 137061237 /nfs/dbraw/zinc/06/12/37/137061237.db2.gz DOGQRTKXXWVNJN-CHWSQXEVSA-N 2 2 283.416 0.602 10 0 CCAELP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](C2=[NH+]CCN2)C1 ZINC000058614576 348629848 /nfs/dbraw/zinc/62/98/48/348629848.db2.gz GTWKOXWYJJMQTR-CQSZACIVSA-N 2 2 258.369 0.804 10 0 CCAELP C[N@H+]1CCN(Cc2ccccc2)[C@@H](C2=[NH+]CCN2)C1 ZINC000058614576 348629849 /nfs/dbraw/zinc/62/98/49/348629849.db2.gz GTWKOXWYJJMQTR-CQSZACIVSA-N 2 2 258.369 0.804 10 0 CCAELP CN(Cc1[nH+]ccn1C)C(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000125196316 350116658 /nfs/dbraw/zinc/11/66/58/350116658.db2.gz NPUXEOKJXYHNBF-UHFFFAOYSA-N 2 2 279.388 0.062 10 0 CCAELP CC1CC[NH+](CCNC(=O)NC[C@H]2C[N@H+](C)CCO2)CC1 ZINC000104788519 186023594 /nfs/dbraw/zinc/02/35/94/186023594.db2.gz YTYCRYHZWYRTGT-AWEZNQCLSA-N 2 2 298.431 0.348 10 0 CCAELP CC1CC[NH+](CCNC(=O)NC[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000104788519 186023596 /nfs/dbraw/zinc/02/35/96/186023596.db2.gz YTYCRYHZWYRTGT-AWEZNQCLSA-N 2 2 298.431 0.348 10 0 CCAELP C[NH+](C)[C@H]1CCCN(C(=O)NC[C@@H]2C[N@H+](C)CCO2)C1 ZINC000105279152 186048086 /nfs/dbraw/zinc/04/80/86/186048086.db2.gz CIZNEFNOYRUANM-QWHCGFSZSA-N 2 2 284.404 0.053 10 0 CCAELP C[NH+](C)[C@H]1CCCN(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000105279152 186048088 /nfs/dbraw/zinc/04/80/88/186048088.db2.gz CIZNEFNOYRUANM-QWHCGFSZSA-N 2 2 284.404 0.053 10 0 CCAELP CCNC(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000151099807 350492977 /nfs/dbraw/zinc/49/29/77/350492977.db2.gz CQZVPKAGIVTPAC-GFCCVEGCSA-N 2 2 262.357 0.952 10 0 CCAELP CCNC(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000151099807 350492980 /nfs/dbraw/zinc/49/29/80/350492980.db2.gz CQZVPKAGIVTPAC-GFCCVEGCSA-N 2 2 262.357 0.952 10 0 CCAELP CC[C@@H](C(=O)N1CC[N@H+](CCOC)[C@H](C)C1)[NH+](C)C ZINC000152473938 350529409 /nfs/dbraw/zinc/52/94/09/350529409.db2.gz BARLRNOEKWWEHZ-OLZOCXBDSA-N 2 2 271.405 0.506 10 0 CCAELP CC[C@@H](C(=O)N1CC[N@@H+](CCOC)[C@H](C)C1)[NH+](C)C ZINC000152473938 350529411 /nfs/dbraw/zinc/52/94/11/350529411.db2.gz BARLRNOEKWWEHZ-OLZOCXBDSA-N 2 2 271.405 0.506 10 0 CCAELP CCC[C@H](C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1)[NH+](C)C ZINC000152779898 350541557 /nfs/dbraw/zinc/54/15/57/350541557.db2.gz OLGFCKYJZYLDHW-BFHYXJOUSA-N 2 2 285.432 0.942 10 0 CCAELP COC[C@@H]([NH3+])C(=O)Nc1cccnc1-n1cc[nH+]c1C ZINC000159264991 350673405 /nfs/dbraw/zinc/67/34/05/350673405.db2.gz XIBIQMHTHXVABV-SNVBAGLBSA-N 2 2 275.312 0.488 10 0 CCAELP CC[C@H]1CN(Cc2[nH]cc[nH+]2)CC[N@@H+]1CCOC ZINC000111228146 186372386 /nfs/dbraw/zinc/37/23/86/186372386.db2.gz SMQGZZIJKWIOFD-LBPRGKRZSA-N 2 2 252.362 0.952 10 0 CCAELP CC[C@H]1CN(Cc2[nH]cc[nH+]2)CC[N@H+]1CCOC ZINC000111228146 186372387 /nfs/dbraw/zinc/37/23/87/186372387.db2.gz SMQGZZIJKWIOFD-LBPRGKRZSA-N 2 2 252.362 0.952 10 0 CCAELP C[C@H](C[NH+]1CCOCC1)N1CCC[N@@H+](C2CC2)CC1 ZINC000180593995 351289935 /nfs/dbraw/zinc/28/99/35/351289935.db2.gz OLLSLMONJIEMIU-CQSZACIVSA-N 2 2 267.417 0.877 10 0 CCAELP C[C@H](C[NH+]1CCOCC1)N1CCC[N@H+](C2CC2)CC1 ZINC000180593995 351289938 /nfs/dbraw/zinc/28/99/38/351289938.db2.gz OLLSLMONJIEMIU-CQSZACIVSA-N 2 2 267.417 0.877 10 0 CCAELP CN(CC[N@H+](C)C1CC1)C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000185351700 351442986 /nfs/dbraw/zinc/44/29/86/351442986.db2.gz XDYLUJLEIOKWNQ-CYBMUJFWSA-N 2 2 284.404 0.053 10 0 CCAELP CN(CC[N@@H+](C)C1CC1)C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000185351700 351442990 /nfs/dbraw/zinc/44/29/90/351442990.db2.gz XDYLUJLEIOKWNQ-CYBMUJFWSA-N 2 2 284.404 0.053 10 0 CCAELP CN(CC[NH+](C)C1CC1)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000185351700 351442992 /nfs/dbraw/zinc/44/29/92/351442992.db2.gz XDYLUJLEIOKWNQ-CYBMUJFWSA-N 2 2 284.404 0.053 10 0 CCAELP CN(CC[NH+](C)C1CC1)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000185351700 351442997 /nfs/dbraw/zinc/44/29/97/351442997.db2.gz XDYLUJLEIOKWNQ-CYBMUJFWSA-N 2 2 284.404 0.053 10 0 CCAELP C[C@@H]1OCCC[C@@H]1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000188937160 351640623 /nfs/dbraw/zinc/64/06/23/351640623.db2.gz QSOCUAJCELYEJL-ZFWWWQNUSA-N 2 2 297.443 0.944 10 0 CCAELP CCC(CC)[C@H](CNC(=O)[C@H]1COCC[NH2+]1)[NH+]1CCCC1 ZINC000236692267 352206282 /nfs/dbraw/zinc/20/62/82/352206282.db2.gz DCJXQQLLJBBPSA-CABCVRRESA-N 2 2 297.443 0.992 10 0 CCAELP CCOCCNC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245557031 352328929 /nfs/dbraw/zinc/32/89/29/352328929.db2.gz AQXONOKRWBVJMQ-KGLIPLIRSA-N 2 2 294.399 0.919 10 0 CCAELP CCOCCNC(=O)C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245557031 352328933 /nfs/dbraw/zinc/32/89/33/352328933.db2.gz AQXONOKRWBVJMQ-KGLIPLIRSA-N 2 2 294.399 0.919 10 0 CCAELP C[N@@H+]1CCO[C@H](CNC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000246514687 352370873 /nfs/dbraw/zinc/37/08/73/352370873.db2.gz VCXMDVCCLYZIIB-ZIAGYGMSSA-N 2 2 296.415 0.197 10 0 CCAELP C[N@H+]1CCO[C@H](CNC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000246514687 352370877 /nfs/dbraw/zinc/37/08/77/352370877.db2.gz VCXMDVCCLYZIIB-ZIAGYGMSSA-N 2 2 296.415 0.197 10 0 CCAELP [NH3+]CC1(O)CC[NH+](CN2C(=O)c3ccccc3C2=O)CC1 ZINC000306832813 354177584 /nfs/dbraw/zinc/17/75/84/354177584.db2.gz MZGSKUNDGVMJBQ-UHFFFAOYSA-N 2 2 289.335 0.026 10 0 CCAELP Cc1nc(NC[C@@H]2C[NH2+]CCO2)c2c([nH+]1)CCCC2 ZINC000333676578 354775293 /nfs/dbraw/zinc/77/52/93/354775293.db2.gz OBCPBTJGESQCSJ-NSHDSACASA-N 2 2 262.357 0.486 10 0 CCAELP CO[C@H]1C[C@@H](C(=O)N2CCC(n3cc[nH+]c3)CC2)[N@H+](C)C1 ZINC000408036906 357878898 /nfs/dbraw/zinc/87/88/98/357878898.db2.gz YECLPKNFNJLBTB-KBPBESRZSA-N 2 2 292.383 0.766 10 0 CCAELP CO[C@H]1C[C@@H](C(=O)N2CCC(n3cc[nH+]c3)CC2)[N@@H+](C)C1 ZINC000408036906 357878901 /nfs/dbraw/zinc/87/89/01/357878901.db2.gz YECLPKNFNJLBTB-KBPBESRZSA-N 2 2 292.383 0.766 10 0 CCAELP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)C1 ZINC000177774046 189068818 /nfs/dbraw/zinc/06/88/18/189068818.db2.gz UQKCTLOXZLSNFA-OLZOCXBDSA-N 2 2 278.356 0.205 10 0 CCAELP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)C1 ZINC000177774046 189068819 /nfs/dbraw/zinc/06/88/19/189068819.db2.gz UQKCTLOXZLSNFA-OLZOCXBDSA-N 2 2 278.356 0.205 10 0 CCAELP [NH3+]CC[N@@H+]1CCOC[C@H](c2ccc(CCO)cc2)C1 ZINC000616662589 365415552 /nfs/dbraw/zinc/41/55/52/365415552.db2.gz CSSNQOFLCRSERL-OAHLLOKOSA-N 2 2 264.369 0.596 10 0 CCAELP [NH3+]CC[N@H+]1CCOC[C@H](c2ccc(CCO)cc2)C1 ZINC000616662589 365415556 /nfs/dbraw/zinc/41/55/56/365415556.db2.gz CSSNQOFLCRSERL-OAHLLOKOSA-N 2 2 264.369 0.596 10 0 CCAELP [NH3+]CC[N@@H+]1CCCOC[C@@H]1c1cccc(CCO)c1 ZINC000616597328 365379399 /nfs/dbraw/zinc/37/93/99/365379399.db2.gz PEYPSJYJVSVJQN-OAHLLOKOSA-N 2 2 264.369 0.944 10 0 CCAELP [NH3+]CC[N@H+]1CCCOC[C@@H]1c1cccc(CCO)c1 ZINC000616597328 365379404 /nfs/dbraw/zinc/37/94/04/365379404.db2.gz PEYPSJYJVSVJQN-OAHLLOKOSA-N 2 2 264.369 0.944 10 0 CCAELP CO[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)[C@@](C)(C[NH3+])C1 ZINC000630365643 370066495 /nfs/dbraw/zinc/06/64/95/370066495.db2.gz RUXYZCNUBWLNFO-HZSPNIEDSA-N 2 2 272.389 0.620 10 0 CCAELP CO[C@@H]1C[N@@H+](CCOC[C@H]2CCCO2)[C@@](C)(C[NH3+])C1 ZINC000630365643 370066498 /nfs/dbraw/zinc/06/64/98/370066498.db2.gz RUXYZCNUBWLNFO-HZSPNIEDSA-N 2 2 272.389 0.620 10 0 CCAELP CO[C@@H]1C[N@H+](CCn2cc(C)cn2)[C@@](C)(C[NH3+])C1 ZINC000630365488 370066882 /nfs/dbraw/zinc/06/68/82/370066882.db2.gz IKMXAZNBDXICCB-QWHCGFSZSA-N 2 2 252.362 0.630 10 0 CCAELP CO[C@@H]1C[N@@H+](CCn2cc(C)cn2)[C@@](C)(C[NH3+])C1 ZINC000630365488 370066889 /nfs/dbraw/zinc/06/68/89/370066889.db2.gz IKMXAZNBDXICCB-QWHCGFSZSA-N 2 2 252.362 0.630 10 0 CCAELP CCOC(=O)[C@@H](C)[NH2+]CCCC[C@H]([NH3+])C(=O)OC ZINC000065740841 184569085 /nfs/dbraw/zinc/56/90/85/184569085.db2.gz WJTUJLFAVAPQNV-ZJUUUORDSA-N 2 2 260.334 0.198 10 0 in-vitro CCAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCS[C@@H](C)C2)CC1 ZINC000246189519 285008769 /nfs/dbraw/zinc/00/87/69/285008769.db2.gz WDWWBALADAGTIP-QWHCGFSZSA-N 2 2 285.457 0.976 10 0 CCAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCS[C@@H](C)C2)CC1 ZINC000246189519 285008772 /nfs/dbraw/zinc/00/87/72/285008772.db2.gz WDWWBALADAGTIP-QWHCGFSZSA-N 2 2 285.457 0.976 10 0 CCAELP [NH3+][C@@H]1CCC[C@H](C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000062976719 388940562 /nfs/dbraw/zinc/94/05/62/388940562.db2.gz KDNKILZZDYTIKA-MJBXVCDLSA-N 2 2 281.400 0.437 10 0 CCAELP O=C(N[C@@H]1C[C@H]2C[NH2+][C@@H]1C2)c1cc2[nH+]ccn2cn1 ZINC000168966155 389452750 /nfs/dbraw/zinc/45/27/50/389452750.db2.gz CTTRNNAFSGWWIK-IVZWLZJFSA-N 2 2 257.297 0.210 10 0 CCAELP CC[C@H]1CN(Cc2c[nH+]cn2C)CC[N@@H+]1C[C@@H](C)O ZINC000177054141 389570670 /nfs/dbraw/zinc/57/06/70/389570670.db2.gz BWVDSVCSURPASY-OLZOCXBDSA-N 2 2 266.389 0.697 10 0 CCAELP CC[C@H]1CN(Cc2c[nH+]cn2C)CC[N@H+]1C[C@@H](C)O ZINC000177054141 389570677 /nfs/dbraw/zinc/57/06/77/389570677.db2.gz BWVDSVCSURPASY-OLZOCXBDSA-N 2 2 266.389 0.697 10 0 CCAELP COCC[N@H+](C)C[C@H](O)C[NH+]1CCO[C@@H]2CCCC[C@H]21 ZINC000380561013 389764222 /nfs/dbraw/zinc/76/42/22/389764222.db2.gz RKNBAULIMGYMHK-RRFJBIMHSA-N 2 2 286.416 0.569 10 0 CCAELP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCO[C@@H]2CCCC[C@H]21 ZINC000380561013 389764225 /nfs/dbraw/zinc/76/42/25/389764225.db2.gz RKNBAULIMGYMHK-RRFJBIMHSA-N 2 2 286.416 0.569 10 0 CCAELP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000380561013 389764227 /nfs/dbraw/zinc/76/42/27/389764227.db2.gz RKNBAULIMGYMHK-RRFJBIMHSA-N 2 2 286.416 0.569 10 0 CCAELP COCC[NH+](C)C[C@H](O)C[N@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000380561013 389764230 /nfs/dbraw/zinc/76/42/30/389764230.db2.gz RKNBAULIMGYMHK-RRFJBIMHSA-N 2 2 286.416 0.569 10 0 CCAELP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1CCCO ZINC000388888159 389770758 /nfs/dbraw/zinc/77/07/58/389770758.db2.gz SQKLFXVTKFPQNO-UONOGXRCSA-N 2 2 274.405 0.162 10 0 CCAELP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1CCCO ZINC000388888159 389770759 /nfs/dbraw/zinc/77/07/59/389770759.db2.gz SQKLFXVTKFPQNO-UONOGXRCSA-N 2 2 274.405 0.162 10 0 CCAELP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]1CCCO ZINC000388888159 389770760 /nfs/dbraw/zinc/77/07/60/389770760.db2.gz SQKLFXVTKFPQNO-UONOGXRCSA-N 2 2 274.405 0.162 10 0 CCAELP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]1CCCO ZINC000388888159 389770761 /nfs/dbraw/zinc/77/07/61/389770761.db2.gz SQKLFXVTKFPQNO-UONOGXRCSA-N 2 2 274.405 0.162 10 0 CCAELP CC(=O)N[C@@H]1CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000183162759 389727021 /nfs/dbraw/zinc/72/70/21/389727021.db2.gz CNGWCHZUYBOHTJ-CYBMUJFWSA-N 2 2 250.346 0.874 10 0 CCAELP CC(=O)N[C@@H]1CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000183162759 389727022 /nfs/dbraw/zinc/72/70/22/389727022.db2.gz CNGWCHZUYBOHTJ-CYBMUJFWSA-N 2 2 250.346 0.874 10 0 CCAELP CN(C)c1[nH+]cc(C[NH2+][C@H]2CCCN(CCO)C2)n1C ZINC000384485954 397496739 /nfs/dbraw/zinc/49/67/39/397496739.db2.gz IKAVQCJKRAZLCE-LBPRGKRZSA-N 2 2 281.404 0.032 10 0 CCAELP CC[C@@H]1COCCN1C(=O)[C@@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000038043257 287234276 /nfs/dbraw/zinc/23/42/76/287234276.db2.gz LJWALDOCRVXKIS-HIFRSBDPSA-N 2 2 295.427 0.840 10 0 CCAELP CC[C@@H]1COCCN1C(=O)[C@@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000038043257 287234277 /nfs/dbraw/zinc/23/42/77/287234277.db2.gz LJWALDOCRVXKIS-HIFRSBDPSA-N 2 2 295.427 0.840 10 0 CCAELP C[N@@H+]1CCO[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)C[C@H]21 ZINC000284384247 196043625 /nfs/dbraw/zinc/04/36/25/196043625.db2.gz GGSFQHZZCNXLTI-CHWSQXEVSA-N 2 2 278.356 0.205 10 0 CCAELP C[N@H+]1CCO[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)C[C@H]21 ZINC000284384247 196043627 /nfs/dbraw/zinc/04/36/27/196043627.db2.gz GGSFQHZZCNXLTI-CHWSQXEVSA-N 2 2 278.356 0.205 10 0 CCAELP CC[N@H+](CCO)[C@@H](C[NH3+])c1ccc2c(c1)OCO2 ZINC000020226404 171091879 /nfs/dbraw/zinc/09/18/79/171091879.db2.gz MNAOHJMYFAXYRS-NSHDSACASA-N 2 2 252.314 0.729 10 0 CCAELP CC[N@@H+](CCO)[C@@H](C[NH3+])c1ccc2c(c1)OCO2 ZINC000020226404 171091880 /nfs/dbraw/zinc/09/18/80/171091880.db2.gz MNAOHJMYFAXYRS-NSHDSACASA-N 2 2 252.314 0.729 10 0 CCAELP C[C@H](O)C[NH2+]CC[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000020876138 171277731 /nfs/dbraw/zinc/27/77/31/171277731.db2.gz WKRCDGCNUFSRIQ-NSHDSACASA-N 2 2 266.341 0.518 10 0 CCAELP O=C([C@@H]1C[NH2+]C[C@H]1C(F)(F)F)N1CCn2cc[nH+]c2C1 ZINC000653115719 412225625 /nfs/dbraw/zinc/22/56/25/412225625.db2.gz YGXOMVYGVCWAKR-RKDXNWHRSA-N 2 2 288.273 0.623 10 0 CCAELP C[C@@H](C[NH2+][C@H]1CCS(=O)(=O)C1)C[NH+]1CCCCC1 ZINC000038042082 174044201 /nfs/dbraw/zinc/04/42/01/174044201.db2.gz WKJICICQQMQZSB-STQMWFEESA-N 2 2 274.430 0.885 10 0 CCAELP O=C(Nc1cnccn1)[C@@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000038043261 174050210 /nfs/dbraw/zinc/05/02/10/174050210.db2.gz VPACMQYCIFDLJR-LBPRGKRZSA-N 2 2 275.356 0.632 10 0 CCAELP O=C(Nc1cnccn1)[C@@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000038043261 174050211 /nfs/dbraw/zinc/05/02/11/174050211.db2.gz VPACMQYCIFDLJR-LBPRGKRZSA-N 2 2 275.356 0.632 10 0 CCAELP COCCCNc1nc[nH+]c(NN2CC[NH+](C)CC2)c1N ZINC000040756828 174396035 /nfs/dbraw/zinc/39/60/35/174396035.db2.gz KJXFZHOQJQBIAP-UHFFFAOYSA-N 2 2 295.391 0.082 10 0 CCAELP CCOC(=O)[C@@H]1CCC[N@@H+]([C@@H]2COC[C@@H]2C[NH+](C)C)C1 ZINC000725273846 545889161 /nfs/dbraw/zinc/88/91/61/545889161.db2.gz NBZDUCDJTHPBKE-HZSPNIEDSA-N 2 2 284.400 0.838 10 0 CCAELP CCOC(=O)[C@@H]1CCC[N@H+]([C@@H]2COC[C@@H]2C[NH+](C)C)C1 ZINC000725273846 545889166 /nfs/dbraw/zinc/88/91/66/545889166.db2.gz NBZDUCDJTHPBKE-HZSPNIEDSA-N 2 2 284.400 0.838 10 0 CCAELP CCOc1cc(N2CC[N@H+](C)C[C@@H]2C[NH3+])nc(C)n1 ZINC000122785367 544582387 /nfs/dbraw/zinc/58/23/87/544582387.db2.gz XKCHNKBWKDREJW-NSHDSACASA-N 2 2 265.361 0.263 10 0 CCAELP CCOc1cc(N2CC[N@@H+](C)C[C@@H]2C[NH3+])nc(C)n1 ZINC000122785367 544582396 /nfs/dbraw/zinc/58/23/96/544582396.db2.gz XKCHNKBWKDREJW-NSHDSACASA-N 2 2 265.361 0.263 10 0 CCAELP CC(C)[C@H]([NH3+])CC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000136460546 544638863 /nfs/dbraw/zinc/63/88/63/544638863.db2.gz AWCQUGDNKCDNDF-CHWSQXEVSA-N 2 2 269.389 0.293 10 0 CCAELP CC[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[N@@H+]1CCOC ZINC000193292983 544804107 /nfs/dbraw/zinc/80/41/07/544804107.db2.gz DKNUJBIVFUWNED-CQSZACIVSA-N 2 2 294.399 0.912 10 0 CCAELP CC[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[N@H+]1CCOC ZINC000193292983 544804113 /nfs/dbraw/zinc/80/41/13/544804113.db2.gz DKNUJBIVFUWNED-CQSZACIVSA-N 2 2 294.399 0.912 10 0 CCAELP CC[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[N@@H+]1CCOC ZINC000193292983 544804116 /nfs/dbraw/zinc/80/41/16/544804116.db2.gz DKNUJBIVFUWNED-CQSZACIVSA-N 2 2 294.399 0.912 10 0 CCAELP CC[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[N@H+]1CCOC ZINC000193292983 544804122 /nfs/dbraw/zinc/80/41/22/544804122.db2.gz DKNUJBIVFUWNED-CQSZACIVSA-N 2 2 294.399 0.912 10 0 CCAELP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1nccn1CC(F)(F)F ZINC000262105550 544941276 /nfs/dbraw/zinc/94/12/76/544941276.db2.gz JLPSUQBRSXYPOJ-DTWKUNHWSA-N 2 2 278.278 0.115 10 0 CCAELP O[C@@H]1C[NH2+]C[C@H]1CNCc1[nH+]ccn1CC(F)(F)F ZINC000262105550 544941281 /nfs/dbraw/zinc/94/12/81/544941281.db2.gz JLPSUQBRSXYPOJ-DTWKUNHWSA-N 2 2 278.278 0.115 10 0 CCAELP CCS(=O)(=O)CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261897952 276503519 /nfs/dbraw/zinc/50/35/19/276503519.db2.gz HHFCGRSNAJVMBZ-YNEHKIRRSA-N 2 2 290.429 0.168 10 0 CCAELP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000246951630 288308967 /nfs/dbraw/zinc/30/89/67/288308967.db2.gz DCXBWAVPBCUMAP-HZSPNIEDSA-N 2 2 296.415 0.195 10 0 CCAELP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000246951630 288308969 /nfs/dbraw/zinc/30/89/69/288308969.db2.gz DCXBWAVPBCUMAP-HZSPNIEDSA-N 2 2 296.415 0.195 10 0 CCAELP C[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000246951630 288308970 /nfs/dbraw/zinc/30/89/70/288308970.db2.gz DCXBWAVPBCUMAP-HZSPNIEDSA-N 2 2 296.415 0.195 10 0 CCAELP C[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000246951630 288308971 /nfs/dbraw/zinc/30/89/71/288308971.db2.gz DCXBWAVPBCUMAP-HZSPNIEDSA-N 2 2 296.415 0.195 10 0 CCAELP CCC[NH+]1CCN(CC[C@@H]([NH2+]C)C(=O)OCC)CC1 ZINC000062439546 519858410 /nfs/dbraw/zinc/85/84/10/519858410.db2.gz XMLHYNULZLZMJX-CYBMUJFWSA-N 2 2 271.405 0.555 10 0 CCAELP CCS(=O)(=O)CC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261896831 535633047 /nfs/dbraw/zinc/63/30/47/535633047.db2.gz HHFCGRSNAJVMBZ-JHJVBQTASA-N 2 2 290.429 0.168 10 0 CCAELP CC(C)[NH2+][C@@H](CC[N@@H+]1CCCO[C@H](C)C1)C(N)=O ZINC000062533177 519734289 /nfs/dbraw/zinc/73/42/89/519734289.db2.gz PHHPWYBODBHZKQ-NEPJUHHUSA-N 2 2 257.378 0.339 10 0 CCAELP CC(C)[NH2+][C@@H](CC[N@H+]1CCCO[C@H](C)C1)C(N)=O ZINC000062533177 519734292 /nfs/dbraw/zinc/73/42/92/519734292.db2.gz PHHPWYBODBHZKQ-NEPJUHHUSA-N 2 2 257.378 0.339 10 0 CCAELP CC[NH2+][C@H](CC[N@H+](C)CCc1ccccn1)C(N)=O ZINC000062438899 520184677 /nfs/dbraw/zinc/18/46/77/520184677.db2.gz YKEUMIFYWNQGEN-CYBMUJFWSA-N 2 2 264.373 0.409 10 0 CCAELP CC[NH2+][C@H](CC[N@@H+](C)CCc1ccccn1)C(N)=O ZINC000062438899 520184683 /nfs/dbraw/zinc/18/46/83/520184683.db2.gz YKEUMIFYWNQGEN-CYBMUJFWSA-N 2 2 264.373 0.409 10 0 CCAELP O=S1(=O)CC[C@H](C[NH2+]CCC[NH+]2CCCC2)C1 ZINC000049332587 527312000 /nfs/dbraw/zinc/31/20/00/527312000.db2.gz GRWOYPIAEFQDOH-GFCCVEGCSA-N 2 2 260.403 0.497 10 0 CCAELP Cn1cc[nH+]c1CCNC(=O)c1cc[nH+]c(NN)c1 ZINC000051118886 527428963 /nfs/dbraw/zinc/42/89/63/527428963.db2.gz MZZMVCUXLQVFFH-UHFFFAOYSA-N 2 2 260.301 0.073 10 0 CCAELP Cn1nc(Br)cc1C1=C[C@@H]([NH3+])C[NH2+]C1 ZINC000675078491 545321247 /nfs/dbraw/zinc/32/12/47/545321247.db2.gz QDDSFIABDHFPLJ-SSDOTTSWSA-N 2 2 257.135 0.497 10 0 CCAELP Cn1ncc2c1CCC[C@@H]2[NH2+]C1CC[NH+](CCO)CC1 ZINC000399143289 581208042 /nfs/dbraw/zinc/20/80/42/581208042.db2.gz VRTRRIMROBJESX-AWEZNQCLSA-N 2 2 278.400 0.844 10 0 CCAELP CC[NH2+]Cc1nc([C@H]2C[N@@H+]3CCC[C@H]3CO2)no1 ZINC000252561802 649828854 /nfs/dbraw/zinc/82/88/54/649828854.db2.gz WOYJOIAAWOJCLD-VHSXEESVSA-N 2 2 252.318 0.715 10 0 CCAELP CC[NH2+]Cc1nc([C@H]2C[N@H+]3CCC[C@H]3CO2)no1 ZINC000252561802 649828855 /nfs/dbraw/zinc/82/88/55/649828855.db2.gz WOYJOIAAWOJCLD-VHSXEESVSA-N 2 2 252.318 0.715 10 0 CCAELP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000261827895 137021699 /nfs/dbraw/zinc/02/16/99/137021699.db2.gz ADDQRBUUYSPQTR-ZWNOBZJWSA-N 3 2 278.381 0.604 10 0 CCAELP Cc1[nH+]c2ccccc2n1CC(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262293262 137035926 /nfs/dbraw/zinc/03/59/26/137035926.db2.gz OWRBNWSDQFBWHJ-SMDDNHRTSA-N 2 2 288.351 0.041 10 0 CCAELP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC000263292595 137062977 /nfs/dbraw/zinc/06/29/77/137062977.db2.gz VUUAJKCRZHQFHV-SWLSCSKDSA-N 3 2 287.367 0.246 10 0 CCAELP O=C(NCc1cccnc1-n1cc[nH+]c1)C1C[NH2+]C1 ZINC000263306931 137063350 /nfs/dbraw/zinc/06/33/50/137063350.db2.gz OMVHDLWJKUSUMM-UHFFFAOYSA-N 2 2 257.297 0.103 10 0 CCAELP C[N@@H+]1CCN(Cc2ccccc2)[C@H](C2=[NH+]CCN2)C1 ZINC000055906553 348582757 /nfs/dbraw/zinc/58/27/57/348582757.db2.gz GTWKOXWYJJMQTR-AWEZNQCLSA-N 2 2 258.369 0.804 10 0 CCAELP C[N@H+]1CCN(Cc2ccccc2)[C@H](C2=[NH+]CCN2)C1 ZINC000055906553 348582759 /nfs/dbraw/zinc/58/27/59/348582759.db2.gz GTWKOXWYJJMQTR-AWEZNQCLSA-N 2 2 258.369 0.804 10 0 CCAELP C[NH+](C)[C@H]1CCCN(C(=O)NC[C@H]2C[N@H+](C)CCO2)C1 ZINC000105279154 186048503 /nfs/dbraw/zinc/04/85/03/186048503.db2.gz CIZNEFNOYRUANM-STQMWFEESA-N 2 2 284.404 0.053 10 0 CCAELP C[NH+](C)[C@H]1CCCN(C(=O)NC[C@H]2C[N@@H+](C)CCO2)C1 ZINC000105279154 186048504 /nfs/dbraw/zinc/04/85/04/186048504.db2.gz CIZNEFNOYRUANM-STQMWFEESA-N 2 2 284.404 0.053 10 0 CCAELP CC[N@@H+]1CCC[C@@H](Nc2nc[nH+]c(N)c2OC)C1 ZINC000134847723 350377909 /nfs/dbraw/zinc/37/79/09/350377909.db2.gz GFFXOQDPWXTCAR-SECBINFHSA-N 2 2 251.334 0.964 10 0 CCAELP CC[N@H+]1CCC[C@@H](Nc2nc[nH+]c(N)c2OC)C1 ZINC000134847723 350377912 /nfs/dbraw/zinc/37/79/12/350377912.db2.gz GFFXOQDPWXTCAR-SECBINFHSA-N 2 2 251.334 0.964 10 0 CCAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCC(=O)NC(N)=O)C1 ZINC000105904158 186088067 /nfs/dbraw/zinc/08/80/67/186088067.db2.gz KUGZMQKXYMLHCA-NSHDSACASA-N 2 2 293.371 0.667 10 0 CCAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCC(=O)NC(N)=O)C1 ZINC000105904158 186088069 /nfs/dbraw/zinc/08/80/69/186088069.db2.gz KUGZMQKXYMLHCA-NSHDSACASA-N 2 2 293.371 0.667 10 0 CCAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)NC)C1 ZINC000105922700 186090436 /nfs/dbraw/zinc/09/04/36/186090436.db2.gz TXSQLCHWWSINBN-NSHDSACASA-N 2 2 250.346 0.828 10 0 CCAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)NC)C1 ZINC000105922700 186090438 /nfs/dbraw/zinc/09/04/38/186090438.db2.gz TXSQLCHWWSINBN-NSHDSACASA-N 2 2 250.346 0.828 10 0 CCAELP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170829758 350865372 /nfs/dbraw/zinc/86/53/72/350865372.db2.gz QWZBXQJYTMTPAI-CHWSQXEVSA-N 2 2 284.404 0.053 10 0 CCAELP CC(C)n1cc[nH+]c1CN1CCN(C(=O)C[NH+](C)C)CC1 ZINC000175085336 351117156 /nfs/dbraw/zinc/11/71/56/351117156.db2.gz NPZPHMREHXWVKR-UHFFFAOYSA-N 2 2 293.415 0.670 10 0 CCAELP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)C[NH+](C)C ZINC000175430729 351128989 /nfs/dbraw/zinc/12/89/89/351128989.db2.gz GWAXUSFCTPQQSL-GFCCVEGCSA-N 2 2 250.346 0.744 10 0 CCAELP CCN(CC)C(=O)[C@H](C)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193625734 351837017 /nfs/dbraw/zinc/83/70/17/351837017.db2.gz MPRSRJDFXIQLDA-RWMBFGLXSA-N 2 2 253.390 0.737 10 0 CCAELP CCN(CC)C(=O)[C@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193625734 351837019 /nfs/dbraw/zinc/83/70/19/351837019.db2.gz MPRSRJDFXIQLDA-RWMBFGLXSA-N 2 2 253.390 0.737 10 0 CCAELP CCN(CC)C(=O)[C@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193625734 351837021 /nfs/dbraw/zinc/83/70/21/351837021.db2.gz MPRSRJDFXIQLDA-RWMBFGLXSA-N 2 2 253.390 0.737 10 0 CCAELP CCN(CC)C(=O)[C@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193625734 351837025 /nfs/dbraw/zinc/83/70/25/351837025.db2.gz MPRSRJDFXIQLDA-RWMBFGLXSA-N 2 2 253.390 0.737 10 0 CCAELP CCC(CC)[C@@H](CNC(=O)[C@@H]1COCC[NH2+]1)[NH+]1CCCC1 ZINC000236665469 352203354 /nfs/dbraw/zinc/20/33/54/352203354.db2.gz DCJXQQLLJBBPSA-LSDHHAIUSA-N 2 2 297.443 0.992 10 0 CCAELP C[N@@H+]1CCO[C@H](CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000250382021 352505381 /nfs/dbraw/zinc/50/53/81/352505381.db2.gz MKNMRVCEJPLYOJ-WTUNAVPPSA-N 2 2 281.400 0.354 10 0 CCAELP C[N@H+]1CCO[C@H](CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000250382021 352505382 /nfs/dbraw/zinc/50/53/82/352505382.db2.gz MKNMRVCEJPLYOJ-WTUNAVPPSA-N 2 2 281.400 0.354 10 0 CCAELP C[C@H](CC(=O)NC[C@H]1C[N@H+](C)CCO1)[C@H]1CCC[NH2+]C1 ZINC000251689605 352510952 /nfs/dbraw/zinc/51/09/52/352510952.db2.gz WKVZSBRHUUBBNM-RDBSUJKOSA-N 2 2 283.416 0.459 10 0 CCAELP C[C@H](CC(=O)NC[C@H]1C[N@@H+](C)CCO1)[C@H]1CCC[NH2+]C1 ZINC000251689605 352510953 /nfs/dbraw/zinc/51/09/53/352510953.db2.gz WKVZSBRHUUBBNM-RDBSUJKOSA-N 2 2 283.416 0.459 10 0 CCAELP C[NH+]1CCC(Nc2cc(N3CCC[C@H]3CO)[nH+]cn2)CC1 ZINC000153032097 188060369 /nfs/dbraw/zinc/06/03/69/188060369.db2.gz MJNTVXMMRXJJRB-ZDUSSCGKSA-N 2 2 291.399 0.944 10 0 CCAELP C[NH+]1CCC(Nc2cc(N3CCC[C@H]3CO)nc[nH+]2)CC1 ZINC000153032097 188060371 /nfs/dbraw/zinc/06/03/71/188060371.db2.gz MJNTVXMMRXJJRB-ZDUSSCGKSA-N 2 2 291.399 0.944 10 0 CCAELP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000177176066 189033979 /nfs/dbraw/zinc/03/39/79/189033979.db2.gz HYQQTOPBRXYMFI-KBPBESRZSA-N 2 2 292.383 0.513 10 0 CCAELP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000177176066 189033980 /nfs/dbraw/zinc/03/39/80/189033980.db2.gz HYQQTOPBRXYMFI-KBPBESRZSA-N 2 2 292.383 0.513 10 0 CCAELP OC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000179169566 189174211 /nfs/dbraw/zinc/17/42/11/189174211.db2.gz PRSYTWZNEAGVJL-CABCVRRESA-N 2 2 273.336 0.800 10 0 CCAELP OC[C@H]1C[C@H](O)C[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000179169566 189174212 /nfs/dbraw/zinc/17/42/12/189174212.db2.gz PRSYTWZNEAGVJL-CABCVRRESA-N 2 2 273.336 0.800 10 0 CCAELP CC(C)(C)OC(=O)NCC[N@@H+]1CCOCC[C@H]1CC[NH3+] ZINC000616596969 365378573 /nfs/dbraw/zinc/37/85/73/365378573.db2.gz BLRDINNKWKWTPX-GFCCVEGCSA-N 2 2 287.404 0.951 10 0 CCAELP CC(C)(C)OC(=O)NCC[N@H+]1CCOCC[C@H]1CC[NH3+] ZINC000616596969 365378579 /nfs/dbraw/zinc/37/85/79/365378579.db2.gz BLRDINNKWKWTPX-GFCCVEGCSA-N 2 2 287.404 0.951 10 0 CCAELP O=C(N[C@@H]1CCC[C@H](O)C1)[C@@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000038043266 284034743 /nfs/dbraw/zinc/03/47/43/284034743.db2.gz NQWOZRNKHXMJMS-SNPRPXQTSA-N 2 2 295.427 0.623 10 0 CCAELP O=C(N[C@@H]1CCC[C@H](O)C1)[C@@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000038043266 284034746 /nfs/dbraw/zinc/03/47/46/284034746.db2.gz NQWOZRNKHXMJMS-SNPRPXQTSA-N 2 2 295.427 0.623 10 0 CCAELP CCc1nnc(C[NH+]2CCC(OCCC[NH3+])CC2)n1C ZINC000567502335 291488786 /nfs/dbraw/zinc/48/87/86/291488786.db2.gz HKPQHNIKHWQNFI-UHFFFAOYSA-N 2 2 281.404 0.707 10 0 CCAELP CO[C@@H]1C[N@H+](CCc2ccnn2C)[C@@](C)(C[NH3+])C1 ZINC000634688185 372134330 /nfs/dbraw/zinc/13/43/30/372134330.db2.gz KWPUAMBUTPFFCH-QWHCGFSZSA-N 2 2 252.362 0.401 10 0 CCAELP CO[C@@H]1C[N@@H+](CCc2ccnn2C)[C@@](C)(C[NH3+])C1 ZINC000634688185 372134335 /nfs/dbraw/zinc/13/43/35/372134335.db2.gz KWPUAMBUTPFFCH-QWHCGFSZSA-N 2 2 252.362 0.401 10 0 CCAELP [NH3+]C1(C(=O)N=c2ccn([C@H]3CC[NH2+]C3)[nH]2)CCCCC1 ZINC000515124408 249121460 /nfs/dbraw/zinc/12/14/60/249121460.db2.gz AXCXDKXGMHAAJO-NSHDSACASA-N 2 2 277.372 0.440 10 0 CCAELP CC[NH+]1CCN(C(=O)NC[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000126537837 284725814 /nfs/dbraw/zinc/72/58/14/284725814.db2.gz IVDMNNJBHZZYIX-CYBMUJFWSA-N 2 2 284.404 0.054 10 0 CCAELP CCOc1cccc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)n1 ZINC000263270699 535459312 /nfs/dbraw/zinc/45/93/12/535459312.db2.gz SDWUHCUVWKFZHM-CMPLNLGQSA-N 2 2 251.330 0.150 10 0 CCAELP CC[C@@H](C(=O)N1CC[N@H+](CCOC)[C@@H](C)C1)[NH+](C)C ZINC000246842199 285033897 /nfs/dbraw/zinc/03/38/97/285033897.db2.gz BARLRNOEKWWEHZ-STQMWFEESA-N 2 2 271.405 0.506 10 0 CCAELP CC[C@@H](C(=O)N1CC[N@@H+](CCOC)[C@@H](C)C1)[NH+](C)C ZINC000246842199 285033901 /nfs/dbraw/zinc/03/39/01/285033901.db2.gz BARLRNOEKWWEHZ-STQMWFEESA-N 2 2 271.405 0.506 10 0 CCAELP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H](C)[NH+]2CCOCC2)C1 ZINC000194145195 285267619 /nfs/dbraw/zinc/26/76/19/285267619.db2.gz CKCWNQNSUNICSP-KGLIPLIRSA-N 2 2 298.431 0.491 10 0 CCAELP CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H](C)[NH+]2CCOCC2)C1 ZINC000194145195 285267620 /nfs/dbraw/zinc/26/76/20/285267620.db2.gz CKCWNQNSUNICSP-KGLIPLIRSA-N 2 2 298.431 0.491 10 0 CCAELP C[N@@H+]1CCO[C@H]2CCN(C(=O)CCn3cc[nH+]c3)C[C@H]21 ZINC000284384249 388776373 /nfs/dbraw/zinc/77/63/73/388776373.db2.gz GGSFQHZZCNXLTI-OLZOCXBDSA-N 2 2 278.356 0.205 10 0 CCAELP C[N@H+]1CCO[C@H]2CCN(C(=O)CCn3cc[nH+]c3)C[C@H]21 ZINC000284384249 388776377 /nfs/dbraw/zinc/77/63/77/388776377.db2.gz GGSFQHZZCNXLTI-OLZOCXBDSA-N 2 2 278.356 0.205 10 0 CCAELP C[N@@H+]1CCO[C@H](C(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)C1 ZINC000186527194 388840514 /nfs/dbraw/zinc/84/05/14/388840514.db2.gz AROOAZNMAAIWBF-AAEUAGOBSA-N 2 2 267.373 0.060 10 0 CCAELP C[N@H+]1CCO[C@H](C(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)C1 ZINC000186527194 388840516 /nfs/dbraw/zinc/84/05/16/388840516.db2.gz AROOAZNMAAIWBF-AAEUAGOBSA-N 2 2 267.373 0.060 10 0 CCAELP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000248961377 389251386 /nfs/dbraw/zinc/25/13/86/389251386.db2.gz HVQJOFQRNMJRGH-QWRGUYRKSA-N 2 2 289.383 0.364 10 0 CCAELP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000248961377 389251389 /nfs/dbraw/zinc/25/13/89/389251389.db2.gz HVQJOFQRNMJRGH-QWRGUYRKSA-N 2 2 289.383 0.364 10 0 CCAELP C[C@@H](O)C[N@@H+]1CCN(CCC[NH+]2CCOCC2)C[C@@H]1C ZINC000173675334 389507222 /nfs/dbraw/zinc/50/72/22/389507222.db2.gz QYPWZPMDHQDRIU-LSDHHAIUSA-N 2 2 285.432 0.096 10 0 CCAELP C[C@@H](O)C[N@H+]1CCN(CCC[NH+]2CCOCC2)C[C@@H]1C ZINC000173675334 389507225 /nfs/dbraw/zinc/50/72/25/389507225.db2.gz QYPWZPMDHQDRIU-LSDHHAIUSA-N 2 2 285.432 0.096 10 0 CCAELP O=C([C@@H]1C[NH2+]CCC1(F)F)N1CCn2cc[nH+]c2C1 ZINC000649318158 390574668 /nfs/dbraw/zinc/57/46/68/390574668.db2.gz WCWSPJUXRKHEQE-VIFPVBQESA-N 2 2 270.283 0.470 10 0 CCAELP C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000577954421 390855278 /nfs/dbraw/zinc/85/52/78/390855278.db2.gz GBRRUBAFFCYSBY-UWVGGRQHSA-N 2 2 261.316 0.442 10 0 CCAELP C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000577954421 390855279 /nfs/dbraw/zinc/85/52/79/390855279.db2.gz GBRRUBAFFCYSBY-UWVGGRQHSA-N 2 2 261.316 0.442 10 0 CCAELP C[C@@H](Cn1cc[nH+]c1)NC(=O)C1CCC([NH3+])CC1 ZINC000037626607 397383101 /nfs/dbraw/zinc/38/31/01/397383101.db2.gz LGEYBKIOAOXOLE-UNXYVOJBSA-N 2 2 250.346 0.905 10 0 CCAELP CCOCCCNC(=O)[C@H](C)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193648889 286069658 /nfs/dbraw/zinc/06/96/58/286069658.db2.gz GTAFEGFMPKBDAY-MELADBBJSA-N 2 2 283.416 0.411 10 0 CCAELP CCOCCCNC(=O)[C@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193648889 286069660 /nfs/dbraw/zinc/06/96/60/286069660.db2.gz GTAFEGFMPKBDAY-MELADBBJSA-N 2 2 283.416 0.411 10 0 CCAELP CCOCCCNC(=O)[C@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193648889 286069661 /nfs/dbraw/zinc/06/96/61/286069661.db2.gz GTAFEGFMPKBDAY-MELADBBJSA-N 2 2 283.416 0.411 10 0 CCAELP CCOCCCNC(=O)[C@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193648889 286069662 /nfs/dbraw/zinc/06/96/62/286069662.db2.gz GTAFEGFMPKBDAY-MELADBBJSA-N 2 2 283.416 0.411 10 0 CCAELP COCCCNC(=O)[C@@H](C)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193620404 292360184 /nfs/dbraw/zinc/36/01/84/292360184.db2.gz SFKVSYPEAYMUPA-UPJWGTAASA-N 2 2 269.389 0.021 10 0 CCAELP COCCCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193620404 292360187 /nfs/dbraw/zinc/36/01/87/292360187.db2.gz SFKVSYPEAYMUPA-UPJWGTAASA-N 2 2 269.389 0.021 10 0 CCAELP COCCCNC(=O)[C@@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193620404 292360189 /nfs/dbraw/zinc/36/01/89/292360189.db2.gz SFKVSYPEAYMUPA-UPJWGTAASA-N 2 2 269.389 0.021 10 0 CCAELP COCCCNC(=O)[C@@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193620404 292360192 /nfs/dbraw/zinc/36/01/92/292360192.db2.gz SFKVSYPEAYMUPA-UPJWGTAASA-N 2 2 269.389 0.021 10 0 CCAELP CCC[NH+]1CCN(S(=O)(=O)c2cccc(C[NH3+])c2)CC1 ZINC000022220254 171377182 /nfs/dbraw/zinc/37/71/82/171377182.db2.gz FOWXZHXZWXAFGZ-UHFFFAOYSA-N 2 2 297.424 0.862 10 0 CCAELP CC(C)[NH+]1CCC([NH2+]C[C@@H]2CCCO2)(C(N)=O)CC1 ZINC000037942960 173883512 /nfs/dbraw/zinc/88/35/12/173883512.db2.gz LJXVILMXYCEQRF-LBPRGKRZSA-N 2 2 269.389 0.483 10 0 CCAELP O=C([C@@H]1COCC[NH2+]1)N1CC[NH+](Cc2cccs2)CC1 ZINC000088370424 544506571 /nfs/dbraw/zinc/50/65/71/544506571.db2.gz QUIHPNZMYZYGHG-ZDUSSCGKSA-N 2 2 295.408 0.381 10 0 CCAELP CC[N@@H+]1CCO[C@H](CN[C@@H]2C[C@@H](C)[NH+](C3CC3)C2)C1 ZINC000228186907 544841461 /nfs/dbraw/zinc/84/14/61/544841461.db2.gz XOVZKDGWYHPCMT-UMVBOHGHSA-N 2 2 267.417 0.922 10 0 CCAELP CC[N@H+]1CCO[C@H](CN[C@@H]2C[C@@H](C)[NH+](C3CC3)C2)C1 ZINC000228186907 544841465 /nfs/dbraw/zinc/84/14/65/544841465.db2.gz XOVZKDGWYHPCMT-UMVBOHGHSA-N 2 2 267.417 0.922 10 0 CCAELP CC[NH+]1CCO[C@H](CN[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)C1 ZINC000228186907 544841468 /nfs/dbraw/zinc/84/14/68/544841468.db2.gz XOVZKDGWYHPCMT-UMVBOHGHSA-N 2 2 267.417 0.922 10 0 CCAELP CC[NH+]1CCO[C@H](CN[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)C1 ZINC000228186907 544841471 /nfs/dbraw/zinc/84/14/71/544841471.db2.gz XOVZKDGWYHPCMT-UMVBOHGHSA-N 2 2 267.417 0.922 10 0 CCAELP CC[N@@H+]1CCC[C@H]1CN(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000336826387 279327994 /nfs/dbraw/zinc/32/79/94/279327994.db2.gz NPIWHFHUGHFEQV-LSDHHAIUSA-N 2 2 285.432 0.096 10 0 CCAELP CC[N@H+]1CCC[C@H]1CN(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000336826387 279327995 /nfs/dbraw/zinc/32/79/95/279327995.db2.gz NPIWHFHUGHFEQV-LSDHHAIUSA-N 2 2 285.432 0.096 10 0 CCAELP C[C@@]1(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)CCC[NH2+]C1 ZINC000062976724 289134864 /nfs/dbraw/zinc/13/48/64/289134864.db2.gz UZSUUJXDLUWJCF-DZGCQCFKSA-N 2 2 281.400 0.309 10 0 CCAELP Cn1ccc(NC(=O)[C@H]2CCC[N@@H+]2C2CC[NH2+]CC2)n1 ZINC000038043278 294359727 /nfs/dbraw/zinc/35/97/27/294359727.db2.gz AFAZVQTYOKWFGQ-GFCCVEGCSA-N 2 2 277.372 0.575 10 0 CCAELP Cn1ccc(NC(=O)[C@H]2CCC[N@H+]2C2CC[NH2+]CC2)n1 ZINC000038043278 294359728 /nfs/dbraw/zinc/35/97/28/294359728.db2.gz AFAZVQTYOKWFGQ-GFCCVEGCSA-N 2 2 277.372 0.575 10 0 CCAELP [NH3+]CCCCCCC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000062976793 295227888 /nfs/dbraw/zinc/22/78/88/295227888.db2.gz ZHBSYJZLTZUOLJ-CQSZACIVSA-N 2 2 283.416 0.829 10 0 CCAELP C[NH2+]Cc1cc(C[N@@H+](C)[C@@H]2CCS(=O)(=O)C2)oc1C ZINC000052482774 522105221 /nfs/dbraw/zinc/10/52/21/522105221.db2.gz HFXQJOVPRKERLC-GFCCVEGCSA-N 2 2 286.397 0.926 10 0 CCAELP CCC[NH2+][C@@H](CCN1CCC[N@H+](C)CC1)C(=O)OC ZINC000062444305 519999036 /nfs/dbraw/zinc/99/90/36/519999036.db2.gz JMMHQNYGTFYKRN-ZDUSSCGKSA-N 2 2 271.405 0.555 10 0 CCAELP CCC[NH2+][C@@H](CCN1CCC[N@@H+](C)CC1)C(=O)OC ZINC000062444305 519999046 /nfs/dbraw/zinc/99/90/46/519999046.db2.gz JMMHQNYGTFYKRN-ZDUSSCGKSA-N 2 2 271.405 0.555 10 0 CCAELP C[NH+](C)C[C@H]1CCCN1CC[N@H+]1CCC[NH2+]CC1 ZINC000061652374 521869538 /nfs/dbraw/zinc/86/95/38/521869538.db2.gz WPZKPJSEWKVZSA-CQSZACIVSA-N 3 2 254.422 0.308 10 0 CCAELP C[NH+](C)C[C@H]1CCCN1CC[N@@H+]1CCC[NH2+]CC1 ZINC000061652374 521869531 /nfs/dbraw/zinc/86/95/31/521869531.db2.gz WPZKPJSEWKVZSA-CQSZACIVSA-N 3 2 254.422 0.308 10 0 CCAELP C[NH2+]Cc1cc(C[N@H+](C)[C@@H]2CCS(=O)(=O)C2)oc1C ZINC000052482774 522105211 /nfs/dbraw/zinc/10/52/11/522105211.db2.gz HFXQJOVPRKERLC-GFCCVEGCSA-N 2 2 286.397 0.926 10 0 CCAELP COC1CC[NH+](CC[C@@H]([NH2+]C2CC2)C(N)=O)CC1 ZINC000062447897 522705188 /nfs/dbraw/zinc/70/51/88/522705188.db2.gz LWIWPODDTZHCTD-GFCCVEGCSA-N 2 2 255.362 0.093 10 0 CCAELP NNc1cccc(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)[nH+]1 ZINC000051116246 527283226 /nfs/dbraw/zinc/28/32/26/527283226.db2.gz YAMDMEYQVVRJAE-SECBINFHSA-N 2 2 261.329 0.334 10 0 CCAELP NNc1cccc(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)[nH+]1 ZINC000051116246 527283228 /nfs/dbraw/zinc/28/32/28/527283228.db2.gz YAMDMEYQVVRJAE-SECBINFHSA-N 2 2 261.329 0.334 10 0 CCAELP COC(=O)[C@@H]1C[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C[C@@H]1C ZINC000312070938 625362246 /nfs/dbraw/zinc/36/22/46/625362246.db2.gz NNXIHGBNAIKJJP-WCFLWFBJSA-N 2 2 270.373 0.182 10 0 CCAELP COC(=O)[C@@H]1C[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C[C@@H]1C ZINC000312070938 625362248 /nfs/dbraw/zinc/36/22/48/625362248.db2.gz NNXIHGBNAIKJJP-WCFLWFBJSA-N 2 2 270.373 0.182 10 0 CCAELP COC(=O)[C@@H]1C[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C[C@@H]1C ZINC000312070938 625362252 /nfs/dbraw/zinc/36/22/52/625362252.db2.gz NNXIHGBNAIKJJP-WCFLWFBJSA-N 2 2 270.373 0.182 10 0 CCAELP COC(=O)[C@@H]1C[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C[C@@H]1C ZINC000312070938 625362256 /nfs/dbraw/zinc/36/22/56/625362256.db2.gz NNXIHGBNAIKJJP-WCFLWFBJSA-N 2 2 270.373 0.182 10 0 CCAELP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2cc[nH]c2)CC1 ZINC000093821229 349555152 /nfs/dbraw/zinc/55/51/52/349555152.db2.gz SRJOFMCTHQZNNM-AWEZNQCLSA-N 2 2 276.384 0.753 10 0 CCAELP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2cc[nH]c2)CC1 ZINC000093821229 349555154 /nfs/dbraw/zinc/55/51/54/349555154.db2.gz SRJOFMCTHQZNNM-AWEZNQCLSA-N 2 2 276.384 0.753 10 0 CCAELP CC(C)[N@H+](C)CCNC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000101980912 349673803 /nfs/dbraw/zinc/67/38/03/349673803.db2.gz JSWRAUVCLZHAAK-CYBMUJFWSA-N 2 2 286.420 0.347 10 0 CCAELP CC(C)[N@@H+](C)CCNC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000101980912 349673806 /nfs/dbraw/zinc/67/38/06/349673806.db2.gz JSWRAUVCLZHAAK-CYBMUJFWSA-N 2 2 286.420 0.347 10 0 CCAELP C[C@@H](CNC(=O)NC[C@H]1C[N@H+](C)CCO1)[NH+](C)C1CC1 ZINC000105263669 349721525 /nfs/dbraw/zinc/72/15/25/349721525.db2.gz DHYGJHNDNGZGFW-AAEUAGOBSA-N 2 2 284.404 0.099 10 0 CCAELP C[C@@H](CNC(=O)NC[C@H]1C[N@@H+](C)CCO1)[NH+](C)C1CC1 ZINC000105263669 349721527 /nfs/dbraw/zinc/72/15/27/349721527.db2.gz DHYGJHNDNGZGFW-AAEUAGOBSA-N 2 2 284.404 0.099 10 0 CCAELP C[C@@H](CNC(=O)NC[C@H]1C[NH+](C)CCO1)[N@H+](C)C1CC1 ZINC000105263669 349721529 /nfs/dbraw/zinc/72/15/29/349721529.db2.gz DHYGJHNDNGZGFW-AAEUAGOBSA-N 2 2 284.404 0.099 10 0 CCAELP C[C@@H](CNC(=O)NC[C@H]1C[NH+](C)CCO1)[N@@H+](C)C1CC1 ZINC000105263669 349721532 /nfs/dbraw/zinc/72/15/32/349721532.db2.gz DHYGJHNDNGZGFW-AAEUAGOBSA-N 2 2 284.404 0.099 10 0 CCAELP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2nncn2C)CC1 ZINC000105862744 349726316 /nfs/dbraw/zinc/72/63/16/349726316.db2.gz QMDSLXGUOUDYDN-LBPRGKRZSA-N 2 2 281.404 0.340 10 0 CCAELP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2nncn2C)CC1 ZINC000105862744 349726319 /nfs/dbraw/zinc/72/63/19/349726319.db2.gz QMDSLXGUOUDYDN-LBPRGKRZSA-N 2 2 281.404 0.340 10 0 CCAELP CC1CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)CC1 ZINC000119055650 349916905 /nfs/dbraw/zinc/91/69/05/349916905.db2.gz YTZJYSYYYBKASX-OAHLLOKOSA-N 2 2 295.427 0.698 10 0 CCAELP CC1CC[NH+](CC(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)CC1 ZINC000119055650 349916907 /nfs/dbraw/zinc/91/69/07/349916907.db2.gz YTZJYSYYYBKASX-OAHLLOKOSA-N 2 2 295.427 0.698 10 0 CCAELP Cc1nocc1C[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000339196684 215005418 /nfs/dbraw/zinc/00/54/18/215005418.db2.gz BCKBFYJIOQKXDC-ZDUSSCGKSA-N 2 2 253.346 0.919 10 0 CCAELP CC1CC[NH+](CC(=O)NC[C@H]2C[N@H+](C)CCO2)CC1 ZINC000135441758 136835186 /nfs/dbraw/zinc/83/51/86/136835186.db2.gz USHGLKRCOSBMNR-ZDUSSCGKSA-N 2 2 269.389 0.165 10 0 CCAELP CC1CC[NH+](CC(=O)NC[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000135441758 136835187 /nfs/dbraw/zinc/83/51/87/136835187.db2.gz USHGLKRCOSBMNR-ZDUSSCGKSA-N 2 2 269.389 0.165 10 0 CCAELP COc1cc2c(cc1C[NH2+]C[C@H]1C[NH2+]C[C@@H]1O)OCO2 ZINC000263212696 137060261 /nfs/dbraw/zinc/06/02/61/137060261.db2.gz KLVSZONAVPUJLS-QWRGUYRKSA-N 2 2 280.324 0.094 10 0 CCAELP Cn1c(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)nc2ccccc21 ZINC000263228112 137060872 /nfs/dbraw/zinc/06/08/72/137060872.db2.gz NBXJCKJDGDXWPI-GXFFZTMASA-N 2 2 260.341 0.243 10 0 CCAELP C[C@@H](C[NH+]1CCOCC1)NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054291609 348548185 /nfs/dbraw/zinc/54/81/85/348548185.db2.gz PMKJBQZQRWPZAN-QWHCGFSZSA-N 2 2 269.389 0.213 10 0 CCAELP O=C(CC[C@H]1CCC[NH2+]C1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062976753 348674524 /nfs/dbraw/zinc/67/45/24/348674524.db2.gz RDDBJNDLURYPOO-CABCVRRESA-N 2 2 295.427 0.699 10 0 CCAELP [NH3+]C1CC[NH+]([C@H]2CCN(C(=O)C(F)(F)F)C2)CC1 ZINC000131895882 350290839 /nfs/dbraw/zinc/29/08/39/350290839.db2.gz OHRDPTXMLMOHHA-VIFPVBQESA-N 2 2 265.279 0.573 10 0 CCAELP COC[C@@H](O)C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000171973344 350948699 /nfs/dbraw/zinc/94/86/99/350948699.db2.gz JKKJEKNBULZNGE-HNNXBMFYSA-N 2 2 296.415 0.287 10 0 CCAELP COC[C@@H](O)C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000171973344 350948703 /nfs/dbraw/zinc/94/87/03/350948703.db2.gz JKKJEKNBULZNGE-HNNXBMFYSA-N 2 2 296.415 0.287 10 0 CCAELP COC(=O)[C@H](C)[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174878505 351109266 /nfs/dbraw/zinc/10/92/66/351109266.db2.gz XRJPBHLTWUIKHI-KBPBESRZSA-N 2 2 283.416 0.650 10 0 CCAELP COC(=O)[C@H](C)[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174878505 351109267 /nfs/dbraw/zinc/10/92/67/351109267.db2.gz XRJPBHLTWUIKHI-KBPBESRZSA-N 2 2 283.416 0.650 10 0 CCAELP C[C@@H]1CCCN(C(=O)C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C1 ZINC000193652589 351839547 /nfs/dbraw/zinc/83/95/47/351839547.db2.gz HEOVXNAYYNXRQE-MCIONIFRSA-N 2 2 265.401 0.738 10 0 CCAELP C[C@@H]1CCCN(C(=O)C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C1 ZINC000193652589 351839551 /nfs/dbraw/zinc/83/95/51/351839551.db2.gz HEOVXNAYYNXRQE-MCIONIFRSA-N 2 2 265.401 0.738 10 0 CCAELP C[C@@H]1CCCN(C(=O)C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)C1 ZINC000193652589 351839552 /nfs/dbraw/zinc/83/95/52/351839552.db2.gz HEOVXNAYYNXRQE-MCIONIFRSA-N 2 2 265.401 0.738 10 0 CCAELP C[C@@H]1CCCN(C(=O)C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)C1 ZINC000193652589 351839556 /nfs/dbraw/zinc/83/95/56/351839556.db2.gz HEOVXNAYYNXRQE-MCIONIFRSA-N 2 2 265.401 0.738 10 0 CCAELP c1[nH]nc([C@@H]2CCC[NH2+]C2)c1C[NH+]1CCOCC1 ZINC000216634776 351943241 /nfs/dbraw/zinc/94/32/41/351943241.db2.gz WDSHLAFAJWSTLV-LLVKDONJSA-N 2 2 250.346 0.709 10 0 CCAELP CCC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000236871984 352223160 /nfs/dbraw/zinc/22/31/60/352223160.db2.gz OTYGBNUFOOGAAK-NEPJUHHUSA-N 2 2 255.362 0.093 10 0 CCAELP CCC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000236871984 352223162 /nfs/dbraw/zinc/22/31/62/352223162.db2.gz OTYGBNUFOOGAAK-NEPJUHHUSA-N 2 2 255.362 0.093 10 0 CCAELP CC[NH+](CC)CC(=O)N1CCN(C)[C@H](c2[nH]cc[nH+]2)C1 ZINC000328625452 354241410 /nfs/dbraw/zinc/24/14/10/354241410.db2.gz KTTJHPBGDCCCOZ-LBPRGKRZSA-N 2 2 279.388 0.567 10 0 CCAELP CN(C[C@@H]1CCn2cc[nH+]c2C1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000328636945 354243430 /nfs/dbraw/zinc/24/34/30/354243430.db2.gz VUPLKAOHZAMJAV-OLZOCXBDSA-N 2 2 292.383 0.235 10 0 CCAELP CN(C[C@@H]1CCn2cc[nH+]c2C1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000328636945 354243433 /nfs/dbraw/zinc/24/34/33/354243433.db2.gz VUPLKAOHZAMJAV-OLZOCXBDSA-N 2 2 292.383 0.235 10 0 CCAELP C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000333671086 354773619 /nfs/dbraw/zinc/77/36/19/354773619.db2.gz NCSGHHQDTWMZLJ-UONOGXRCSA-N 2 2 296.415 0.101 10 0 CCAELP C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000333671086 354773623 /nfs/dbraw/zinc/77/36/23/354773623.db2.gz NCSGHHQDTWMZLJ-UONOGXRCSA-N 2 2 296.415 0.101 10 0 CCAELP CN(CC[NH+]1CCOCC1)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333843922 354804410 /nfs/dbraw/zinc/80/44/10/354804410.db2.gz OUUQBZPXWDDQLE-ZDUSSCGKSA-N 2 2 284.404 0.102 10 0 CCAELP C[C@H]1C[N@H+](Cc2cc(=O)n3ccsc3n2)C[C@H]1C[NH3+] ZINC000631843548 370710199 /nfs/dbraw/zinc/71/01/99/370710199.db2.gz PEBZXXFSCOKKTP-VHSXEESVSA-N 2 2 278.381 0.783 10 0 CCAELP C[C@H]1C[N@@H+](Cc2cc(=O)n3ccsc3n2)C[C@H]1C[NH3+] ZINC000631843548 370710202 /nfs/dbraw/zinc/71/02/02/370710202.db2.gz PEBZXXFSCOKKTP-VHSXEESVSA-N 2 2 278.381 0.783 10 0 CCAELP C[C@@H]1C[N@H+](Cc2nnnn2-c2ccccc2)C[C@@H]1C[NH3+] ZINC000631843892 370711041 /nfs/dbraw/zinc/71/10/41/370711041.db2.gz SZJCSURSQONTMF-NEPJUHHUSA-N 2 2 272.356 0.689 10 0 CCAELP C[C@@H]1C[N@@H+](Cc2nnnn2-c2ccccc2)C[C@@H]1C[NH3+] ZINC000631843892 370711044 /nfs/dbraw/zinc/71/10/44/370711044.db2.gz SZJCSURSQONTMF-NEPJUHHUSA-N 2 2 272.356 0.689 10 0 CCAELP CC(C)(C)OC(=O)NCCN1CC[NH2+]C[C@H]1c1c[nH+]c[nH]1 ZINC000616636508 365395272 /nfs/dbraw/zinc/39/52/72/365395272.db2.gz UYSWWRJFIFKXCZ-LBPRGKRZSA-N 2 2 295.387 0.881 10 0 CCAELP CC(C)(C)OC(=O)NCCN1CC[NH2+]C[C@@H]1c1c[nH+]c[nH]1 ZINC000616637285 365397553 /nfs/dbraw/zinc/39/75/53/365397553.db2.gz UYSWWRJFIFKXCZ-GFCCVEGCSA-N 2 2 295.387 0.881 10 0 CCAELP CC[N@@H+]1CC[C@H](NC(=O)N2CCn3c[nH+]cc3C2)C1 ZINC000334116437 206026549 /nfs/dbraw/zinc/02/65/49/206026549.db2.gz HOFSWKIBXNHBCB-NSHDSACASA-N 2 2 263.345 0.503 10 0 CCAELP CC[N@H+]1CC[C@H](NC(=O)N2CCn3c[nH+]cc3C2)C1 ZINC000334116437 206026554 /nfs/dbraw/zinc/02/65/54/206026554.db2.gz HOFSWKIBXNHBCB-NSHDSACASA-N 2 2 263.345 0.503 10 0 CCAELP CCOCC[N@@H+]1CCN(Cc2c[nH+]cn2C)C[C@H]1C ZINC000246481082 285021778 /nfs/dbraw/zinc/02/17/78/285021778.db2.gz ORLGCVOIDRZLKI-CYBMUJFWSA-N 2 2 266.389 0.963 10 0 CCAELP CCOCC[N@H+]1CCN(Cc2c[nH+]cn2C)C[C@H]1C ZINC000246481082 285021782 /nfs/dbraw/zinc/02/17/82/285021782.db2.gz ORLGCVOIDRZLKI-CYBMUJFWSA-N 2 2 266.389 0.963 10 0 CCAELP CCC[C@@H](C(=O)N1CC[N@H+](CCO)[C@H](C)C1)[NH+](C)C ZINC000188724142 388938588 /nfs/dbraw/zinc/93/85/88/388938588.db2.gz FUXOWOWDGLABKU-OLZOCXBDSA-N 2 2 271.405 0.242 10 0 CCAELP CCC[C@@H](C(=O)N1CC[N@@H+](CCO)[C@H](C)C1)[NH+](C)C ZINC000188724142 388938591 /nfs/dbraw/zinc/93/85/91/388938591.db2.gz FUXOWOWDGLABKU-OLZOCXBDSA-N 2 2 271.405 0.242 10 0 CCAELP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)CO[C@H](C)COC)C1 ZINC000389264520 389771410 /nfs/dbraw/zinc/77/14/10/389771410.db2.gz PJQMIOBYZMBUNG-AGIUHOORSA-N 2 2 260.378 0.083 10 0 CCAELP CC[N@H+]1CC[C@H]([NH2+]C[C@H](O)CO[C@H](C)COC)C1 ZINC000389264520 389771411 /nfs/dbraw/zinc/77/14/11/389771411.db2.gz PJQMIOBYZMBUNG-AGIUHOORSA-N 2 2 260.378 0.083 10 0 CCAELP CC[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@H+](CCO)C2)CCO1 ZINC000384427474 397495418 /nfs/dbraw/zinc/49/54/18/397495418.db2.gz DMUYLNGXYWGFLG-MGPQQGTHSA-N 2 2 256.390 0.990 10 0 CCAELP CC[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@@H+](CCO)C2)CCO1 ZINC000384427474 397495421 /nfs/dbraw/zinc/49/54/21/397495421.db2.gz DMUYLNGXYWGFLG-MGPQQGTHSA-N 2 2 256.390 0.990 10 0 CCAELP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[N@H+](CCO)C2)C[C@H](C)O1 ZINC000384302397 397495568 /nfs/dbraw/zinc/49/55/68/397495568.db2.gz CGPJNFXFXSZCJI-CRWXNKLISA-N 2 2 256.390 0.989 10 0 CCAELP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[N@@H+](CCO)C2)C[C@H](C)O1 ZINC000384302397 397495572 /nfs/dbraw/zinc/49/55/72/397495572.db2.gz CGPJNFXFXSZCJI-CRWXNKLISA-N 2 2 256.390 0.989 10 0 CCAELP [NH3+][C@@H](C(=O)N1CC[C@H]([NH+]2CCOCC2)C1)C1CCC1 ZINC000398953506 411774029 /nfs/dbraw/zinc/77/40/29/411774029.db2.gz GAFSHYCZEWPWPL-QWHCGFSZSA-N 2 2 267.373 0.047 10 0 CCAELP CCO[C@@H]1C[N@H+](Cc2c(C)nn(C)c2OC)C[C@H]1C[NH3+] ZINC000405433363 411802066 /nfs/dbraw/zinc/80/20/66/411802066.db2.gz IOLMWQYMWNIQQV-DGCLKSJQSA-N 2 2 282.388 0.533 10 0 CCAELP CCO[C@@H]1C[N@@H+](Cc2c(C)nn(C)c2OC)C[C@H]1C[NH3+] ZINC000405433363 411802068 /nfs/dbraw/zinc/80/20/68/411802068.db2.gz IOLMWQYMWNIQQV-DGCLKSJQSA-N 2 2 282.388 0.533 10 0 CCAELP CC[N@H+](CCO)[C@H](C[NH3+])c1ccc2c(c1)OCO2 ZINC000020226405 171091843 /nfs/dbraw/zinc/09/18/43/171091843.db2.gz MNAOHJMYFAXYRS-LLVKDONJSA-N 2 2 252.314 0.729 10 0 CCAELP CC[N@@H+](CCO)[C@H](C[NH3+])c1ccc2c(c1)OCO2 ZINC000020226405 171091844 /nfs/dbraw/zinc/09/18/44/171091844.db2.gz MNAOHJMYFAXYRS-LLVKDONJSA-N 2 2 252.314 0.729 10 0 CCAELP Cn1cc[nH+]c1CNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653116421 412226006 /nfs/dbraw/zinc/22/60/06/412226006.db2.gz GKTQPZBAUBFOKP-HTQZYQBOSA-N 2 2 276.262 0.434 10 0 CCAELP CC[N@H+](Cc1cc(=O)c(O)co1)C1CC[NH2+]CC1 ZINC000037538036 173257928 /nfs/dbraw/zinc/25/79/28/173257928.db2.gz MGMJQPBVGMUHED-UHFFFAOYSA-N 2 2 252.314 0.919 10 0 CCAELP CC[N@@H+](Cc1cc(=O)c(O)co1)C1CC[NH2+]CC1 ZINC000037538036 173257930 /nfs/dbraw/zinc/25/79/30/173257930.db2.gz MGMJQPBVGMUHED-UHFFFAOYSA-N 2 2 252.314 0.919 10 0 CCAELP CCC[NH+]1CCN(S(=O)(=O)C[C@H]2CCC[NH2+]C2)CC1 ZINC000044390136 175170456 /nfs/dbraw/zinc/17/04/56/175170456.db2.gz PEZVIUNHXGPBTM-ZDUSSCGKSA-N 2 2 289.445 0.343 10 0 CCAELP CC[NH2+][C@H](CC[N@H+](C)C[C@@H]1CC[NH+](C)C1)C(=O)[O-] ZINC000071191061 176067878 /nfs/dbraw/zinc/06/78/78/176067878.db2.gz JOWFWJJCTVMMGF-VXGBXAGGSA-N 2 2 257.378 0.323 10 0 CCAELP CC[NH2+][C@H](CC[N@@H+](C)C[C@@H]1CC[NH+](C)C1)C(=O)[O-] ZINC000071191061 176067879 /nfs/dbraw/zinc/06/78/79/176067879.db2.gz JOWFWJJCTVMMGF-VXGBXAGGSA-N 2 2 257.378 0.323 10 0 CCAELP CC[NH2+][C@H](CC[NH+](C)C[C@@H]1CC[N@H+](C)C1)C(=O)[O-] ZINC000071191061 176067880 /nfs/dbraw/zinc/06/78/80/176067880.db2.gz JOWFWJJCTVMMGF-VXGBXAGGSA-N 2 2 257.378 0.323 10 0 CCAELP CC[NH2+][C@H](CC[NH+](C)C[C@@H]1CC[N@@H+](C)C1)C(=O)[O-] ZINC000071191061 176067882 /nfs/dbraw/zinc/06/78/82/176067882.db2.gz JOWFWJJCTVMMGF-VXGBXAGGSA-N 2 2 257.378 0.323 10 0 CCAELP CCOC(=O)[C@@H]1CCC[N@@H+]([C@@H]2COC[C@H]2C[NH+](C)C)C1 ZINC000725273848 545889747 /nfs/dbraw/zinc/88/97/47/545889747.db2.gz NBZDUCDJTHPBKE-MGPQQGTHSA-N 2 2 284.400 0.838 10 0 CCAELP CCOC(=O)[C@@H]1CCC[N@H+]([C@@H]2COC[C@H]2C[NH+](C)C)C1 ZINC000725273848 545889753 /nfs/dbraw/zinc/88/97/53/545889753.db2.gz NBZDUCDJTHPBKE-MGPQQGTHSA-N 2 2 284.400 0.838 10 0 CCAELP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089451693 544512874 /nfs/dbraw/zinc/51/28/74/544512874.db2.gz PZUKFHATROOLNG-JHJVBQTASA-N 2 2 269.389 0.198 10 0 CCAELP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000089462264 544514058 /nfs/dbraw/zinc/51/40/58/544514058.db2.gz VHAURKOEOVBXDR-IHRRRGAJSA-N 2 2 281.400 0.295 10 0 CCAELP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000262151609 544942016 /nfs/dbraw/zinc/94/20/16/544942016.db2.gz RGFUBOSPZOOKGD-ZFWWWQNUSA-N 3 2 272.352 0.542 10 0 CCAELP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[NH+](C3CC3)CC2)C1 ZINC000081306593 277117748 /nfs/dbraw/zinc/11/77/48/277117748.db2.gz NKNIMMLXWLCJEH-CYBMUJFWSA-N 2 2 267.373 0.014 10 0 CCAELP C[N@H+]1CCO[C@@H](C(=O)N2CCC[NH+](C3CC3)CC2)C1 ZINC000081306593 277117750 /nfs/dbraw/zinc/11/77/50/277117750.db2.gz NKNIMMLXWLCJEH-CYBMUJFWSA-N 2 2 267.373 0.014 10 0 CCAELP C[NH+]1CCO[C@@H](C(=O)N2CCC[N@@H+](C3CC3)CC2)C1 ZINC000081306593 277117751 /nfs/dbraw/zinc/11/77/51/277117751.db2.gz NKNIMMLXWLCJEH-CYBMUJFWSA-N 2 2 267.373 0.014 10 0 CCAELP C[NH+]1CCO[C@@H](C(=O)N2CCC[N@H+](C3CC3)CC2)C1 ZINC000081306593 277117752 /nfs/dbraw/zinc/11/77/52/277117752.db2.gz NKNIMMLXWLCJEH-CYBMUJFWSA-N 2 2 267.373 0.014 10 0 CCAELP C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515606 279218863 /nfs/dbraw/zinc/21/88/63/279218863.db2.gz AATYQHITAXZGJK-GHMZBOCLSA-N 2 2 291.355 0.399 10 0 CCAELP C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515606 279218867 /nfs/dbraw/zinc/21/88/67/279218867.db2.gz AATYQHITAXZGJK-GHMZBOCLSA-N 2 2 291.355 0.399 10 0 CCAELP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000246951648 288308731 /nfs/dbraw/zinc/30/87/31/288308731.db2.gz DCXBWAVPBCUMAP-RDBSUJKOSA-N 2 2 296.415 0.195 10 0 CCAELP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000246951648 288308734 /nfs/dbraw/zinc/30/87/34/288308734.db2.gz DCXBWAVPBCUMAP-RDBSUJKOSA-N 2 2 296.415 0.195 10 0 CCAELP C[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000246951648 288308737 /nfs/dbraw/zinc/30/87/37/288308737.db2.gz DCXBWAVPBCUMAP-RDBSUJKOSA-N 2 2 296.415 0.195 10 0 CCAELP C[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000246951648 288308739 /nfs/dbraw/zinc/30/87/39/288308739.db2.gz DCXBWAVPBCUMAP-RDBSUJKOSA-N 2 2 296.415 0.195 10 0 CCAELP CC(C)[N@H+](C)C[C@@H](O)CN1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000383818629 545085041 /nfs/dbraw/zinc/08/50/41/545085041.db2.gz DJNBVSIYBGXTOL-HUUCEWRRSA-N 2 2 285.432 0.094 10 0 CCAELP CC(C)[N@@H+](C)C[C@@H](O)CN1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000383818629 545085042 /nfs/dbraw/zinc/08/50/42/545085042.db2.gz DJNBVSIYBGXTOL-HUUCEWRRSA-N 2 2 285.432 0.094 10 0 CCAELP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](N2CCOCC2)C1 ZINC000383818629 545085043 /nfs/dbraw/zinc/08/50/43/545085043.db2.gz DJNBVSIYBGXTOL-HUUCEWRRSA-N 2 2 285.432 0.094 10 0 CCAELP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](N2CCOCC2)C1 ZINC000383818629 545085044 /nfs/dbraw/zinc/08/50/44/545085044.db2.gz DJNBVSIYBGXTOL-HUUCEWRRSA-N 2 2 285.432 0.094 10 0 CCAELP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000383818629 545085046 /nfs/dbraw/zinc/08/50/46/545085046.db2.gz DJNBVSIYBGXTOL-HUUCEWRRSA-N 2 2 285.432 0.094 10 0 CCAELP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000383818629 545085045 /nfs/dbraw/zinc/08/50/45/545085045.db2.gz DJNBVSIYBGXTOL-HUUCEWRRSA-N 2 2 285.432 0.094 10 0 CCAELP Cn1c[nH+]cc1CCCN1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000404018367 545091127 /nfs/dbraw/zinc/09/11/27/545091127.db2.gz SIKIVIVHFLTNIV-UONOGXRCSA-N 2 2 264.373 0.415 10 0 CCAELP CC(C)(C)N1CC[NH+](C[C@@H]2CC[C@@H](C[NH3+])O2)CC1 ZINC000052571651 518711067 /nfs/dbraw/zinc/71/10/67/518711067.db2.gz CLBOVGJAZSRQGN-STQMWFEESA-N 2 2 255.406 0.909 10 0 CCAELP [NH3+]C[C@H]1CCC[C@H](C(=O)NCC[NH+]2CCOCC2)C1 ZINC000055145800 527236608 /nfs/dbraw/zinc/23/66/08/527236608.db2.gz RICWUZLFEHYQOM-STQMWFEESA-N 2 2 269.389 0.200 10 0 CCAELP C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[NH2+]Cc3ccccc32)C1 ZINC000091669496 349473092 /nfs/dbraw/zinc/47/30/92/349473092.db2.gz PQEZLMULDSABHO-DZGCQCFKSA-N 2 2 289.379 0.320 10 0 CCAELP C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[NH2+]Cc3ccccc32)C1 ZINC000091669496 349473095 /nfs/dbraw/zinc/47/30/95/349473095.db2.gz PQEZLMULDSABHO-DZGCQCFKSA-N 2 2 289.379 0.320 10 0 CCAELP [NH3+][C@@H]1CC[C@H](C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000091540679 349466755 /nfs/dbraw/zinc/46/67/55/349466755.db2.gz VZCUIVAZLHTUCX-XQQFMLRXSA-N 2 2 267.373 0.047 10 0 CCAELP C[N@@H+]1CCO[C@H](CNC(=O)NCC[NH+]2CCCCC2)C1 ZINC000105064880 349720057 /nfs/dbraw/zinc/72/00/57/349720057.db2.gz BHGMFMRLKQXFBX-CYBMUJFWSA-N 2 2 284.404 0.102 10 0 CCAELP C[N@H+]1CCO[C@H](CNC(=O)NCC[NH+]2CCCCC2)C1 ZINC000105064880 349720062 /nfs/dbraw/zinc/72/00/62/349720062.db2.gz BHGMFMRLKQXFBX-CYBMUJFWSA-N 2 2 284.404 0.102 10 0 CCAELP C[C@@H](CNC(=O)NC[C@@H]1C[N@H+](C)CCO1)[NH+](C)C1CC1 ZINC000105263664 349721999 /nfs/dbraw/zinc/72/19/99/349721999.db2.gz DHYGJHNDNGZGFW-WCQYABFASA-N 2 2 284.404 0.099 10 0 CCAELP C[C@@H](CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1)[NH+](C)C1CC1 ZINC000105263664 349722001 /nfs/dbraw/zinc/72/20/01/349722001.db2.gz DHYGJHNDNGZGFW-WCQYABFASA-N 2 2 284.404 0.099 10 0 CCAELP C[C@@H](CNC(=O)NC[C@@H]1C[NH+](C)CCO1)[N@H+](C)C1CC1 ZINC000105263664 349722005 /nfs/dbraw/zinc/72/20/05/349722005.db2.gz DHYGJHNDNGZGFW-WCQYABFASA-N 2 2 284.404 0.099 10 0 CCAELP C[C@@H](CNC(=O)NC[C@@H]1C[NH+](C)CCO1)[N@@H+](C)C1CC1 ZINC000105263664 349722007 /nfs/dbraw/zinc/72/20/07/349722007.db2.gz DHYGJHNDNGZGFW-WCQYABFASA-N 2 2 284.404 0.099 10 0 CCAELP C[C@@H](C(=O)N1CC[C@H]([NH3+])C(C)(C)C1)[NH+]1CCOCC1 ZINC000261919782 137025928 /nfs/dbraw/zinc/02/59/28/137025928.db2.gz UWLDYLKTDRMKPO-RYUDHWBXSA-N 2 2 269.389 0.293 10 0 CCAELP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1csc(C2CC2)n1 ZINC000263316690 137063896 /nfs/dbraw/zinc/06/38/96/137063896.db2.gz ZNCUZWRDYAHBIB-MWLCHTKSSA-N 2 2 253.371 0.690 10 0 CCAELP CC(C)c1cnc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)s1 ZINC000263193521 137060044 /nfs/dbraw/zinc/06/00/44/137060044.db2.gz IDRZEKREXABZKD-VHSXEESVSA-N 2 2 255.387 0.936 10 0 CCAELP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000263201391 137060136 /nfs/dbraw/zinc/06/01/36/137060136.db2.gz JBORQYWVGAXWFV-BXKDBHETSA-N 2 2 280.759 0.658 10 0 CCAELP C[NH2+][C@H](C)C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000054076446 348540905 /nfs/dbraw/zinc/54/09/05/348540905.db2.gz XAVHBDKDLOMSRV-LLVKDONJSA-N 2 2 278.356 0.142 10 0 CCAELP C[C@@H](C(=O)Nc1c[nH+]c2n1CCCC2)N1CC[NH+](C)CC1 ZINC000067673177 348781678 /nfs/dbraw/zinc/78/16/78/348781678.db2.gz VJFDAUYCZZBGBG-LBPRGKRZSA-N 2 2 291.399 0.794 10 0 CCAELP CC[NH+](CC)CC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000068064565 348796018 /nfs/dbraw/zinc/79/60/18/348796018.db2.gz RQQWJSDEAPVZPP-GFCCVEGCSA-N 2 2 257.378 0.165 10 0 CCAELP CC(C)Oc1cc(N2CC[N@H+](C)C[C@@H]2C[NH3+])ncn1 ZINC000122787243 350069309 /nfs/dbraw/zinc/06/93/09/350069309.db2.gz DICYTFOPVDHPHC-NSHDSACASA-N 2 2 265.361 0.343 10 0 CCAELP CC(C)Oc1cc(N2CC[N@@H+](C)C[C@@H]2C[NH3+])ncn1 ZINC000122787243 350069311 /nfs/dbraw/zinc/06/93/11/350069311.db2.gz DICYTFOPVDHPHC-NSHDSACASA-N 2 2 265.361 0.343 10 0 CCAELP C[C@H](Cn1cc[nH+]c1)NC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000129615370 350218851 /nfs/dbraw/zinc/21/88/51/350218851.db2.gz LNPVLZMZGMPQAD-GFCCVEGCSA-N 2 2 279.388 0.072 10 0 CCAELP CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@@H]2C[NH+](C)CCO2)C1 ZINC000105180060 186044974 /nfs/dbraw/zinc/04/49/74/186044974.db2.gz ZMPWOGFEQNMRAA-ZIAGYGMSSA-N 2 2 298.431 0.348 10 0 CCAELP CCC[N@H+]1CC[C@H](CNC(=O)NC[C@@H]2C[NH+](C)CCO2)C1 ZINC000105180060 186044975 /nfs/dbraw/zinc/04/49/75/186044975.db2.gz ZMPWOGFEQNMRAA-ZIAGYGMSSA-N 2 2 298.431 0.348 10 0 CCAELP CCC[NH+]1CC[C@H](CNC(=O)NC[C@@H]2C[N@H+](C)CCO2)C1 ZINC000105180060 186044977 /nfs/dbraw/zinc/04/49/77/186044977.db2.gz ZMPWOGFEQNMRAA-ZIAGYGMSSA-N 2 2 298.431 0.348 10 0 CCAELP CCC[NH+]1CC[C@H](CNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000105180060 186044979 /nfs/dbraw/zinc/04/49/79/186044979.db2.gz ZMPWOGFEQNMRAA-ZIAGYGMSSA-N 2 2 298.431 0.348 10 0 CCAELP CC[C@@H]1CN(Cc2[nH+]ccn2C)CC[N@@H+]1CCOC ZINC000105837058 186075452 /nfs/dbraw/zinc/07/54/52/186075452.db2.gz PYVOORGJKNWUJR-CYBMUJFWSA-N 2 2 266.389 0.963 10 0 CCAELP CC[C@@H]1CN(Cc2[nH+]ccn2C)CC[N@H+]1CCOC ZINC000105837058 186075453 /nfs/dbraw/zinc/07/54/53/186075453.db2.gz PYVOORGJKNWUJR-CYBMUJFWSA-N 2 2 266.389 0.963 10 0 CCAELP CCOCC[N@@H+]1CCN(C(=O)[C@]2(F)CC[NH2+]C2)C[C@@H]1C ZINC000168052601 350819465 /nfs/dbraw/zinc/81/94/65/350819465.db2.gz FVIVUPSWADPURS-JSGCOSHPSA-N 2 2 287.379 0.257 10 0 CCAELP CCOCC[N@H+]1CCN(C(=O)[C@]2(F)CC[NH2+]C2)C[C@@H]1C ZINC000168052601 350819467 /nfs/dbraw/zinc/81/94/67/350819467.db2.gz FVIVUPSWADPURS-JSGCOSHPSA-N 2 2 287.379 0.257 10 0 CCAELP C[C@@H](C(=O)NC[C@@H]1C[NH+](C)CCO1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000171286632 350898500 /nfs/dbraw/zinc/89/85/00/350898500.db2.gz ZWIUEGHAVAOUJN-RFQIPJPRSA-N 2 2 283.416 0.695 10 0 CCAELP C[C@@H](C(=O)NC[C@@H]1C[NH+](C)CCO1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000171286632 350898502 /nfs/dbraw/zinc/89/85/02/350898502.db2.gz ZWIUEGHAVAOUJN-RFQIPJPRSA-N 2 2 283.416 0.695 10 0 CCAELP C[C@@H](C(=O)NC[C@@H]1C[N@H+](C)CCO1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000171286632 350898507 /nfs/dbraw/zinc/89/85/07/350898507.db2.gz ZWIUEGHAVAOUJN-RFQIPJPRSA-N 2 2 283.416 0.695 10 0 CCAELP C[C@@H](C(=O)NC[C@@H]1C[N@@H+](C)CCO1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000171286632 350898509 /nfs/dbraw/zinc/89/85/09/350898509.db2.gz ZWIUEGHAVAOUJN-RFQIPJPRSA-N 2 2 283.416 0.695 10 0 CCAELP O=C([C@H]1CSC[NH2+]1)N1CCC[N@@H+](C2CC2)CC1 ZINC000178747983 351244928 /nfs/dbraw/zinc/24/49/28/351244928.db2.gz MVOAJVRYQJHZPC-LLVKDONJSA-N 2 2 255.387 0.346 10 0 CCAELP O=C([C@H]1CSC[NH2+]1)N1CCC[N@H+](C2CC2)CC1 ZINC000178747983 351244932 /nfs/dbraw/zinc/24/49/32/351244932.db2.gz MVOAJVRYQJHZPC-LLVKDONJSA-N 2 2 255.387 0.346 10 0 CCAELP C[N@H+]1C[C@@H]2C[NH+]([C@@H](C(N)=O)c3ccccc3)C[C@@H]2C1 ZINC000193618832 351836127 /nfs/dbraw/zinc/83/61/27/351836127.db2.gz YDVMVIJIMDYQGQ-HZSPNIEDSA-N 2 2 259.353 0.706 10 0 CCAELP C[N@@H+]1C[C@@H]2C[NH+]([C@@H](C(N)=O)c3ccccc3)C[C@@H]2C1 ZINC000193618832 351836128 /nfs/dbraw/zinc/83/61/28/351836128.db2.gz YDVMVIJIMDYQGQ-HZSPNIEDSA-N 2 2 259.353 0.706 10 0 CCAELP C[NH+]1C[C@@H]2C[N@H+]([C@@H](C(N)=O)c3ccccc3)C[C@@H]2C1 ZINC000193618832 351836129 /nfs/dbraw/zinc/83/61/29/351836129.db2.gz YDVMVIJIMDYQGQ-HZSPNIEDSA-N 2 2 259.353 0.706 10 0 CCAELP C[NH+]1C[C@@H]2C[N@@H+]([C@@H](C(N)=O)c3ccccc3)C[C@@H]2C1 ZINC000193618832 351836130 /nfs/dbraw/zinc/83/61/30/351836130.db2.gz YDVMVIJIMDYQGQ-HZSPNIEDSA-N 2 2 259.353 0.706 10 0 CCAELP C[NH+]1CC2C[NH+](C)CC(C1)C2(O)c1cccc(O)c1 ZINC000217033809 351943902 /nfs/dbraw/zinc/94/39/02/351943902.db2.gz FJJKYQQUDWQDDY-UHFFFAOYSA-N 2 2 262.353 0.703 10 0 CCAELP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000236938802 352229696 /nfs/dbraw/zinc/22/96/96/352229696.db2.gz USYONACQHLIRPW-KGLIPLIRSA-N 2 2 297.443 0.992 10 0 CCAELP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000236938802 352229699 /nfs/dbraw/zinc/22/96/99/352229699.db2.gz USYONACQHLIRPW-KGLIPLIRSA-N 2 2 297.443 0.992 10 0 CCAELP CC[C@@H]1CN([C@H](C)C[NH+]2CCOCC2)CC[N@@H+]1CCOC ZINC000246196423 352353436 /nfs/dbraw/zinc/35/34/36/352353436.db2.gz XKZTXDSFPUGDHI-HZPDHXFCSA-N 2 2 299.459 0.750 10 0 CCAELP CC[C@@H]1CN([C@H](C)C[NH+]2CCOCC2)CC[N@H+]1CCOC ZINC000246196423 352353441 /nfs/dbraw/zinc/35/34/41/352353441.db2.gz XKZTXDSFPUGDHI-HZPDHXFCSA-N 2 2 299.459 0.750 10 0 CCAELP COCCCNC(=O)C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000246232417 352356174 /nfs/dbraw/zinc/35/61/74/352356174.db2.gz GIHPZRXNNWHXAK-UONOGXRCSA-N 2 2 294.399 0.919 10 0 CCAELP COCCCNC(=O)C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000246232417 352356177 /nfs/dbraw/zinc/35/61/77/352356177.db2.gz GIHPZRXNNWHXAK-UONOGXRCSA-N 2 2 294.399 0.919 10 0 CCAELP C[N@@H+]1CCO[C@H](CNC(=O)N2CC[NH+]3CCCC[C@H]3C2)C1 ZINC000246323255 352360899 /nfs/dbraw/zinc/36/08/99/352360899.db2.gz AFVOBVXSROTRQU-UONOGXRCSA-N 2 2 296.415 0.197 10 0 CCAELP C[N@H+]1CCO[C@H](CNC(=O)N2CC[NH+]3CCCC[C@H]3C2)C1 ZINC000246323255 352360903 /nfs/dbraw/zinc/36/09/03/352360903.db2.gz AFVOBVXSROTRQU-UONOGXRCSA-N 2 2 296.415 0.197 10 0 CCAELP C[NH+]1CCO[C@H](CNC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)C1 ZINC000246323255 352360907 /nfs/dbraw/zinc/36/09/07/352360907.db2.gz AFVOBVXSROTRQU-UONOGXRCSA-N 2 2 296.415 0.197 10 0 CCAELP C[NH+]1CCO[C@H](CNC(=O)N2CC[N@H+]3CCCC[C@H]3C2)C1 ZINC000246323255 352360914 /nfs/dbraw/zinc/36/09/14/352360914.db2.gz AFVOBVXSROTRQU-UONOGXRCSA-N 2 2 296.415 0.197 10 0 CCAELP COCC[N@@H+]1CCN(CC[NH+]2CCO[C@@H](C)C2)C[C@H]1C ZINC000249104671 352477450 /nfs/dbraw/zinc/47/74/50/352477450.db2.gz WXDXUBYCDHTSAP-CABCVRRESA-N 2 2 285.432 0.360 10 0 CCAELP COCC[N@H+]1CCN(CC[NH+]2CCO[C@@H](C)C2)C[C@H]1C ZINC000249104671 352477453 /nfs/dbraw/zinc/47/74/53/352477453.db2.gz WXDXUBYCDHTSAP-CABCVRRESA-N 2 2 285.432 0.360 10 0 CCAELP COCC[NH+]1CCN(CC[N@@H+]2CCO[C@@H](C)C2)C[C@H]1C ZINC000249104671 352477456 /nfs/dbraw/zinc/47/74/56/352477456.db2.gz WXDXUBYCDHTSAP-CABCVRRESA-N 2 2 285.432 0.360 10 0 CCAELP COCC[NH+]1CCN(CC[N@H+]2CCO[C@@H](C)C2)C[C@H]1C ZINC000249104671 352477464 /nfs/dbraw/zinc/47/74/64/352477464.db2.gz WXDXUBYCDHTSAP-CABCVRRESA-N 2 2 285.432 0.360 10 0 CCAELP C[N@@H+]1CCO[C@H](C(=O)NCc2cn3c([nH+]2)CCCC3)C1 ZINC000266862825 352727318 /nfs/dbraw/zinc/72/73/18/352727318.db2.gz VEXSEGUNIGMCBA-LBPRGKRZSA-N 2 2 278.356 0.166 10 0 CCAELP C[N@H+]1CCO[C@H](C(=O)NCc2cn3c([nH+]2)CCCC3)C1 ZINC000266862825 352727320 /nfs/dbraw/zinc/72/73/20/352727320.db2.gz VEXSEGUNIGMCBA-LBPRGKRZSA-N 2 2 278.356 0.166 10 0 CCAELP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](C(=O)OC)C1 ZINC000310747584 354191905 /nfs/dbraw/zinc/19/19/05/354191905.db2.gz JFJQHXNUSFQRFA-VXGBXAGGSA-N 2 2 258.362 0.184 10 0 CCAELP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](C(=O)OC)C1 ZINC000310747584 354191907 /nfs/dbraw/zinc/19/19/07/354191907.db2.gz JFJQHXNUSFQRFA-VXGBXAGGSA-N 2 2 258.362 0.184 10 0 CCAELP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](C(=O)OC)C1 ZINC000310747584 354191912 /nfs/dbraw/zinc/19/19/12/354191912.db2.gz JFJQHXNUSFQRFA-VXGBXAGGSA-N 2 2 258.362 0.184 10 0 CCAELP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](C(=O)OC)C1 ZINC000310747584 354191915 /nfs/dbraw/zinc/19/19/15/354191915.db2.gz JFJQHXNUSFQRFA-VXGBXAGGSA-N 2 2 258.362 0.184 10 0 CCAELP O[C@]1(C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)CCOC1 ZINC000329196568 202227932 /nfs/dbraw/zinc/22/79/32/202227932.db2.gz VWKDXKBPGITAQS-INIZCTEOSA-N 2 2 291.395 0.787 10 0 CCAELP CCCNC(=O)CN(C)C(=O)C[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261788862 283364660 /nfs/dbraw/zinc/36/46/60/283364660.db2.gz XQAUTARWHPQIFW-GFCCVEGCSA-N 2 2 298.431 0.030 10 0 CCAELP CCCNC(=O)CN(C)C(=O)C[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261788862 283364662 /nfs/dbraw/zinc/36/46/62/283364662.db2.gz XQAUTARWHPQIFW-GFCCVEGCSA-N 2 2 298.431 0.030 10 0 CCAELP CO[C@@H]1C[N@H+](CCn2nc(C)cc2C)[C@@](C)(C[NH3+])C1 ZINC000630360006 370062130 /nfs/dbraw/zinc/06/21/30/370062130.db2.gz DPAIYVJJWRGJKU-UONOGXRCSA-N 2 2 266.389 0.938 10 0 CCAELP CO[C@@H]1C[N@@H+](CCn2nc(C)cc2C)[C@@](C)(C[NH3+])C1 ZINC000630360006 370062133 /nfs/dbraw/zinc/06/21/33/370062133.db2.gz DPAIYVJJWRGJKU-UONOGXRCSA-N 2 2 266.389 0.938 10 0 CCAELP CO[C@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)[C@@](C)(C[NH3+])C1 ZINC000630367054 370067943 /nfs/dbraw/zinc/06/79/43/370067943.db2.gz ZFILXWLWLYPBFT-UKRRQHHQSA-N 2 2 277.368 0.724 10 0 CCAELP CO[C@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)[C@@](C)(C[NH3+])C1 ZINC000630367054 370067946 /nfs/dbraw/zinc/06/79/46/370067946.db2.gz ZFILXWLWLYPBFT-UKRRQHHQSA-N 2 2 277.368 0.724 10 0 CCAELP CO[C@H]1C[N@H+](CCc2ccnn2C)[C@@](C)(C[NH3+])C1 ZINC000634688183 372133065 /nfs/dbraw/zinc/13/30/65/372133065.db2.gz KWPUAMBUTPFFCH-CHWSQXEVSA-N 2 2 252.362 0.401 10 0 CCAELP CO[C@H]1C[N@@H+](CCc2ccnn2C)[C@@](C)(C[NH3+])C1 ZINC000634688183 372133072 /nfs/dbraw/zinc/13/30/72/372133072.db2.gz KWPUAMBUTPFFCH-CHWSQXEVSA-N 2 2 252.362 0.401 10 0 CCAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+]([C@H]2CCNC2=O)C1 ZINC000248638074 285072230 /nfs/dbraw/zinc/07/22/30/285072230.db2.gz ATLXXFATDZQLEH-CABCVRRESA-N 2 2 288.395 0.724 10 0 CCAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC000248638074 285072233 /nfs/dbraw/zinc/07/22/33/285072233.db2.gz ATLXXFATDZQLEH-CABCVRRESA-N 2 2 288.395 0.724 10 0 CCAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC000248638074 285072235 /nfs/dbraw/zinc/07/22/35/285072235.db2.gz ATLXXFATDZQLEH-CABCVRRESA-N 2 2 288.395 0.724 10 0 CCAELP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000335323456 208187713 /nfs/dbraw/zinc/18/77/13/208187713.db2.gz XDYUXYOSCREVFN-WDEREUQCSA-N 2 2 275.343 0.784 10 0 CCAELP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000335323456 208187719 /nfs/dbraw/zinc/18/77/19/208187719.db2.gz XDYUXYOSCREVFN-WDEREUQCSA-N 2 2 275.343 0.784 10 0 CCAELP CCC[C@@H](C(=O)N1CC[N@H+](CCO)[C@@H](C)C1)[NH+](C)C ZINC000249839806 285140792 /nfs/dbraw/zinc/14/07/92/285140792.db2.gz FUXOWOWDGLABKU-STQMWFEESA-N 2 2 271.405 0.242 10 0 CCAELP CCC[C@@H](C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1)[NH+](C)C ZINC000249839806 285140794 /nfs/dbraw/zinc/14/07/94/285140794.db2.gz FUXOWOWDGLABKU-STQMWFEESA-N 2 2 271.405 0.242 10 0 CCAELP C[N@H+]1C[C@@H]2C[NH+](CC(=O)N3CCCCCC3)C[C@@H]2C1 ZINC000193637831 389075308 /nfs/dbraw/zinc/07/53/08/389075308.db2.gz VUGKGRGRTMTUIM-OKILXGFUSA-N 2 2 265.401 0.882 10 0 CCAELP C[N@@H+]1C[C@@H]2C[NH+](CC(=O)N3CCCCCC3)C[C@@H]2C1 ZINC000193637831 389075311 /nfs/dbraw/zinc/07/53/11/389075311.db2.gz VUGKGRGRTMTUIM-OKILXGFUSA-N 2 2 265.401 0.882 10 0 CCAELP C[NH+]1C[C@@H]2C[N@@H+](CC(=O)N3CCCCCC3)C[C@@H]2C1 ZINC000193637831 389075314 /nfs/dbraw/zinc/07/53/14/389075314.db2.gz VUGKGRGRTMTUIM-OKILXGFUSA-N 2 2 265.401 0.882 10 0 CCAELP C[NH+]1C[C@@H]2C[N@H+](CC(=O)N3CCCCCC3)C[C@@H]2C1 ZINC000193637831 389075316 /nfs/dbraw/zinc/07/53/16/389075316.db2.gz VUGKGRGRTMTUIM-OKILXGFUSA-N 2 2 265.401 0.882 10 0 CCAELP CC[C@@H]1CN([C@H](C)C[NH+]2CCOCC2)CC[N@@H+]1C[C@H](C)O ZINC000246172165 389224756 /nfs/dbraw/zinc/22/47/56/389224756.db2.gz VKSPZBKDUHNWGA-OWCLPIDISA-N 2 2 299.459 0.484 10 0 CCAELP CC[C@@H]1CN([C@H](C)C[NH+]2CCOCC2)CC[N@H+]1C[C@H](C)O ZINC000246172165 389224759 /nfs/dbraw/zinc/22/47/59/389224759.db2.gz VKSPZBKDUHNWGA-OWCLPIDISA-N 2 2 299.459 0.484 10 0 CCAELP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C1(C)C[NH2+]C1 ZINC000333309411 389409301 /nfs/dbraw/zinc/40/93/01/389409301.db2.gz RLTKPLQWDBRGKL-UHFFFAOYSA-N 2 2 290.367 0.775 10 0 CCAELP CC[C@H](O)C[NH+]1CCN(CCn2cc[nH+]c2)CC1 ZINC000161938310 389412110 /nfs/dbraw/zinc/41/21/10/389412110.db2.gz DWFWXDUTEYXUFJ-ZDUSSCGKSA-N 2 2 252.362 0.272 10 0 CCAELP CC[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H]2C[NH+](C)CCO2)C1 ZINC000332700055 389358579 /nfs/dbraw/zinc/35/85/79/389358579.db2.gz ASZSJLBKJOODJE-UONOGXRCSA-N 2 2 298.431 0.348 10 0 CCAELP CC[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H]2C[NH+](C)CCO2)C1 ZINC000332700055 389358583 /nfs/dbraw/zinc/35/85/83/389358583.db2.gz ASZSJLBKJOODJE-UONOGXRCSA-N 2 2 298.431 0.348 10 0 CCAELP CC[NH+]1CCC[C@@H](CNC(=O)NC[C@@H]2C[N@H+](C)CCO2)C1 ZINC000332700055 389358586 /nfs/dbraw/zinc/35/85/86/389358586.db2.gz ASZSJLBKJOODJE-UONOGXRCSA-N 2 2 298.431 0.348 10 0 CCAELP CC[NH+]1CCC[C@@H](CNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000332700055 389358589 /nfs/dbraw/zinc/35/85/89/389358589.db2.gz ASZSJLBKJOODJE-UONOGXRCSA-N 2 2 298.431 0.348 10 0 CCAELP C[C@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)CCS1 ZINC000180473556 389670993 /nfs/dbraw/zinc/67/09/93/389670993.db2.gz GGQWWBIZAPPSPL-NSHDSACASA-N 2 2 257.403 0.198 10 0 CCAELP C[C@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)CCS1 ZINC000180473556 389670995 /nfs/dbraw/zinc/67/09/95/389670995.db2.gz GGQWWBIZAPPSPL-NSHDSACASA-N 2 2 257.403 0.198 10 0 CCAELP CCOC(=O)CC[C@@H](O)C[NH2+][C@@H]1CC[N@H+](CC)C1 ZINC000389384047 389771913 /nfs/dbraw/zinc/77/19/13/389771913.db2.gz YDNRMVZUTKJDDR-VXGBXAGGSA-N 2 2 258.362 0.374 10 0 CCAELP CCOC(=O)CC[C@@H](O)C[NH2+][C@@H]1CC[N@@H+](CC)C1 ZINC000389384047 389771916 /nfs/dbraw/zinc/77/19/16/389771916.db2.gz YDNRMVZUTKJDDR-VXGBXAGGSA-N 2 2 258.362 0.374 10 0 CCAELP Nc1cc(C[NH2+][C@@H]2CCC[C@@H]2[N@@H+]2CC[C@H](O)C2)ccn1 ZINC000643960416 390609118 /nfs/dbraw/zinc/60/91/18/390609118.db2.gz VNAMUINFJVGOBT-MJBXVCDLSA-N 2 2 276.384 0.571 10 0 CCAELP Nc1cc(C[NH2+][C@@H]2CCC[C@@H]2[N@H+]2CC[C@H](O)C2)ccn1 ZINC000643960416 390609122 /nfs/dbraw/zinc/60/91/22/390609122.db2.gz VNAMUINFJVGOBT-MJBXVCDLSA-N 2 2 276.384 0.571 10 0 CCAELP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCn1cc[nH+]c1 ZINC000247468092 131104021 /nfs/dbraw/zinc/10/40/21/131104021.db2.gz RKDLDCQIANSQRC-STQMWFEESA-N 2 2 277.372 0.761 10 0 CCAELP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCn1cc[nH+]c1 ZINC000247468092 131104023 /nfs/dbraw/zinc/10/40/23/131104023.db2.gz RKDLDCQIANSQRC-STQMWFEESA-N 2 2 277.372 0.761 10 0 CCAELP O=C(NCc1c[nH+]c[nH]1)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653150780 412244084 /nfs/dbraw/zinc/24/40/84/412244084.db2.gz OWZJHTYVWWAWLE-HTQZYQBOSA-N 2 2 262.235 0.424 10 0 CCAELP O=C(NCc1c[nH]c[nH+]1)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653150780 412244089 /nfs/dbraw/zinc/24/40/89/412244089.db2.gz OWZJHTYVWWAWLE-HTQZYQBOSA-N 2 2 262.235 0.424 10 0 CCAELP O=C(N[C@@H]1C[C@H]2C[C@@H]1C[NH2+]2)c1cc2[nH+]ccn2cn1 ZINC000039073355 174162568 /nfs/dbraw/zinc/16/25/68/174162568.db2.gz LWZZVWDUESWLSQ-OPRDCNLKSA-N 2 2 257.297 0.210 10 0 CCAELP CC[NH2+][C@](C)(CC[N@H+](C)C[C@@H]1CC[NH+](C)C1)C(N)=O ZINC000071191025 176068290 /nfs/dbraw/zinc/06/82/90/176068290.db2.gz KXWWIVYHAQOSHQ-TZMCWYRMSA-N 3 2 270.421 0.114 10 0 CCAELP CC[NH2+][C@](C)(CC[N@@H+](C)C[C@@H]1CC[NH+](C)C1)C(N)=O ZINC000071191025 176068292 /nfs/dbraw/zinc/06/82/92/176068292.db2.gz KXWWIVYHAQOSHQ-TZMCWYRMSA-N 3 2 270.421 0.114 10 0 CCAELP CC[NH2+][C@](C)(CC[NH+](C)C[C@@H]1CC[N@H+](C)C1)C(N)=O ZINC000071191025 176068294 /nfs/dbraw/zinc/06/82/94/176068294.db2.gz KXWWIVYHAQOSHQ-TZMCWYRMSA-N 3 2 270.421 0.114 10 0 CCAELP CC[NH2+][C@](C)(CC[NH+](C)C[C@@H]1CC[N@@H+](C)C1)C(N)=O ZINC000071191025 176068295 /nfs/dbraw/zinc/06/82/95/176068295.db2.gz KXWWIVYHAQOSHQ-TZMCWYRMSA-N 3 2 270.421 0.114 10 0 CCAELP C[C@]1(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)CCC[NH2+]1 ZINC000079521467 544473550 /nfs/dbraw/zinc/47/35/50/544473550.db2.gz HEQRNWATEBLJEW-TZMCWYRMSA-N 2 2 267.373 0.062 10 0 CCAELP CC[C@H]1CN(C(=O)c2ccc(C[NH3+])o2)CC[N@@H+]1C[C@@H](C)O ZINC000168005234 544729001 /nfs/dbraw/zinc/72/90/01/544729001.db2.gz QKIWAHCOCQBBPE-NEPJUHHUSA-N 2 2 295.383 0.656 10 0 CCAELP CC[C@H]1CN(C(=O)c2ccc(C[NH3+])o2)CC[N@H+]1C[C@@H](C)O ZINC000168005234 544729004 /nfs/dbraw/zinc/72/90/04/544729004.db2.gz QKIWAHCOCQBBPE-NEPJUHHUSA-N 2 2 295.383 0.656 10 0 CCAELP CCOc1cc(C)nc(N2CC[NH+](CCC[NH3+])CC2)n1 ZINC000169190875 544732615 /nfs/dbraw/zinc/73/26/15/544732615.db2.gz GOVWOPOYYORAEQ-UHFFFAOYSA-N 2 2 279.388 0.655 10 0 CCAELP C[C@H]1C[C@@H]1NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000179310678 544750932 /nfs/dbraw/zinc/75/09/32/544750932.db2.gz ZGBYVEHFFVOYBC-AAEUAGOBSA-N 2 2 268.405 0.720 10 0 CCAELP CC[N@@H+]1CCO[C@H](CN[C@H]2C[C@@H](C)[NH+](C3CC3)C2)C1 ZINC000252728064 544931495 /nfs/dbraw/zinc/93/14/95/544931495.db2.gz XOVZKDGWYHPCMT-VNHYZAJKSA-N 2 2 267.417 0.922 10 0 CCAELP CC[N@H+]1CCO[C@H](CN[C@H]2C[C@@H](C)[NH+](C3CC3)C2)C1 ZINC000252728064 544931501 /nfs/dbraw/zinc/93/15/01/544931501.db2.gz XOVZKDGWYHPCMT-VNHYZAJKSA-N 2 2 267.417 0.922 10 0 CCAELP CC[NH+]1CCO[C@H](CN[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)C1 ZINC000252728064 544931506 /nfs/dbraw/zinc/93/15/06/544931506.db2.gz XOVZKDGWYHPCMT-VNHYZAJKSA-N 2 2 267.417 0.922 10 0 CCAELP CC[NH+]1CCO[C@H](CN[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)C1 ZINC000252728064 544931509 /nfs/dbraw/zinc/93/15/09/544931509.db2.gz XOVZKDGWYHPCMT-VNHYZAJKSA-N 2 2 267.417 0.922 10 0 CCAELP COC[C@H](O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000127010263 277264724 /nfs/dbraw/zinc/26/47/24/277264724.db2.gz GBEFJAPIFUBYJM-CHWSQXEVSA-N 2 2 265.357 0.823 10 0 CCAELP COC[C@H](O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000127010263 277264726 /nfs/dbraw/zinc/26/47/26/277264726.db2.gz GBEFJAPIFUBYJM-CHWSQXEVSA-N 2 2 265.357 0.823 10 0 CCAELP C[C@H](O)C[N@@H+]1CCN([C@@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC000246130200 290116594 /nfs/dbraw/zinc/11/65/94/290116594.db2.gz RIPWVFUNTUOUTB-ZNMIVQPWSA-N 2 2 285.432 0.094 10 0 CCAELP C[C@H](O)C[N@H+]1CCN([C@@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC000246130200 290116596 /nfs/dbraw/zinc/11/65/96/290116596.db2.gz RIPWVFUNTUOUTB-ZNMIVQPWSA-N 2 2 285.432 0.094 10 0 CCAELP CCC[NH2+][C@@H](CC[N@@H+]1CCO[C@H](CC)C1)C(N)=O ZINC000062448664 520001526 /nfs/dbraw/zinc/00/15/26/520001526.db2.gz OUHPMMPYCVNWOE-NEPJUHHUSA-N 2 2 257.378 0.341 10 0 CCAELP CCC[NH2+][C@@H](CC[N@H+]1CCO[C@H](CC)C1)C(N)=O ZINC000062448664 520001533 /nfs/dbraw/zinc/00/15/33/520001533.db2.gz OUHPMMPYCVNWOE-NEPJUHHUSA-N 2 2 257.378 0.341 10 0 CCAELP CCOC(=O)[C@H]([NH3+])CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062982724 521260276 /nfs/dbraw/zinc/26/02/76/521260276.db2.gz HQDRYKXJMRTVKI-QWHCGFSZSA-N 2 2 269.389 0.437 10 0 CCAELP CCC[C@](C)([NH3+])C[NH+]1CCN(CC[NH+](C)C)CC1 ZINC000061652510 521278464 /nfs/dbraw/zinc/27/84/64/521278464.db2.gz NLIKGNGAYSWRKC-AWEZNQCLSA-N 3 2 256.438 0.683 10 0 CCAELP CC[NH+]1CCN(S(=O)(=O)C[C@H]2CCCC[NH2+]2)CC1 ZINC000049630899 521690000 /nfs/dbraw/zinc/69/00/00/521690000.db2.gz OLGKPNAYRNIWCF-GFCCVEGCSA-N 2 2 275.418 0.096 10 0 CCAELP COC[C@H](C)NC(=O)C[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000049291047 522603236 /nfs/dbraw/zinc/60/32/36/522603236.db2.gz RLVWUGGMAJLRAP-QWRGUYRKSA-N 2 2 254.334 0.012 10 0 CCAELP Cc1[nH]c(C[NH2+]Cc2ccc(S(N)(=O)=O)cc2)c[nH+]1 ZINC000054797931 526888413 /nfs/dbraw/zinc/88/84/13/526888413.db2.gz GTUNPXKPLNNIRW-UHFFFAOYSA-N 2 2 280.353 0.655 10 0 CCAELP [NH3+]CCN1CCC[N@H+](CCCn2cc[nH+]c2)CC1 ZINC000049327458 527185772 /nfs/dbraw/zinc/18/57/72/527185772.db2.gz GENHOBUUTLXQEM-UHFFFAOYSA-N 3 2 251.378 0.240 10 0 CCAELP [NH3+]CCN1CCC[N@@H+](CCCn2cc[nH+]c2)CC1 ZINC000049327458 527185779 /nfs/dbraw/zinc/18/57/79/527185779.db2.gz GENHOBUUTLXQEM-UHFFFAOYSA-N 3 2 251.378 0.240 10 0 CCAELP COC[C@H]([NH3+])C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000262328084 536860334 /nfs/dbraw/zinc/86/03/34/536860334.db2.gz RGHWVJTWTOBESQ-RYUDHWBXSA-N 2 2 280.372 0.175 10 0 CCAELP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](CCO)CC2)CC[N@@H+]1C ZINC000398959565 581206500 /nfs/dbraw/zinc/20/65/00/581206500.db2.gz LJIPIARBAGSTOE-TZMCWYRMSA-N 3 2 255.406 0.515 10 0 CCAELP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](CCO)CC2)CC[N@H+]1C ZINC000398959565 581206501 /nfs/dbraw/zinc/20/65/01/581206501.db2.gz LJIPIARBAGSTOE-TZMCWYRMSA-N 3 2 255.406 0.515 10 0 CCAELP C[C@@H]1C[C@H](NC2CC[NH+](CCO)CC2)CC[N@@H+]1C ZINC000398959565 581206505 /nfs/dbraw/zinc/20/65/05/581206505.db2.gz LJIPIARBAGSTOE-TZMCWYRMSA-N 2 2 255.406 0.515 10 0 CCAELP C[C@@H]1C[C@H](NC2CC[NH+](CCO)CC2)CC[N@H+]1C ZINC000398959565 581206508 /nfs/dbraw/zinc/20/65/08/581206508.db2.gz LJIPIARBAGSTOE-TZMCWYRMSA-N 2 2 255.406 0.515 10 0 CCAELP Cc1[nH+]ccn1CCCC[N@@H+]1CCOC[C@H]1C(N)=O ZINC000092229883 349486648 /nfs/dbraw/zinc/48/66/48/349486648.db2.gz IQIZMJLAEJWADM-LBPRGKRZSA-N 2 2 266.345 0.158 10 0 CCAELP Cc1[nH+]ccn1CCCC[N@H+]1CCOC[C@H]1C(N)=O ZINC000092229883 349486650 /nfs/dbraw/zinc/48/66/50/349486650.db2.gz IQIZMJLAEJWADM-LBPRGKRZSA-N 2 2 266.345 0.158 10 0 CCAELP CC[NH+]1CCN(c2nc[nH+]c(N3CCOCC3)c2N)CC1 ZINC000096282035 349619475 /nfs/dbraw/zinc/61/94/75/349619475.db2.gz LLLRPVJKFCWXLZ-UHFFFAOYSA-N 2 2 292.387 0.037 10 0 CCAELP CC[N@H+](CCNC(=O)NC[C@@H]1C[NH+](C)CCO1)C1CC1 ZINC000104797940 349719221 /nfs/dbraw/zinc/71/92/21/349719221.db2.gz UXOFXZGYWNKGEB-CYBMUJFWSA-N 2 2 284.404 0.101 10 0 CCAELP CC[N@@H+](CCNC(=O)NC[C@@H]1C[NH+](C)CCO1)C1CC1 ZINC000104797940 349719223 /nfs/dbraw/zinc/71/92/23/349719223.db2.gz UXOFXZGYWNKGEB-CYBMUJFWSA-N 2 2 284.404 0.101 10 0 CCAELP CC[NH+](CCNC(=O)NC[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC000104797940 349719225 /nfs/dbraw/zinc/71/92/25/349719225.db2.gz UXOFXZGYWNKGEB-CYBMUJFWSA-N 2 2 284.404 0.101 10 0 CCAELP CC[NH+](CCNC(=O)NC[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC000104797940 349719228 /nfs/dbraw/zinc/71/92/28/349719228.db2.gz UXOFXZGYWNKGEB-CYBMUJFWSA-N 2 2 284.404 0.101 10 0 CCAELP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000115822505 349861197 /nfs/dbraw/zinc/86/11/97/349861197.db2.gz PQTYRRXQBPQURW-ZIAGYGMSSA-N 2 2 298.431 0.300 10 0 CCAELP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000115822505 349861198 /nfs/dbraw/zinc/86/11/98/349861198.db2.gz PQTYRRXQBPQURW-ZIAGYGMSSA-N 2 2 298.431 0.300 10 0 CCAELP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000115822505 349861199 /nfs/dbraw/zinc/86/11/99/349861199.db2.gz PQTYRRXQBPQURW-ZIAGYGMSSA-N 2 2 298.431 0.300 10 0 CCAELP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000115822505 349861200 /nfs/dbraw/zinc/86/12/00/349861200.db2.gz PQTYRRXQBPQURW-ZIAGYGMSSA-N 2 2 298.431 0.300 10 0 CCAELP [NH3+]CCC[NH+]1CCN(CC(=O)c2ccccc2)CC1 ZINC000098130669 185692168 /nfs/dbraw/zinc/69/21/68/185692168.db2.gz MJHWPXOAXSPQON-UHFFFAOYSA-N 2 2 261.369 0.836 10 0 CCAELP C[C@@H](c1nnnn1C)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000189201455 136924409 /nfs/dbraw/zinc/92/44/09/136924409.db2.gz YPGSITXLEHZDIU-NSHDSACASA-N 2 2 289.387 0.959 10 0 CCAELP C[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C[C@@H]1[NH+]1CCOCC1 ZINC000261706077 137016460 /nfs/dbraw/zinc/01/64/60/137016460.db2.gz FXOVPWGHMKBXCX-TUVASFSCSA-N 2 2 295.427 0.541 10 0 CCAELP C[C@H](CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+])[NH+]1CCN(C)CC1 ZINC000261780794 137019402 /nfs/dbraw/zinc/01/94/02/137019402.db2.gz LDFBCCSOEUYIKR-MGPQQGTHSA-N 2 2 282.432 0.114 10 0 CCAELP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000261827892 137021506 /nfs/dbraw/zinc/02/15/06/137021506.db2.gz ADDQRBUUYSPQTR-MFKMUULPSA-N 3 2 278.381 0.604 10 0 CCAELP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cnc([C@@H]2CCCO2)s1 ZINC000263241457 137061382 /nfs/dbraw/zinc/06/13/82/137061382.db2.gz OREWIKMPCRYPNO-JLLWLGSASA-N 2 2 283.397 0.665 10 0 CCAELP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cnc(-c2ccccc2)[nH]1 ZINC000263208376 137060664 /nfs/dbraw/zinc/06/06/64/137060664.db2.gz KAFHGYCIZXYLJW-TZMCWYRMSA-N 2 2 272.352 0.747 10 0 CCAELP O=C(Nc1cccc(-n2cc[nH+]c2)c1)[C@H]1COCC[NH2+]1 ZINC000088358342 349361618 /nfs/dbraw/zinc/36/16/18/349361618.db2.gz KLVFNJHWJQIOON-CYBMUJFWSA-N 2 2 272.308 0.799 10 0 CCAELP C[C@@H](CNC(=O)N1CC[NH+](C2CC2)CC1)[NH+]1CCOCC1 ZINC000105124483 186043069 /nfs/dbraw/zinc/04/30/69/186043069.db2.gz LVZRQUSSYRNKOP-ZDUSSCGKSA-N 2 2 296.415 0.197 10 0 CCAELP CS(=O)(=O)NCC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000107300333 186167704 /nfs/dbraw/zinc/16/77/04/186167704.db2.gz ZIYOIGNSGPAVMQ-GFCCVEGCSA-N 2 2 298.412 0.365 10 0 CCAELP CS(=O)(=O)NCC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000107300333 186167706 /nfs/dbraw/zinc/16/77/06/186167706.db2.gz ZIYOIGNSGPAVMQ-GFCCVEGCSA-N 2 2 298.412 0.365 10 0 CCAELP CCC[C@H](C(=O)N(C)CC[NH+]1CCOCC1)[NH+](C)C ZINC000161961541 350732814 /nfs/dbraw/zinc/73/28/14/350732814.db2.gz GIYQJXISZVZDEG-CYBMUJFWSA-N 2 2 271.405 0.507 10 0 CCAELP Cn1cc(C[N@@H+]2CCCN(C(=O)C[NH+](C)C)CC2)cn1 ZINC000171599174 350919270 /nfs/dbraw/zinc/91/92/70/350919270.db2.gz FYNJAGOXINHXRF-UHFFFAOYSA-N 2 2 279.388 0.016 10 0 CCAELP Cn1cc(C[N@H+]2CCCN(C(=O)C[NH+](C)C)CC2)cn1 ZINC000171599174 350919272 /nfs/dbraw/zinc/91/92/72/350919272.db2.gz FYNJAGOXINHXRF-UHFFFAOYSA-N 2 2 279.388 0.016 10 0 CCAELP O=C(NCCCNc1cccc[nH+]1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188726636 351621696 /nfs/dbraw/zinc/62/16/96/351621696.db2.gz REOIQRLJSURRQP-WDEREUQCSA-N 2 2 266.320 0.700 10 0 CCAELP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193634173 351837169 /nfs/dbraw/zinc/83/71/69/351837169.db2.gz HOOZAUZJMSYANS-SDDRHHMPSA-N 2 2 296.415 0.493 10 0 CCAELP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193634173 351837174 /nfs/dbraw/zinc/83/71/74/351837174.db2.gz HOOZAUZJMSYANS-SDDRHHMPSA-N 2 2 296.415 0.493 10 0 CCAELP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193634173 351837178 /nfs/dbraw/zinc/83/71/78/351837178.db2.gz HOOZAUZJMSYANS-SDDRHHMPSA-N 2 2 296.415 0.493 10 0 CCAELP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193634173 351837180 /nfs/dbraw/zinc/83/71/80/351837180.db2.gz HOOZAUZJMSYANS-SDDRHHMPSA-N 2 2 296.415 0.493 10 0 CCAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCOCCO)C1 ZINC000195271236 351907143 /nfs/dbraw/zinc/90/71/43/351907143.db2.gz GLNCJURXBAEGQM-MRXNPFEDSA-N 2 2 293.411 0.844 10 0 CCAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCOCCO)C1 ZINC000195271236 351907144 /nfs/dbraw/zinc/90/71/44/351907144.db2.gz GLNCJURXBAEGQM-MRXNPFEDSA-N 2 2 293.411 0.844 10 0 CCAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](CCOCCO)C1 ZINC000195271236 351907145 /nfs/dbraw/zinc/90/71/45/351907145.db2.gz GLNCJURXBAEGQM-MRXNPFEDSA-N 2 2 293.411 0.844 10 0 CCAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](CCOCCO)C1 ZINC000195271236 351907146 /nfs/dbraw/zinc/90/71/46/351907146.db2.gz GLNCJURXBAEGQM-MRXNPFEDSA-N 2 2 293.411 0.844 10 0 CCAELP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H]2C[NH+](C)CCO2)C1 ZINC000246449749 352368128 /nfs/dbraw/zinc/36/81/28/352368128.db2.gz ONDONLHCKSROFE-STQMWFEESA-N 2 2 284.404 0.101 10 0 CCAELP CC[N@H+]1CCC[C@H](NC(=O)NC[C@H]2C[NH+](C)CCO2)C1 ZINC000246449749 352368129 /nfs/dbraw/zinc/36/81/29/352368129.db2.gz ONDONLHCKSROFE-STQMWFEESA-N 2 2 284.404 0.101 10 0 CCAELP CC[NH+]1CCC[C@H](NC(=O)NC[C@H]2C[N@H+](C)CCO2)C1 ZINC000246449749 352368133 /nfs/dbraw/zinc/36/81/33/352368133.db2.gz ONDONLHCKSROFE-STQMWFEESA-N 2 2 284.404 0.101 10 0 CCAELP CC[NH+]1CCC[C@H](NC(=O)NC[C@H]2C[N@@H+](C)CCO2)C1 ZINC000246449749 352368135 /nfs/dbraw/zinc/36/81/35/352368135.db2.gz ONDONLHCKSROFE-STQMWFEESA-N 2 2 284.404 0.101 10 0 CCAELP C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1n1cc[nH+]c1 ZINC000246819418 352384281 /nfs/dbraw/zinc/38/42/81/352384281.db2.gz AEFRVQLUMVTROY-MGPQQGTHSA-N 2 2 292.383 0.623 10 0 CCAELP C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1n1cc[nH+]c1 ZINC000246819418 352384282 /nfs/dbraw/zinc/38/42/82/352384282.db2.gz AEFRVQLUMVTROY-MGPQQGTHSA-N 2 2 292.383 0.623 10 0 CCAELP C[NH+](C)[C@H]1CCC[C@H](NC(=O)NC[C@@H]2C[N@H+](C)CCO2)C1 ZINC000247061626 352396702 /nfs/dbraw/zinc/39/67/02/352396702.db2.gz OCGWSRPBZRTPFU-MELADBBJSA-N 2 2 298.431 0.489 10 0 CCAELP C[NH+](C)[C@H]1CCC[C@H](NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000247061626 352396705 /nfs/dbraw/zinc/39/67/05/352396705.db2.gz OCGWSRPBZRTPFU-MELADBBJSA-N 2 2 298.431 0.489 10 0 CCAELP CC[N@H+](CC(=O)N1CCN(C)[C@@H](c2[nH]cc[nH+]2)C1)C1CC1 ZINC000328629815 354242099 /nfs/dbraw/zinc/24/20/99/354242099.db2.gz PEYOFBYNAPQWOU-CYBMUJFWSA-N 2 2 291.399 0.709 10 0 CCAELP CC[N@@H+](CC(=O)N1CCN(C)[C@@H](c2[nH]cc[nH+]2)C1)C1CC1 ZINC000328629815 354242104 /nfs/dbraw/zinc/24/21/04/354242104.db2.gz PEYOFBYNAPQWOU-CYBMUJFWSA-N 2 2 291.399 0.709 10 0 CCAELP Cc1nc(NC[C@@H]2C[NH2+]CCCO2)c2c([nH+]1)CCCC2 ZINC000333676113 354774461 /nfs/dbraw/zinc/77/44/61/354774461.db2.gz OAIBAAFRRLBKTR-LBPRGKRZSA-N 2 2 276.384 0.876 10 0 CCAELP CC1(C)C[C@@H]([NH2+][C@@H]2CCC[N@H+](CCO)C2)CCO1 ZINC000384641436 357721362 /nfs/dbraw/zinc/72/13/62/357721362.db2.gz XIGQCWRXMYOSHN-QWHCGFSZSA-N 2 2 256.390 0.990 10 0 CCAELP CC1(C)C[C@@H]([NH2+][C@@H]2CCC[N@@H+](CCO)C2)CCO1 ZINC000384641436 357721366 /nfs/dbraw/zinc/72/13/66/357721366.db2.gz XIGQCWRXMYOSHN-QWHCGFSZSA-N 2 2 256.390 0.990 10 0 CCAELP COC[C@@H]([NH3+])C(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000396377709 357762490 /nfs/dbraw/zinc/76/24/90/357762490.db2.gz PBCHHKOASZMNQW-UKRRQHHQSA-N 2 2 291.395 0.693 10 0 CCAELP COC[C@@H]([NH3+])C(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000396377709 357762492 /nfs/dbraw/zinc/76/24/92/357762492.db2.gz PBCHHKOASZMNQW-UKRRQHHQSA-N 2 2 291.395 0.693 10 0 CCAELP CCn1c(C)nnc1C[N@H+](C)CCOCC[NH2+]C ZINC000629570089 369713401 /nfs/dbraw/zinc/71/34/01/369713401.db2.gz HKRGOKAHCVUJHY-UHFFFAOYSA-N 2 2 255.366 0.274 10 0 CCAELP CCn1c(C)nnc1C[N@@H+](C)CCOCC[NH2+]C ZINC000629570089 369713405 /nfs/dbraw/zinc/71/34/05/369713405.db2.gz HKRGOKAHCVUJHY-UHFFFAOYSA-N 2 2 255.366 0.274 10 0 CCAELP CO[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)[C@@](C)(C[NH3+])C1 ZINC000630367052 370067956 /nfs/dbraw/zinc/06/79/56/370067956.db2.gz ZFILXWLWLYPBFT-DZGCQCFKSA-N 2 2 277.368 0.724 10 0 CCAELP CO[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2)[C@@](C)(C[NH3+])C1 ZINC000630367052 370067960 /nfs/dbraw/zinc/06/79/60/370067960.db2.gz ZFILXWLWLYPBFT-DZGCQCFKSA-N 2 2 277.368 0.724 10 0 CCAELP O=C(NCCCn1cc[nH+]c1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634762580 372209233 /nfs/dbraw/zinc/20/92/33/372209233.db2.gz BCOAPCRIAFUXNQ-JSGCOSHPSA-N 2 2 262.357 0.779 10 0 CCAELP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333788400 205705041 /nfs/dbraw/zinc/70/50/41/205705041.db2.gz MBYGNODHIPCENN-OLZOCXBDSA-N 2 2 284.404 0.148 10 0 CCAELP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)CC[N@H+]1C ZINC000247080810 285042584 /nfs/dbraw/zinc/04/25/84/285042584.db2.gz OWJJQEPWRUQMSI-QLFBSQMISA-N 3 2 269.433 0.906 10 0 CCAELP CCC[C@@H](C(=O)N1CC[C@H]([NH+]2CCOCC2)C1)[NH+](C)C ZINC000120946649 389145446 /nfs/dbraw/zinc/14/54/46/389145446.db2.gz RADHDGWDHJRTIV-KBPBESRZSA-N 2 2 283.416 0.650 10 0 CCAELP C[N@@H+]1CCN(c2ccc(Br)cn2)[C@@H](C[NH3+])C1 ZINC000226623222 389148665 /nfs/dbraw/zinc/14/86/65/389148665.db2.gz GTYBLYIWBHNPHB-JTQLQIEISA-N 2 2 285.189 0.923 10 0 CCAELP C[N@H+]1CCN(c2ccc(Br)cn2)[C@@H](C[NH3+])C1 ZINC000226623222 389148666 /nfs/dbraw/zinc/14/86/66/389148666.db2.gz GTYBLYIWBHNPHB-JTQLQIEISA-N 2 2 285.189 0.923 10 0 CCAELP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1cnccn1 ZINC000151288091 389276532 /nfs/dbraw/zinc/27/65/32/389276532.db2.gz JCKRQKFCVLQYJY-STQMWFEESA-N 2 2 264.373 0.974 10 0 CCAELP CO[C@@H]1C[NH2+][C@H](C(=O)NCc2[nH+]ccn2CC(C)C)C1 ZINC000583618165 390299650 /nfs/dbraw/zinc/29/96/50/390299650.db2.gz HHEYZZILSRMCAG-RYUDHWBXSA-N 2 2 280.372 0.532 10 0 CCAELP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCn1cc[nH+]c1 ZINC000247468083 131103980 /nfs/dbraw/zinc/10/39/80/131103980.db2.gz RKDLDCQIANSQRC-OLZOCXBDSA-N 2 2 277.372 0.761 10 0 CCAELP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCn1cc[nH+]c1 ZINC000247468083 131103981 /nfs/dbraw/zinc/10/39/81/131103981.db2.gz RKDLDCQIANSQRC-OLZOCXBDSA-N 2 2 277.372 0.761 10 0 CCAELP O=C(NC1CCOCC1)[C@@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000038043254 174049983 /nfs/dbraw/zinc/04/99/83/174049983.db2.gz NDCXHEAJQVQZAY-AWEZNQCLSA-N 2 2 281.400 0.498 10 0 CCAELP O=C(NC1CCOCC1)[C@@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000038043254 174049986 /nfs/dbraw/zinc/04/99/86/174049986.db2.gz NDCXHEAJQVQZAY-AWEZNQCLSA-N 2 2 281.400 0.498 10 0 CCAELP CC[NH2+][C@@H](CC[N@H+](C)C[C@@H]1CC[NH+](C)C1)C(=O)[O-] ZINC000071191060 176068831 /nfs/dbraw/zinc/06/88/31/176068831.db2.gz JOWFWJJCTVMMGF-NEPJUHHUSA-N 2 2 257.378 0.323 10 0 CCAELP CC[NH2+][C@@H](CC[N@@H+](C)C[C@@H]1CC[NH+](C)C1)C(=O)[O-] ZINC000071191060 176068832 /nfs/dbraw/zinc/06/88/32/176068832.db2.gz JOWFWJJCTVMMGF-NEPJUHHUSA-N 2 2 257.378 0.323 10 0 CCAELP CC[NH2+][C@@H](CC[NH+](C)C[C@@H]1CC[N@H+](C)C1)C(=O)[O-] ZINC000071191060 176068834 /nfs/dbraw/zinc/06/88/34/176068834.db2.gz JOWFWJJCTVMMGF-NEPJUHHUSA-N 2 2 257.378 0.323 10 0 CCAELP CC[NH2+][C@@H](CC[NH+](C)C[C@@H]1CC[N@@H+](C)C1)C(=O)[O-] ZINC000071191060 176068835 /nfs/dbraw/zinc/06/88/35/176068835.db2.gz JOWFWJJCTVMMGF-NEPJUHHUSA-N 2 2 257.378 0.323 10 0 CCAELP CCOC(=O)C1CC[NH+]([C@@H]2COC[C@@H]2C[NH+](C)C)CC1 ZINC000725273738 545889648 /nfs/dbraw/zinc/88/96/48/545889648.db2.gz YPQOGCRYYJJSEX-UONOGXRCSA-N 2 2 284.400 0.838 10 0 CCAELP Cc1ccc2[nH+]c(CN3CC[C@@H]([NH3+])[C@H](O)C3)cn2c1 ZINC000082161724 544484120 /nfs/dbraw/zinc/48/41/20/544484120.db2.gz HQNSSIDKFBSBSM-CHWSQXEVSA-N 2 2 260.341 0.537 10 0 CCAELP CN(Cc1[nH+]ccn1C)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089457674 544515020 /nfs/dbraw/zinc/51/50/20/544515020.db2.gz KRLFSCZUXHJKRC-MNOVXSKESA-N 2 2 250.346 0.754 10 0 CCAELP CC(C)[C@@H]([NH3+])CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000136425461 544638797 /nfs/dbraw/zinc/63/87/97/544638797.db2.gz FVGOBULZFHNIPE-LBPRGKRZSA-N 2 2 271.405 0.587 10 0 CCAELP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)NCCC[NH+](C)C)C2 ZINC000220583522 544816372 /nfs/dbraw/zinc/81/63/72/544816372.db2.gz DPGOHYYRNPERHT-NSHDSACASA-N 2 2 264.373 0.891 10 0 CCAELP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)NCCC[NH+](C)C)CC2 ZINC000220583522 544816376 /nfs/dbraw/zinc/81/63/76/544816376.db2.gz DPGOHYYRNPERHT-NSHDSACASA-N 2 2 264.373 0.891 10 0 CCAELP [NH3+][C@@H]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000223424919 544823865 /nfs/dbraw/zinc/82/38/65/544823865.db2.gz GQFXSIAHFKICES-JHJVBQTASA-N 2 2 267.373 0.047 10 0 CCAELP COc1cc2c(c(C[NH2+]C[C@@H]3C[NH2+]C[C@H]3O)c1)O[C@H](C)C2 ZINC000262153473 544941569 /nfs/dbraw/zinc/94/15/69/544941569.db2.gz RNTLZIAXHLLIMG-WDBKCZKBSA-N 2 2 292.379 0.689 10 0 CCAELP CC1(C)C[N@H+](CCNC(=O)N[C@H]2CCCC[NH2+]C2)CCO1 ZINC000333826291 545043584 /nfs/dbraw/zinc/04/35/84/545043584.db2.gz RYISZHVWEGOQKS-ZDUSSCGKSA-N 2 2 298.431 0.539 10 0 CCAELP CC1(C)C[N@@H+](CCNC(=O)N[C@H]2CCCC[NH2+]C2)CCO1 ZINC000333826291 545043586 /nfs/dbraw/zinc/04/35/86/545043586.db2.gz RYISZHVWEGOQKS-ZDUSSCGKSA-N 2 2 298.431 0.539 10 0 CCAELP C[C@@H]1CCN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)[C@@H](C[NH3+])C1 ZINC000333616080 278534216 /nfs/dbraw/zinc/53/42/16/278534216.db2.gz RCHDKWHOUXCBOB-JHJVBQTASA-N 2 2 291.399 0.967 10 0 CCAELP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)N1CCn2c[nH+]cc2C1 ZINC000333733637 280044935 /nfs/dbraw/zinc/04/49/35/280044935.db2.gz WNRYTCGBJJNRGB-PWSUYJOCSA-N 2 2 263.345 0.549 10 0 CCAELP CC[C@@H](C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1)[NH+](C)C ZINC000151566742 280078837 /nfs/dbraw/zinc/07/88/37/280078837.db2.gz JJXBSCOZZYAKCZ-STQMWFEESA-N 2 2 269.389 0.306 10 0 CCAELP CC[C@@H](C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1)[NH+](C)C ZINC000151566742 280078839 /nfs/dbraw/zinc/07/88/39/280078839.db2.gz JJXBSCOZZYAKCZ-STQMWFEESA-N 2 2 269.389 0.306 10 0 CCAELP CCOC(=O)[C@](C)([NH3+])CN1CC[NH+]([C@H](C)CC)CC1 ZINC000055070687 521328378 /nfs/dbraw/zinc/32/83/78/521328378.db2.gz POQWEDWIOCYLRN-TZMCWYRMSA-N 2 2 271.405 0.683 10 0 CCAELP C[NH+](C)CCN1CC[NH+](CC2([NH3+])CCCCC2)CC1 ZINC000061652496 521765876 /nfs/dbraw/zinc/76/58/76/521765876.db2.gz AXENWXAUIFZBSG-UHFFFAOYSA-N 3 2 268.449 0.827 10 0 CCAELP COC[C@@H](C)NC(=O)C[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000049291052 522227684 /nfs/dbraw/zinc/22/76/84/522227684.db2.gz RLVWUGGMAJLRAP-WDEREUQCSA-N 2 2 254.334 0.012 10 0 CCAELP CC[C@H]1CN(S(=O)(=O)C2CC[NH2+]CC2)CC[N@@H+]1C ZINC000069051722 523298013 /nfs/dbraw/zinc/29/80/13/523298013.db2.gz QEDRYJOCSLGJPQ-NSHDSACASA-N 2 2 275.418 0.094 10 0 CCAELP CC[C@H]1CN(S(=O)(=O)C2CC[NH2+]CC2)CC[N@H+]1C ZINC000069051722 523298022 /nfs/dbraw/zinc/29/80/22/523298022.db2.gz QEDRYJOCSLGJPQ-NSHDSACASA-N 2 2 275.418 0.094 10 0 CCAELP O=S(=O)(C[C@H]1CCCC[NH2+]1)Nc1cc[nH+]cc1 ZINC000049630585 527185037 /nfs/dbraw/zinc/18/50/37/527185037.db2.gz WUELDIFISZCRJW-LLVKDONJSA-N 2 2 255.343 0.965 10 0 CCAELP OCC[NH+]1CCC([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000399016280 581207045 /nfs/dbraw/zinc/20/70/45/581207045.db2.gz DHLHUUZNZZXSCJ-GJZGRUSLSA-N 3 2 267.417 0.660 10 0 CCAELP OCC[NH+]1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000399016280 581207046 /nfs/dbraw/zinc/20/70/46/581207046.db2.gz DHLHUUZNZZXSCJ-GJZGRUSLSA-N 3 2 267.417 0.660 10 0 CCAELP [NH3+][C@@H]1CCCCC[C@@H]1C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000094753708 649748292 /nfs/dbraw/zinc/74/82/92/649748292.db2.gz GJLICSYMKJDVJZ-SOUVJXGZSA-N 2 2 295.427 0.827 10 0 CCAELP Cc1[nH+]c2ccccc2n1CC(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262293254 137036055 /nfs/dbraw/zinc/03/60/55/137036055.db2.gz OWRBNWSDQFBWHJ-BXUZGUMPSA-N 2 2 288.351 0.041 10 0 CCAELP Cn1c(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)nc2ccccc21 ZINC000263228111 137060894 /nfs/dbraw/zinc/06/08/94/137060894.db2.gz NBXJCKJDGDXWPI-GWCFXTLKSA-N 2 2 260.341 0.243 10 0 CCAELP CC(C)C[C@@H](C[NH+](C)C)[NH2+]C[C@H](O)CN1CCOCC1 ZINC000049555615 348456498 /nfs/dbraw/zinc/45/64/98/348456498.db2.gz QSMIRNMOXGGLAL-GJZGRUSLSA-N 2 2 287.448 0.245 10 0 CCAELP CC(C)C[C@@H](C[NH+](C)C)[NH2+]C[C@@H](O)CN1CCOCC1 ZINC000049555617 348456541 /nfs/dbraw/zinc/45/65/41/348456541.db2.gz QSMIRNMOXGGLAL-LSDHHAIUSA-N 2 2 287.448 0.245 10 0 CCAELP Cc1c(F)cccc1NC(=O)C[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000065408251 348714607 /nfs/dbraw/zinc/71/46/07/348714607.db2.gz HAGAKLBQESSKEZ-LLVKDONJSA-N 2 2 281.331 0.651 10 0 CCAELP CC[NH+](CC)CC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000127321038 350166631 /nfs/dbraw/zinc/16/66/31/350166631.db2.gz GKVNBAJPNRGBEU-ZDUSSCGKSA-N 2 2 269.389 0.308 10 0 CCAELP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000127320754 350166842 /nfs/dbraw/zinc/16/68/42/350166842.db2.gz GKVNBAJPNRGBEU-CYBMUJFWSA-N 2 2 269.389 0.308 10 0 CCAELP COC(C[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1)OC ZINC000136746275 350428020 /nfs/dbraw/zinc/42/80/20/350428020.db2.gz USEMFBXOAKBCQD-GFCCVEGCSA-N 2 2 272.389 0.790 10 0 CCAELP COC(C[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1)OC ZINC000136746275 350428022 /nfs/dbraw/zinc/42/80/22/350428022.db2.gz USEMFBXOAKBCQD-GFCCVEGCSA-N 2 2 272.389 0.790 10 0 CCAELP CN(CC1([NH+](C)C)CCC1)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000189795669 351702389 /nfs/dbraw/zinc/70/23/89/351702389.db2.gz IQPBTWWJVMCIPC-CYBMUJFWSA-N 2 2 298.431 0.443 10 0 CCAELP CN(CC1([NH+](C)C)CCC1)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000189795669 351702392 /nfs/dbraw/zinc/70/23/92/351702392.db2.gz IQPBTWWJVMCIPC-CYBMUJFWSA-N 2 2 298.431 0.443 10 0 CCAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC000245676194 352332654 /nfs/dbraw/zinc/33/26/54/352332654.db2.gz HOZGNZULONNJQJ-RYUDHWBXSA-N 2 2 262.357 0.971 10 0 CCAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H]2CCNC2=O)C1 ZINC000245676194 352332656 /nfs/dbraw/zinc/33/26/56/352332656.db2.gz HOZGNZULONNJQJ-RYUDHWBXSA-N 2 2 262.357 0.971 10 0 CCAELP CCOCC[N@@H+]1CCN([C@H](C)C[NH+]2CCOCC2)C[C@@H]1C ZINC000245974016 352343776 /nfs/dbraw/zinc/34/37/76/352343776.db2.gz GAXVFLICOFCNTG-CVEARBPZSA-N 2 2 299.459 0.750 10 0 CCAELP CCOCC[N@H+]1CCN([C@H](C)C[NH+]2CCOCC2)C[C@@H]1C ZINC000245974016 352343781 /nfs/dbraw/zinc/34/37/81/352343781.db2.gz GAXVFLICOFCNTG-CVEARBPZSA-N 2 2 299.459 0.750 10 0 CCAELP C[C@H](O)C[N@@H+]1CCN(CC[NH+]2CCO[C@H](C)C2)C[C@@H]1C ZINC000249110645 352478327 /nfs/dbraw/zinc/47/83/27/352478327.db2.gz XTMPWVITDZRUFQ-SOUVJXGZSA-N 2 2 285.432 0.094 10 0 CCAELP C[C@H](O)C[N@H+]1CCN(CC[NH+]2CCO[C@H](C)C2)C[C@@H]1C ZINC000249110645 352478331 /nfs/dbraw/zinc/47/83/31/352478331.db2.gz XTMPWVITDZRUFQ-SOUVJXGZSA-N 2 2 285.432 0.094 10 0 CCAELP C[C@H](O)C[NH+]1CCN(CC[N@@H+]2CCO[C@H](C)C2)C[C@@H]1C ZINC000249110645 352478333 /nfs/dbraw/zinc/47/83/33/352478333.db2.gz XTMPWVITDZRUFQ-SOUVJXGZSA-N 2 2 285.432 0.094 10 0 CCAELP C[C@H](O)C[NH+]1CCN(CC[N@H+]2CCO[C@H](C)C2)C[C@@H]1C ZINC000249110645 352478335 /nfs/dbraw/zinc/47/83/35/352478335.db2.gz XTMPWVITDZRUFQ-SOUVJXGZSA-N 2 2 285.432 0.094 10 0 CCAELP CN(C[C@H]1CCn2cc[nH+]c2C1)C(=O)C[NH+](C)C ZINC000328622368 354240060 /nfs/dbraw/zinc/24/00/60/354240060.db2.gz BFPFPRYCXJJOEX-NSHDSACASA-N 2 2 250.346 0.466 10 0 CCAELP Cc1nn(C)c(C)c1NC(=O)C[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631839857 370705920 /nfs/dbraw/zinc/70/59/20/370705920.db2.gz LTSXIXRTRMKZKQ-CABZTGNLSA-N 2 2 279.388 0.502 10 0 CCAELP Cc1nn(C)c(C)c1NC(=O)C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631839857 370705924 /nfs/dbraw/zinc/70/59/24/370705924.db2.gz LTSXIXRTRMKZKQ-CABZTGNLSA-N 2 2 279.388 0.502 10 0 CCAELP C[C@@H]1C[N@H+](Cc2nnnn2Cc2ccccc2)C[C@@H]1C[NH3+] ZINC000631841763 370708149 /nfs/dbraw/zinc/70/81/49/370708149.db2.gz PJQPGKRJAZOKSJ-OCCSQVGLSA-N 2 2 286.383 0.748 10 0 CCAELP C[C@@H]1C[N@@H+](Cc2nnnn2Cc2ccccc2)C[C@@H]1C[NH3+] ZINC000631841763 370708151 /nfs/dbraw/zinc/70/81/51/370708151.db2.gz PJQPGKRJAZOKSJ-OCCSQVGLSA-N 2 2 286.383 0.748 10 0 CCAELP CO[C@H]1C[N@H+](CCCN2CCOCC2)[C@](C)(C[NH3+])C1 ZINC000630362931 370064684 /nfs/dbraw/zinc/06/46/84/370064684.db2.gz BXWYLEBKSJRCAP-KGLIPLIRSA-N 2 2 271.405 0.147 10 0 CCAELP CO[C@H]1C[N@@H+](CCCN2CCOCC2)[C@](C)(C[NH3+])C1 ZINC000630362931 370064690 /nfs/dbraw/zinc/06/46/90/370064690.db2.gz BXWYLEBKSJRCAP-KGLIPLIRSA-N 2 2 271.405 0.147 10 0 CCAELP [NH3+]Cc1ncc(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cn1 ZINC000638087046 374646634 /nfs/dbraw/zinc/64/66/34/374646634.db2.gz MMIYDUDEHXAXDN-LBPRGKRZSA-N 2 2 275.356 0.246 10 0 CCAELP [NH3+]Cc1ncc(C(=O)N2CC[N@H+]3CCCC[C@H]3C2)cn1 ZINC000638087046 374646643 /nfs/dbraw/zinc/64/66/43/374646643.db2.gz MMIYDUDEHXAXDN-LBPRGKRZSA-N 2 2 275.356 0.246 10 0 CCAELP CCC[C@@H](C(=O)N1CC[NH+](C[C@H](C)O)CC1)[NH+](C)C ZINC000189732671 388971475 /nfs/dbraw/zinc/97/14/75/388971475.db2.gz NNFOXURUKBZBFY-STQMWFEESA-N 2 2 271.405 0.242 10 0 CCAELP C[C@H]1C[N@H+](CCN2CC[NH+]3CCC[C@@H]3C2)CCO1 ZINC000192979451 389058742 /nfs/dbraw/zinc/05/87/42/389058742.db2.gz LXCSKUNCHUSAKG-UONOGXRCSA-N 2 2 253.390 0.487 10 0 CCAELP C[C@H]1C[N@@H+](CCN2CC[NH+]3CCC[C@@H]3C2)CCO1 ZINC000192979451 389058747 /nfs/dbraw/zinc/05/87/47/389058747.db2.gz LXCSKUNCHUSAKG-UONOGXRCSA-N 2 2 253.390 0.487 10 0 CCAELP C[C@H]1C[NH+](CCN2CC[N@@H+]3CCC[C@@H]3C2)CCO1 ZINC000192979451 389058751 /nfs/dbraw/zinc/05/87/51/389058751.db2.gz LXCSKUNCHUSAKG-UONOGXRCSA-N 2 2 253.390 0.487 10 0 CCAELP C[C@H]1C[NH+](CCN2CC[N@H+]3CCC[C@@H]3C2)CCO1 ZINC000192979451 389058753 /nfs/dbraw/zinc/05/87/53/389058753.db2.gz LXCSKUNCHUSAKG-UONOGXRCSA-N 2 2 253.390 0.487 10 0 CCAELP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CN3C(=O)c4ccccc4C3=O)C[C@H]12 ZINC000307618905 389091729 /nfs/dbraw/zinc/09/17/29/389091729.db2.gz VHTRFDFWKJGUBY-DDTOSNHZSA-N 2 2 285.347 0.909 10 0 CCAELP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CN3C(=O)c4ccccc4C3=O)C[C@H]12 ZINC000307618905 389091731 /nfs/dbraw/zinc/09/17/31/389091731.db2.gz VHTRFDFWKJGUBY-DDTOSNHZSA-N 2 2 285.347 0.909 10 0 CCAELP CC[C@@]1(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)CCC[NH2+]1 ZINC000122117632 389151154 /nfs/dbraw/zinc/15/11/54/389151154.db2.gz CNZJDNRXTTXLDE-HIFRSBDPSA-N 2 2 281.400 0.452 10 0 CCAELP Cn1c[nH+]cc1CNC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000332875747 389385212 /nfs/dbraw/zinc/38/52/12/389385212.db2.gz ZEAYEOWHRNOZSQ-OLZOCXBDSA-N 2 2 293.371 0.035 10 0 CCAELP Cn1c[nH+]cc1CNC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000332875747 389385215 /nfs/dbraw/zinc/38/52/15/389385215.db2.gz ZEAYEOWHRNOZSQ-OLZOCXBDSA-N 2 2 293.371 0.035 10 0 CCAELP C[C@@H]1C[N@H+](CCn2cc[nH+]c2)C[C@@H]1N1CCOCC1 ZINC000162200186 389415660 /nfs/dbraw/zinc/41/56/60/389415660.db2.gz QKKLUARIUKACSK-KGLIPLIRSA-N 2 2 264.373 0.536 10 0 CCAELP C[C@@H]1C[N@@H+](CCn2cc[nH+]c2)C[C@@H]1N1CCOCC1 ZINC000162200186 389415663 /nfs/dbraw/zinc/41/56/63/389415663.db2.gz QKKLUARIUKACSK-KGLIPLIRSA-N 2 2 264.373 0.536 10 0 CCAELP Cn1cc(C[N@@H+]2CCCN(C(=O)C[NH2+]C3CC3)CC2)cn1 ZINC000182112884 389700142 /nfs/dbraw/zinc/70/01/42/389700142.db2.gz MYIARUBGWKIPQI-UHFFFAOYSA-N 2 2 291.399 0.206 10 0 CCAELP Cn1cc(C[N@H+]2CCCN(C(=O)C[NH2+]C3CC3)CC2)cn1 ZINC000182112884 389700146 /nfs/dbraw/zinc/70/01/46/389700146.db2.gz MYIARUBGWKIPQI-UHFFFAOYSA-N 2 2 291.399 0.206 10 0 CCAELP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1CCCO ZINC000388888154 389770979 /nfs/dbraw/zinc/77/09/79/389770979.db2.gz SQKLFXVTKFPQNO-KBPBESRZSA-N 2 2 274.405 0.162 10 0 CCAELP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1CCCO ZINC000388888154 389770980 /nfs/dbraw/zinc/77/09/80/389770980.db2.gz SQKLFXVTKFPQNO-KBPBESRZSA-N 2 2 274.405 0.162 10 0 CCAELP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]1CCCO ZINC000388888154 389770983 /nfs/dbraw/zinc/77/09/83/389770983.db2.gz SQKLFXVTKFPQNO-KBPBESRZSA-N 2 2 274.405 0.162 10 0 CCAELP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]1CCCO ZINC000388888154 389770986 /nfs/dbraw/zinc/77/09/86/389770986.db2.gz SQKLFXVTKFPQNO-KBPBESRZSA-N 2 2 274.405 0.162 10 0 CCAELP C[NH+]1CCN(S(=O)(=O)c2cc(C[NH3+])ccc2F)CC1 ZINC000020188826 171053573 /nfs/dbraw/zinc/05/35/73/171053573.db2.gz XZAPASQSJVLIAE-UHFFFAOYSA-N 2 2 287.360 0.221 10 0 CCAELP C[C@@H](C[NH2+][C@@H]1CCS(=O)(=O)C1)C[NH+]1CCCCC1 ZINC000038042080 174044037 /nfs/dbraw/zinc/04/40/37/174044037.db2.gz WKJICICQQMQZSB-QWHCGFSZSA-N 2 2 274.430 0.885 10 0 CCAELP C[C@@H]([NH2+]CCCS(C)(=O)=O)[C@@H]1CCC[N@H+](C)C1 ZINC000038047493 174057818 /nfs/dbraw/zinc/05/78/18/174057818.db2.gz UFDHLLGCXREQTE-VXGBXAGGSA-N 2 2 262.419 0.741 10 0 CCAELP C[C@@H]([NH2+]CCCS(C)(=O)=O)[C@@H]1CCC[N@@H+](C)C1 ZINC000038047493 174057820 /nfs/dbraw/zinc/05/78/20/174057820.db2.gz UFDHLLGCXREQTE-VXGBXAGGSA-N 2 2 262.419 0.741 10 0 CCAELP C[C@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)[C@H]1CCC[N@H+](C)C1 ZINC000038083206 174092806 /nfs/dbraw/zinc/09/28/06/174092806.db2.gz LOOADOLYYVIIKE-AVGNSLFASA-N 2 2 274.430 0.741 10 0 CCAELP C[C@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)[C@H]1CCC[N@@H+](C)C1 ZINC000038083206 174092808 /nfs/dbraw/zinc/09/28/08/174092808.db2.gz LOOADOLYYVIIKE-AVGNSLFASA-N 2 2 274.430 0.741 10 0 CCAELP CNc1[nH+]cnc(NCCC[NH+]2CCOCC2)c1N ZINC000040706899 174379718 /nfs/dbraw/zinc/37/97/18/174379718.db2.gz DBFHTADZQROLEY-UHFFFAOYSA-N 2 2 266.349 0.235 10 0 CCAELP CNc1nc[nH+]c(NCCC[NH+]2CCOCC2)c1N ZINC000040706899 174379719 /nfs/dbraw/zinc/37/97/19/174379719.db2.gz DBFHTADZQROLEY-UHFFFAOYSA-N 2 2 266.349 0.235 10 0 CCAELP CN(C)c1[nH+]cnc(N(C)C2CC[NH+](C)CC2)c1N ZINC000040723632 174385905 /nfs/dbraw/zinc/38/59/05/174385905.db2.gz GOBMKERNVLEGDD-UHFFFAOYSA-N 2 2 264.377 0.655 10 0 CCAELP CN(C)c1nc[nH+]c(N(C)C2CC[NH+](C)CC2)c1N ZINC000040723632 174385906 /nfs/dbraw/zinc/38/59/06/174385906.db2.gz GOBMKERNVLEGDD-UHFFFAOYSA-N 2 2 264.377 0.655 10 0 CCAELP CCOC(=O)[C@@H]1CCC[N@@H+]([C@H]2COC[C@@H]2C[NH+](C)C)C1 ZINC000725273849 545889048 /nfs/dbraw/zinc/88/90/48/545889048.db2.gz NBZDUCDJTHPBKE-RDBSUJKOSA-N 2 2 284.400 0.838 10 0 CCAELP CCOC(=O)[C@@H]1CCC[N@H+]([C@H]2COC[C@@H]2C[NH+](C)C)C1 ZINC000725273849 545889052 /nfs/dbraw/zinc/88/90/52/545889052.db2.gz NBZDUCDJTHPBKE-RDBSUJKOSA-N 2 2 284.400 0.838 10 0 CCAELP [NH3+]C1(CC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)CCC1 ZINC000094295421 544543904 /nfs/dbraw/zinc/54/39/04/544543904.db2.gz YCQVMYHXZWOWEM-LBPRGKRZSA-N 2 2 267.373 0.191 10 0 CCAELP C[C@@]1(C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CCCC[NH2+]1 ZINC000136194810 544637062 /nfs/dbraw/zinc/63/70/62/544637062.db2.gz UYXJCLUFPLUIBO-ZBFHGGJFSA-N 2 2 295.427 0.842 10 0 CCAELP CC[N@@H+]1CCO[C@H](CN[C@@H]2C[C@H](C)[NH+](C3CC3)C2)C1 ZINC000161712069 544706984 /nfs/dbraw/zinc/70/69/84/544706984.db2.gz XOVZKDGWYHPCMT-GZBFAFLISA-N 2 2 267.417 0.922 10 0 CCAELP CC[N@H+]1CCO[C@H](CN[C@@H]2C[C@H](C)[NH+](C3CC3)C2)C1 ZINC000161712069 544706987 /nfs/dbraw/zinc/70/69/87/544706987.db2.gz XOVZKDGWYHPCMT-GZBFAFLISA-N 2 2 267.417 0.922 10 0 CCAELP CC[NH+]1CCO[C@H](CN[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)C1 ZINC000161712069 544706988 /nfs/dbraw/zinc/70/69/88/544706988.db2.gz XOVZKDGWYHPCMT-GZBFAFLISA-N 2 2 267.417 0.922 10 0 CCAELP CC[NH+]1CCO[C@H](CN[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)C1 ZINC000161712069 544706992 /nfs/dbraw/zinc/70/69/92/544706992.db2.gz XOVZKDGWYHPCMT-GZBFAFLISA-N 2 2 267.417 0.922 10 0 CCAELP CCOCC[N@@H+]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC000193292166 544805053 /nfs/dbraw/zinc/80/50/53/544805053.db2.gz CDXFMUZAUSEXRH-CYBMUJFWSA-N 2 2 294.399 0.912 10 0 CCAELP CCOCC[N@H+]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC000193292166 544805063 /nfs/dbraw/zinc/80/50/63/544805063.db2.gz CDXFMUZAUSEXRH-CYBMUJFWSA-N 2 2 294.399 0.912 10 0 CCAELP CCOCC[N@@H+]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC000193292166 544805065 /nfs/dbraw/zinc/80/50/65/544805065.db2.gz CDXFMUZAUSEXRH-CYBMUJFWSA-N 2 2 294.399 0.912 10 0 CCAELP CCOCC[N@H+]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC000193292166 544805069 /nfs/dbraw/zinc/80/50/69/544805069.db2.gz CDXFMUZAUSEXRH-CYBMUJFWSA-N 2 2 294.399 0.912 10 0 CCAELP Cc1cc(CO)cc(N2CC[C@H]([NH+]3CCOCC3)C2)[nH+]1 ZINC000228449602 544842994 /nfs/dbraw/zinc/84/29/94/544842994.db2.gz CEHRVEGOCRPVRN-AWEZNQCLSA-N 2 2 277.368 0.793 10 0 CCAELP C[N@H+]1C[C@@H]2C[NH+]([C@H]3CCN(CC(F)(F)F)C3=O)C[C@@H]2C1 ZINC000193623506 277198689 /nfs/dbraw/zinc/19/86/89/277198689.db2.gz UYNSBMDYOYIGLV-AXFHLTTASA-N 2 2 291.317 0.643 10 0 CCAELP C[N@@H+]1C[C@@H]2C[NH+]([C@H]3CCN(CC(F)(F)F)C3=O)C[C@@H]2C1 ZINC000193623506 277198691 /nfs/dbraw/zinc/19/86/91/277198691.db2.gz UYNSBMDYOYIGLV-AXFHLTTASA-N 2 2 291.317 0.643 10 0 CCAELP C[NH+]1C[C@@H]2C[N@H+]([C@H]3CCN(CC(F)(F)F)C3=O)C[C@@H]2C1 ZINC000193623506 277198692 /nfs/dbraw/zinc/19/86/92/277198692.db2.gz UYNSBMDYOYIGLV-AXFHLTTASA-N 2 2 291.317 0.643 10 0 CCAELP C[NH+]1C[C@@H]2C[N@@H+]([C@H]3CCN(CC(F)(F)F)C3=O)C[C@@H]2C1 ZINC000193623506 277198693 /nfs/dbraw/zinc/19/86/93/277198693.db2.gz UYNSBMDYOYIGLV-AXFHLTTASA-N 2 2 291.317 0.643 10 0 CCAELP CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@@H]2C[N@H+](C)CCO2)C1 ZINC000176437691 279149640 /nfs/dbraw/zinc/14/96/40/279149640.db2.gz YROAJBCDWJHVQB-ZIAGYGMSSA-N 2 2 298.431 0.443 10 0 CCAELP CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000176437691 279149642 /nfs/dbraw/zinc/14/96/42/279149642.db2.gz YROAJBCDWJHVQB-ZIAGYGMSSA-N 2 2 298.431 0.443 10 0 CCAELP CCN(CCC[NH2+][C@H]1C[NH+]2CCC1CC2)S(C)(=O)=O ZINC000038035512 279185440 /nfs/dbraw/zinc/18/54/40/279185440.db2.gz BEIPYZIDTXRRJX-ZDUSSCGKSA-N 2 2 289.445 0.342 10 0 CCAELP CC[N@H+](CCNC(=O)NC[C@H]1C[NH+](C)CCO1)C1CC1 ZINC000104797943 279199513 /nfs/dbraw/zinc/19/95/13/279199513.db2.gz UXOFXZGYWNKGEB-ZDUSSCGKSA-N 2 2 284.404 0.101 10 0 CCAELP CC[N@@H+](CCNC(=O)NC[C@H]1C[NH+](C)CCO1)C1CC1 ZINC000104797943 279199514 /nfs/dbraw/zinc/19/95/14/279199514.db2.gz UXOFXZGYWNKGEB-ZDUSSCGKSA-N 2 2 284.404 0.101 10 0 CCAELP CC[NH+](CCNC(=O)NC[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC000104797943 279199516 /nfs/dbraw/zinc/19/95/16/279199516.db2.gz UXOFXZGYWNKGEB-ZDUSSCGKSA-N 2 2 284.404 0.101 10 0 CCAELP CC[NH+](CCNC(=O)NC[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC000104797943 279199518 /nfs/dbraw/zinc/19/95/18/279199518.db2.gz UXOFXZGYWNKGEB-ZDUSSCGKSA-N 2 2 284.404 0.101 10 0 CCAELP C[C@H](C[NH2+]CC1(O)CCOCC1)C[NH+]1CCOCC1 ZINC000579703462 335868728 /nfs/dbraw/zinc/86/87/28/335868728.db2.gz DWSSVUITMTZWST-CYBMUJFWSA-N 2 2 272.389 0.086 10 0 CCAELP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCS[C@@H](C)C1 ZINC000383566607 336114204 /nfs/dbraw/zinc/11/42/04/336114204.db2.gz JFYIGLXDCUGEJK-NWDGAFQWSA-N 2 2 262.419 0.363 10 0 CCAELP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCS[C@@H](C)C1 ZINC000383566607 336114205 /nfs/dbraw/zinc/11/42/05/336114205.db2.gz JFYIGLXDCUGEJK-NWDGAFQWSA-N 2 2 262.419 0.363 10 0 CCAELP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCS[C@@H](C)C1 ZINC000383566607 336114206 /nfs/dbraw/zinc/11/42/06/336114206.db2.gz JFYIGLXDCUGEJK-NWDGAFQWSA-N 2 2 262.419 0.363 10 0 CCAELP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCS[C@@H](C)C1 ZINC000383566607 336114207 /nfs/dbraw/zinc/11/42/07/336114207.db2.gz JFYIGLXDCUGEJK-NWDGAFQWSA-N 2 2 262.419 0.363 10 0 CCAELP CC(C)C[C@@H](C[NH+](C)C)[NH2+]CCN1CCNC1=O ZINC000049556024 519775814 /nfs/dbraw/zinc/77/58/14/519775814.db2.gz DPTDUWCZISJFDZ-LBPRGKRZSA-N 2 2 256.394 0.578 10 0 CCAELP CCC[NH2+]C[C@@H]1CC[C@H](C[NH+]2CCS(=O)CC2)O1 ZINC000052516449 519927564 /nfs/dbraw/zinc/92/75/64/519927564.db2.gz VKNXKLCSWYMSPO-QWHCGFSZSA-N 2 2 274.430 0.598 10 0 CCAELP CC[NH+](CC)C[C@H](O)C[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000049235178 520737387 /nfs/dbraw/zinc/73/73/87/520737387.db2.gz DKAMZQRLXAZFJE-CHWSQXEVSA-N 3 2 254.378 0.564 10 0 CCAELP CCOC(=O)[C@@H](CN1CC[NH+]([C@H](C)CC)CC1)[NH2+]C ZINC000055070471 521064681 /nfs/dbraw/zinc/06/46/81/521064681.db2.gz QXNFHZYVGBKREO-CHWSQXEVSA-N 2 2 271.405 0.554 10 0 CCAELP C[NH+](C)C[C@H](O)C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000061674860 521859213 /nfs/dbraw/zinc/85/92/13/521859213.db2.gz XVYQPLMXOHNVJX-LLVKDONJSA-N 2 2 252.314 0.427 10 0 CCAELP CC[C@H]1CN(CCn2cc[nH+]c2)CC[N@@H+]1C[C@@H](C)O ZINC000161670609 523278556 /nfs/dbraw/zinc/27/85/56/523278556.db2.gz BNMAIDVOWBFLQG-KGLIPLIRSA-N 2 2 266.389 0.660 10 0 CCAELP CC[C@H]1CN(CCn2cc[nH+]c2)CC[N@H+]1C[C@@H](C)O ZINC000161670609 523278564 /nfs/dbraw/zinc/27/85/64/523278564.db2.gz BNMAIDVOWBFLQG-KGLIPLIRSA-N 2 2 266.389 0.660 10 0 CCAELP CO[C@H]1CC(=O)N(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)C1 ZINC000249495548 649746884 /nfs/dbraw/zinc/74/68/84/649746884.db2.gz VZQCVKDRISINFO-KBPBESRZSA-N 2 2 292.383 0.861 10 0 CCAELP CO[C@H]1CC(=O)N(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)C1 ZINC000249495548 649746887 /nfs/dbraw/zinc/74/68/87/649746887.db2.gz VZQCVKDRISINFO-KBPBESRZSA-N 2 2 292.383 0.861 10 0 CCAELP CC1CC[NH+](CC(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)CC1 ZINC000119055756 349916984 /nfs/dbraw/zinc/91/69/84/349916984.db2.gz YTZJYSYYYBKASX-HNNXBMFYSA-N 2 2 295.427 0.698 10 0 CCAELP CC1CC[NH+](CC(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)CC1 ZINC000119055756 349916987 /nfs/dbraw/zinc/91/69/87/349916987.db2.gz YTZJYSYYYBKASX-HNNXBMFYSA-N 2 2 295.427 0.698 10 0 CCAELP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)C1C[NH2+]C1 ZINC000262293817 137035795 /nfs/dbraw/zinc/03/57/95/137035795.db2.gz YDAKORJNEXFEIR-UHFFFAOYSA-N 2 2 270.336 0.767 10 0 CCAELP CC[N@@H+]1CCO[C@H](c2nc([C@H]3C[NH2+]CCN3C)no2)C1 ZINC000263280365 137062573 /nfs/dbraw/zinc/06/25/73/137062573.db2.gz UDWYTNJLXCCVCZ-MNOVXSKESA-N 2 2 281.360 0.039 10 0 CCAELP CC[N@H+]1CCO[C@H](c2nc([C@H]3C[NH2+]CCN3C)no2)C1 ZINC000263280365 137062574 /nfs/dbraw/zinc/06/25/74/137062574.db2.gz UDWYTNJLXCCVCZ-MNOVXSKESA-N 2 2 281.360 0.039 10 0 CCAELP O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000037802014 348206100 /nfs/dbraw/zinc/20/61/00/348206100.db2.gz HESFRHTZEGSOGN-CHWSQXEVSA-N 2 2 295.408 0.115 10 0 CCAELP CCc1c[nH+]c(C)nc1N1C[C@@H]2C[NH2+]C[C@]2(C(=O)OC)C1 ZINC000063856141 348694759 /nfs/dbraw/zinc/69/47/59/348694759.db2.gz OXAIAZCYSLKUKI-WFASDCNBSA-N 2 2 290.367 0.546 10 0 CCAELP O=C([C@H]1COCC[NH2+]1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000088357612 349360818 /nfs/dbraw/zinc/36/08/18/349360818.db2.gz QHNNYZCKQCECMZ-OAHLLOKOSA-N 2 2 289.379 0.319 10 0 CCAELP C[C@@H]1C[N@@H+](C2CC[NH+](CCC3OCCO3)CC2)CCO1 ZINC000123905019 350085344 /nfs/dbraw/zinc/08/53/44/350085344.db2.gz YNQHUYSIBZUASU-CYBMUJFWSA-N 2 2 284.400 0.935 10 0 CCAELP C[C@@H]1C[N@H+](C2CC[NH+](CCC3OCCO3)CC2)CCO1 ZINC000123905019 350085346 /nfs/dbraw/zinc/08/53/46/350085346.db2.gz YNQHUYSIBZUASU-CYBMUJFWSA-N 2 2 284.400 0.935 10 0 CCAELP C[C@H](CNC(=O)NCC1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000105124401 186043438 /nfs/dbraw/zinc/04/34/38/186043438.db2.gz HIRZNILDLCKQLM-CYBMUJFWSA-N 2 2 298.431 0.348 10 0 CCAELP C[C@H](CNC(=O)NC[C@@H](C)[NH+]1CCOCC1)[N@H+](C)C1CC1 ZINC000105124352 186043655 /nfs/dbraw/zinc/04/36/55/186043655.db2.gz BOBMCDYLMCIAGP-CHWSQXEVSA-N 2 2 298.431 0.489 10 0 CCAELP C[C@H](CNC(=O)NC[C@@H](C)[NH+]1CCOCC1)[N@@H+](C)C1CC1 ZINC000105124352 186043657 /nfs/dbraw/zinc/04/36/57/186043657.db2.gz BOBMCDYLMCIAGP-CHWSQXEVSA-N 2 2 298.431 0.489 10 0 CCAELP C[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH+]1CCOCC1 ZINC000136147506 350416313 /nfs/dbraw/zinc/41/63/13/350416313.db2.gz SYESBTNVAYHPQY-AWEZNQCLSA-N 2 2 283.416 0.555 10 0 CCAELP Cn1ncc2c1nc[nH+]c2NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000171636858 350923160 /nfs/dbraw/zinc/92/31/60/350923160.db2.gz LNJLJMCQIUVSTG-LLVKDONJSA-N 2 2 288.355 0.638 10 0 CCAELP Cn1ncc2c1nc[nH+]c2NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000171636858 350923161 /nfs/dbraw/zinc/92/31/61/350923161.db2.gz LNJLJMCQIUVSTG-LLVKDONJSA-N 2 2 288.355 0.638 10 0 CCAELP C[NH+](C)C[C@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)c1ccccc1 ZINC000173723058 351051625 /nfs/dbraw/zinc/05/16/25/351051625.db2.gz CPGLCWDVNFQKCY-GJZGRUSLSA-N 2 2 291.395 0.736 10 0 CCAELP C[NH+](C)C[C@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)c1ccccc1 ZINC000173723058 351051628 /nfs/dbraw/zinc/05/16/28/351051628.db2.gz CPGLCWDVNFQKCY-GJZGRUSLSA-N 2 2 291.395 0.736 10 0 CCAELP C[C@@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193648125 351838329 /nfs/dbraw/zinc/83/83/29/351838329.db2.gz XKSQOBCOAKSKHV-FQUUOJAGSA-N 2 2 281.400 0.164 10 0 CCAELP C[C@@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193648125 351838330 /nfs/dbraw/zinc/83/83/30/351838330.db2.gz XKSQOBCOAKSKHV-FQUUOJAGSA-N 2 2 281.400 0.164 10 0 CCAELP C[C@@H](C(=O)NC[C@@H]1CCCO1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193648125 351838332 /nfs/dbraw/zinc/83/83/32/351838332.db2.gz XKSQOBCOAKSKHV-FQUUOJAGSA-N 2 2 281.400 0.164 10 0 CCAELP C[C@@H](C(=O)NC[C@@H]1CCCO1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193648125 351838333 /nfs/dbraw/zinc/83/83/33/351838333.db2.gz XKSQOBCOAKSKHV-FQUUOJAGSA-N 2 2 281.400 0.164 10 0 CCAELP C[C@@H]1CCCCN1C(=O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193620080 351835698 /nfs/dbraw/zinc/83/56/98/351835698.db2.gz HEPQNADXYXDJBM-MCIONIFRSA-N 2 2 265.401 0.881 10 0 CCAELP C[C@@H]1CCCCN1C(=O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193620080 351835701 /nfs/dbraw/zinc/83/57/01/351835701.db2.gz HEPQNADXYXDJBM-MCIONIFRSA-N 2 2 265.401 0.881 10 0 CCAELP C[C@@H]1CCCCN1C(=O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193620080 351835705 /nfs/dbraw/zinc/83/57/05/351835705.db2.gz HEPQNADXYXDJBM-MCIONIFRSA-N 2 2 265.401 0.881 10 0 CCAELP C[C@@H]1CCCCN1C(=O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193620080 351835707 /nfs/dbraw/zinc/83/57/07/351835707.db2.gz HEPQNADXYXDJBM-MCIONIFRSA-N 2 2 265.401 0.881 10 0 CCAELP C[N@@H+]1CCN(c2cnc3ccccc3n2)[C@@H](C[NH3+])C1 ZINC000226622174 352031287 /nfs/dbraw/zinc/03/12/87/352031287.db2.gz FQZRGKAWNQAHHZ-NSHDSACASA-N 2 2 257.341 0.709 10 0 CCAELP C[N@H+]1CCN(c2cnc3ccccc3n2)[C@@H](C[NH3+])C1 ZINC000226622174 352031290 /nfs/dbraw/zinc/03/12/90/352031290.db2.gz FQZRGKAWNQAHHZ-NSHDSACASA-N 2 2 257.341 0.709 10 0 CCAELP C[N@@H+]1CCO[C@@H]2CN(c3nc[nH+]c(N)c3Cl)C[C@H]21 ZINC000408394372 283016182 /nfs/dbraw/zinc/01/61/82/283016182.db2.gz PRJMSNQIBAGTHY-HTQZYQBOSA-N 2 2 269.736 0.231 10 0 CCAELP C[N@H+]1CCO[C@@H]2CN(c3nc[nH+]c(N)c3Cl)C[C@H]21 ZINC000408394372 283016184 /nfs/dbraw/zinc/01/61/84/283016184.db2.gz PRJMSNQIBAGTHY-HTQZYQBOSA-N 2 2 269.736 0.231 10 0 CCAELP CCn1cc[nH+]c1CNC(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333734284 354784976 /nfs/dbraw/zinc/78/49/76/354784976.db2.gz IEIJYEDXLBOBAX-NSHDSACASA-N 2 2 265.361 0.844 10 0 CCAELP CCc1nnc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)n1C ZINC000569693898 358785900 /nfs/dbraw/zinc/78/59/00/358785900.db2.gz AJMFRYUBKULODS-SRVKXCTJSA-N 2 2 263.389 0.937 10 0 CCAELP CCc1nnc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)n1C ZINC000569693898 358785902 /nfs/dbraw/zinc/78/59/02/358785902.db2.gz AJMFRYUBKULODS-SRVKXCTJSA-N 2 2 263.389 0.937 10 0 CCAELP C[C@@H](C(=O)NCC(F)(F)F)[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631837317 370702178 /nfs/dbraw/zinc/70/21/78/370702178.db2.gz AJNQIFBSCJHRGC-VGMNWLOBSA-N 2 2 267.295 0.580 10 0 CCAELP C[C@@H](C(=O)NCC(F)(F)F)[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631837317 370702181 /nfs/dbraw/zinc/70/21/81/370702181.db2.gz AJNQIFBSCJHRGC-VGMNWLOBSA-N 2 2 267.295 0.580 10 0 CCAELP C[C@@H]1C[N@H+](CC(=O)NCC(F)(F)F)C[C@@H]1C[NH3+] ZINC000631844217 370709765 /nfs/dbraw/zinc/70/97/65/370709765.db2.gz VXWPQXQFJDQIQE-SFYZADRCSA-N 2 2 253.268 0.192 10 0 CCAELP C[C@@H]1C[N@@H+](CC(=O)NCC(F)(F)F)C[C@@H]1C[NH3+] ZINC000631844217 370709769 /nfs/dbraw/zinc/70/97/69/370709769.db2.gz VXWPQXQFJDQIQE-SFYZADRCSA-N 2 2 253.268 0.192 10 0 CCAELP C[C@]1([NH3+])CCCC[C@H]1C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000263250208 291407000 /nfs/dbraw/zinc/40/70/00/291407000.db2.gz PUQAPLVNJNIHCV-YCPHGPKFSA-N 2 2 295.427 0.827 10 0 CCAELP CO[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)[C@](C)(C[NH3+])C1 ZINC000630365646 370066631 /nfs/dbraw/zinc/06/66/31/370066631.db2.gz RUXYZCNUBWLNFO-RDBSUJKOSA-N 2 2 272.389 0.620 10 0 CCAELP CO[C@@H]1C[N@@H+](CCOC[C@H]2CCCO2)[C@](C)(C[NH3+])C1 ZINC000630365646 370066637 /nfs/dbraw/zinc/06/66/37/370066637.db2.gz RUXYZCNUBWLNFO-RDBSUJKOSA-N 2 2 272.389 0.620 10 0 CCAELP C[C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C[C@@H]1[NH3+] ZINC000333348247 205240506 /nfs/dbraw/zinc/24/05/06/205240506.db2.gz ZUUDXEGBFUZKBB-XBFCOCLRSA-N 2 2 281.400 0.435 10 0 CCAELP C[C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C[C@@H]1[NH3+] ZINC000333348247 205240511 /nfs/dbraw/zinc/24/05/11/205240511.db2.gz ZUUDXEGBFUZKBB-XBFCOCLRSA-N 2 2 281.400 0.435 10 0 CCAELP O=C([C@H]1CCn2cc[nH+]c2C1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246785336 285032380 /nfs/dbraw/zinc/03/23/80/285032380.db2.gz MALKMEBLEVJFDA-STQMWFEESA-N 2 2 274.368 0.752 10 0 CCAELP O=C([C@H]1CCn2cc[nH+]c2C1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000246785336 285032381 /nfs/dbraw/zinc/03/23/81/285032381.db2.gz MALKMEBLEVJFDA-STQMWFEESA-N 2 2 274.368 0.752 10 0 CCAELP CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](C)C[NH+]2CCOCC2)C1 ZINC000249771093 285268218 /nfs/dbraw/zinc/26/82/18/285268218.db2.gz SQMAENOEESGXSY-KGLIPLIRSA-N 2 2 298.431 0.491 10 0 CCAELP CC[N@H+]1CCC[C@H](NC(=O)N[C@H](C)C[NH+]2CCOCC2)C1 ZINC000249771093 285268219 /nfs/dbraw/zinc/26/82/19/285268219.db2.gz SQMAENOEESGXSY-KGLIPLIRSA-N 2 2 298.431 0.491 10 0 CCAELP CC(C)C[C@@H]([NH3+])C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000222904035 389142512 /nfs/dbraw/zinc/14/25/12/389142512.db2.gz TWQVPBSWQIWIIO-ZIAGYGMSSA-N 2 2 255.406 0.766 10 0 CCAELP CC(C)C[C@@H]([NH3+])C[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000222904035 389142518 /nfs/dbraw/zinc/14/25/18/389142518.db2.gz TWQVPBSWQIWIIO-ZIAGYGMSSA-N 2 2 255.406 0.766 10 0 CCAELP CCC[C@@H](C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1)[NH+](C)C ZINC000155966217 389323344 /nfs/dbraw/zinc/32/33/44/389323344.db2.gz PWMJJYBUVIYCIO-KGLIPLIRSA-N 2 2 283.416 0.696 10 0 CCAELP CCC[C@@H](C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1)[NH+](C)C ZINC000155966217 389323346 /nfs/dbraw/zinc/32/33/46/389323346.db2.gz PWMJJYBUVIYCIO-KGLIPLIRSA-N 2 2 283.416 0.696 10 0 CCAELP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1cnn(C)c1 ZINC000151290484 389277038 /nfs/dbraw/zinc/27/70/38/389277038.db2.gz PSOATKIHGQBJTJ-OCCSQVGLSA-N 2 2 266.389 0.918 10 0 CCAELP Cn1ncc2c1nc(N[C@@H]1CCCC[C@H]1C[NH3+])[nH+]c2N ZINC000333570266 389427415 /nfs/dbraw/zinc/42/74/15/389427415.db2.gz RWCOYGWFSHMPBB-WCBMZHEXSA-N 2 2 275.360 0.297 10 0 CCAELP COCCC1(C(=O)NCCn2cc[nH+]c2)CC[NH2+]CC1 ZINC000649279727 390547115 /nfs/dbraw/zinc/54/71/15/390547115.db2.gz RBQGXIFHFNJTHA-UHFFFAOYSA-N 2 2 280.372 0.406 10 0 CCAELP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](C)C(=O)N1CCCCC1 ZINC000252955168 131140565 /nfs/dbraw/zinc/14/05/65/131140565.db2.gz IHNFESDYOYEVQQ-MGPQQGTHSA-N 2 2 283.416 0.744 10 0 CCAELP O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000262457423 131221910 /nfs/dbraw/zinc/22/19/10/131221910.db2.gz FLFPZBIHOOIKHC-RYUDHWBXSA-N 2 2 272.308 0.738 10 0 CCAELP Cc1nnsc1C[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000384223560 397495734 /nfs/dbraw/zinc/49/57/34/397495734.db2.gz FNLZKXWAXNFPNK-NSHDSACASA-N 2 2 270.402 0.783 10 0 CCAELP CC(C)[NH2+]CCC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000062976866 411686624 /nfs/dbraw/zinc/68/66/24/411686624.db2.gz DQUKUFSBNGVYBB-CYBMUJFWSA-N 2 2 269.389 0.308 10 0 CCAELP C[NH+]1CCN(S(=O)(=O)Cc2cccc(C[NH3+])c2)CC1 ZINC000037918478 173854853 /nfs/dbraw/zinc/85/48/53/173854853.db2.gz YEJMIJOGDHLBBN-UHFFFAOYSA-N 2 2 283.397 0.223 10 0 CCAELP COc1cc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)ccc1O ZINC000038030985 174022863 /nfs/dbraw/zinc/02/28/63/174022863.db2.gz URXGCIAXSQFFCV-UHFFFAOYSA-N 2 2 293.367 0.264 10 0 CCAELP COc1cc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)ccc1O ZINC000038030985 174022865 /nfs/dbraw/zinc/02/28/65/174022865.db2.gz URXGCIAXSQFFCV-UHFFFAOYSA-N 2 2 293.367 0.264 10 0 CCAELP COCCCNC(=O)[C@@H](C)[N@H+](CC[NH3+])C1CCCC1 ZINC000070975455 176017944 /nfs/dbraw/zinc/01/79/44/176017944.db2.gz JVBGFURXWIVOGM-GFCCVEGCSA-N 2 2 271.405 0.731 10 0 CCAELP COCCCNC(=O)[C@@H](C)[N@@H+](CC[NH3+])C1CCCC1 ZINC000070975455 176017945 /nfs/dbraw/zinc/01/79/45/176017945.db2.gz JVBGFURXWIVOGM-GFCCVEGCSA-N 2 2 271.405 0.731 10 0 CCAELP Cc1ncsc1CC[N@@H+](C)C[C@@]1(O)C[NH2+]CCOC1 ZINC000077406621 177264245 /nfs/dbraw/zinc/26/42/45/177264245.db2.gz DSRXTAPQQDSSTQ-ZDUSSCGKSA-N 2 2 285.413 0.277 10 0 CCAELP Cc1ncsc1CC[N@H+](C)C[C@@]1(O)C[NH2+]CCOC1 ZINC000077406621 177264247 /nfs/dbraw/zinc/26/42/47/177264247.db2.gz DSRXTAPQQDSSTQ-ZDUSSCGKSA-N 2 2 285.413 0.277 10 0 CCAELP C[C@]1(C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CCCC[NH2+]1 ZINC000136194773 544637173 /nfs/dbraw/zinc/63/71/73/544637173.db2.gz UYXJCLUFPLUIBO-GDBMZVCRSA-N 2 2 295.427 0.842 10 0 CCAELP CC(C)[C@H]([NH3+])CC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000136325537 544637964 /nfs/dbraw/zinc/63/79/64/544637964.db2.gz XBWFMVFVXXRXKQ-NWDGAFQWSA-N 2 2 257.378 0.197 10 0 CCAELP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1COCC[NH2+]1 ZINC000236750186 544884722 /nfs/dbraw/zinc/88/47/22/544884722.db2.gz BLQMTNPCLYTMFO-KGLIPLIRSA-N 2 2 283.416 0.746 10 0 CCAELP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1COCC[NH2+]1 ZINC000236750186 544884729 /nfs/dbraw/zinc/88/47/29/544884729.db2.gz BLQMTNPCLYTMFO-KGLIPLIRSA-N 2 2 283.416 0.746 10 0 CCAELP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000251567267 544927512 /nfs/dbraw/zinc/92/75/12/544927512.db2.gz KXOHROAZXTUQMW-GRYCIOLGSA-N 2 2 250.346 0.763 10 0 CCAELP CC[C@H]1COCCN1C(=O)[C@@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000038043258 288320566 /nfs/dbraw/zinc/32/05/66/288320566.db2.gz LJWALDOCRVXKIS-ZFWWWQNUSA-N 2 2 295.427 0.840 10 0 CCAELP CC[C@H]1COCCN1C(=O)[C@@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000038043258 288320568 /nfs/dbraw/zinc/32/05/68/288320568.db2.gz LJWALDOCRVXKIS-ZFWWWQNUSA-N 2 2 295.427 0.840 10 0 CCAELP C[N@@H+]1CCO[C@H](CNC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)C1 ZINC000333603038 290108917 /nfs/dbraw/zinc/10/89/17/290108917.db2.gz PSVNUHLMXFUEQS-REWJHTLYSA-N 2 2 296.415 0.086 10 0 CCAELP C[N@H+]1CCO[C@H](CNC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)C1 ZINC000333603038 290108918 /nfs/dbraw/zinc/10/89/18/290108918.db2.gz PSVNUHLMXFUEQS-REWJHTLYSA-N 2 2 296.415 0.086 10 0 CCAELP COC[C@@H](C)NC(=O)C[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000049291054 522229155 /nfs/dbraw/zinc/22/91/55/522229155.db2.gz RLVWUGGMAJLRAP-GHMZBOCLSA-N 2 2 254.334 0.012 10 0 CCAELP CN(CC[NH2+]C1CCOCC1)Cc1[nH+]ccn1C ZINC000062767922 522864228 /nfs/dbraw/zinc/86/42/28/522864228.db2.gz IULSECXMGGNICC-UHFFFAOYSA-N 2 2 252.362 0.621 10 0 CCAELP [NH3+][C@H](CC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)C1CC1 ZINC000124032332 646240471 /nfs/dbraw/zinc/24/04/71/646240471.db2.gz JSVHKJKIQBCFPW-CHWSQXEVSA-N 2 2 267.373 0.047 10 0 CCAELP CC(C)[N@@H+]1CCc2n[nH]c(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000096066622 185084870 /nfs/dbraw/zinc/08/48/70/185084870.db2.gz ZGMZIHIGQOPSFQ-UHFFFAOYSA-N 2 2 291.399 0.564 10 0 CCAELP CC(C)[N@H+]1CCc2n[nH]c(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000096066622 185084872 /nfs/dbraw/zinc/08/48/72/185084872.db2.gz ZGMZIHIGQOPSFQ-UHFFFAOYSA-N 2 2 291.399 0.564 10 0 CCAELP C[N@@H+]1CCO[C@H](CNC(=[NH2+])NC2CCCCC2)C1 ZINC000112801202 349792960 /nfs/dbraw/zinc/79/29/60/349792960.db2.gz AELBSVZXVKUYRF-GFCCVEGCSA-N 2 2 254.378 0.764 10 0 CCAELP C[N@H+]1CCO[C@H](CNC(=[NH2+])NC2CCCCC2)C1 ZINC000112801202 349792963 /nfs/dbraw/zinc/79/29/63/349792963.db2.gz AELBSVZXVKUYRF-GFCCVEGCSA-N 2 2 254.378 0.764 10 0 CCAELP C[C@H]1CC[C@@H](C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)O1 ZINC000119297823 349928444 /nfs/dbraw/zinc/92/84/44/349928444.db2.gz HFBRHJOGPCWEIO-JSGCOSHPSA-N 2 2 283.416 0.696 10 0 CCAELP Cc1cc(NC(=O)NC[C@@H]2C[N@H+](C)CCO2)cc[nH+]1 ZINC000119382532 349933256 /nfs/dbraw/zinc/93/32/56/349933256.db2.gz VDLQGGCGBVVAND-GFCCVEGCSA-N 2 2 264.329 0.842 10 0 CCAELP Cc1cc(NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc[nH+]1 ZINC000119382532 349933258 /nfs/dbraw/zinc/93/32/58/349933258.db2.gz VDLQGGCGBVVAND-GFCCVEGCSA-N 2 2 264.329 0.842 10 0 CCAELP CC1(C)C[N@H+](CC(=O)NC2CCOCC2)CC[C@@H]1[NH3+] ZINC000261576920 137009822 /nfs/dbraw/zinc/00/98/22/137009822.db2.gz CLDYCTWBNXVAFB-LBPRGKRZSA-N 2 2 269.389 0.341 10 0 CCAELP CC1(C)C[N@@H+](CC(=O)NC2CCOCC2)CC[C@@H]1[NH3+] ZINC000261576920 137009823 /nfs/dbraw/zinc/00/98/23/137009823.db2.gz CLDYCTWBNXVAFB-LBPRGKRZSA-N 2 2 269.389 0.341 10 0 CCAELP CC(C)Cn1cc[nH+]c1CNC(=O)[C@H]1COCC[NH2+]1 ZINC000262678876 137050216 /nfs/dbraw/zinc/05/02/16/137050216.db2.gz VHYLYCWHLAEQMO-LLVKDONJSA-N 2 2 266.345 0.144 10 0 CCAELP COC(=O)c1ccc(Cl)c(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)c1 ZINC000263155744 137059207 /nfs/dbraw/zinc/05/92/07/137059207.db2.gz DKGVPNQVAADRHQ-YPMHNXCESA-N 2 2 298.770 0.797 10 0 CCAELP COc1cc(OC)c(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)c(OC)c1 ZINC000263247562 137061645 /nfs/dbraw/zinc/06/16/45/137061645.db2.gz PMNSZVKKKIFOKB-MFKMUULPSA-N 2 2 296.367 0.382 10 0 CCAELP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1O ZINC000263292593 137063175 /nfs/dbraw/zinc/06/31/75/137063175.db2.gz VUUAJKCRZHQFHV-IUODEOHRSA-N 3 2 287.367 0.246 10 0 CCAELP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1nccn1Cc1ccccc1 ZINC000263199715 137059950 /nfs/dbraw/zinc/05/99/50/137059950.db2.gz IVKOSNQYUQHGQB-GJZGRUSLSA-N 2 2 286.379 0.601 10 0 CCAELP O[C@H]1C[NH2+]C[C@H]1CNCc1[nH+]ccn1Cc1ccccc1 ZINC000263199715 137059951 /nfs/dbraw/zinc/05/99/51/137059951.db2.gz IVKOSNQYUQHGQB-GJZGRUSLSA-N 2 2 286.379 0.601 10 0 CCAELP O=C(Nc1cccc(-n2cc[nH+]c2)c1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000037013545 348178884 /nfs/dbraw/zinc/17/88/84/348178884.db2.gz IDPRTLQOYSHZNO-STQMWFEESA-N 2 2 272.308 0.534 10 0 CCAELP CCC[C@](C)([NH3+])C(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC000037819300 348210243 /nfs/dbraw/zinc/21/02/43/348210243.db2.gz NUTXNRUCOQNKJP-HNNXBMFYSA-N 2 2 298.431 0.126 10 0 CCAELP CCC[C@](C)([NH3+])C(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC000037819300 348210244 /nfs/dbraw/zinc/21/02/44/348210244.db2.gz NUTXNRUCOQNKJP-HNNXBMFYSA-N 2 2 298.431 0.126 10 0 CCAELP [NH3+]C1(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)CCCC1 ZINC000062976819 348674205 /nfs/dbraw/zinc/67/42/05/348674205.db2.gz LJAPZOVIBDEQIW-LBPRGKRZSA-N 2 2 267.373 0.191 10 0 CCAELP COC[C@H](O)C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000127358920 350167565 /nfs/dbraw/zinc/16/75/65/350167565.db2.gz YRKPFTKBBFBRGZ-CHWSQXEVSA-N 2 2 253.346 0.663 10 0 CCAELP COC[C@H](O)C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000127358920 350167566 /nfs/dbraw/zinc/16/75/66/350167566.db2.gz YRKPFTKBBFBRGZ-CHWSQXEVSA-N 2 2 253.346 0.663 10 0 CCAELP CC[N@@H+]1CCO[C@H](CNc2[nH+]cnc3c2cnn3C)C1 ZINC000134432142 350363511 /nfs/dbraw/zinc/36/35/11/350363511.db2.gz BKKRZUPZYWIPOA-SNVBAGLBSA-N 2 2 276.344 0.496 10 0 CCAELP CC[N@H+]1CCO[C@H](CNc2[nH+]cnc3c2cnn3C)C1 ZINC000134432142 350363514 /nfs/dbraw/zinc/36/35/14/350363514.db2.gz BKKRZUPZYWIPOA-SNVBAGLBSA-N 2 2 276.344 0.496 10 0 CCAELP Cn1cc[nH+]c1CC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000105903598 186087453 /nfs/dbraw/zinc/08/74/53/186087453.db2.gz HYKPPEALTOYOPQ-UHFFFAOYSA-N 2 2 285.413 0.719 10 0 CCAELP Cc1ncc(C[NH+]2CCN(C(=O)C[NH2+]C3CC3)CC2)s1 ZINC000154681290 350596955 /nfs/dbraw/zinc/59/69/55/350596955.db2.gz KAVDAAAWENUDGF-UHFFFAOYSA-N 2 2 294.424 0.848 10 0 CCAELP C[C@H](CC(=O)NC[C@H]1C[N@H+](C)CCO1)[C@@H]1CCC[NH2+]C1 ZINC000156242620 350628496 /nfs/dbraw/zinc/62/84/96/350628496.db2.gz WKVZSBRHUUBBNM-MCIONIFRSA-N 2 2 283.416 0.459 10 0 CCAELP C[C@H](CC(=O)NC[C@H]1C[N@@H+](C)CCO1)[C@@H]1CCC[NH2+]C1 ZINC000156242620 350628497 /nfs/dbraw/zinc/62/84/97/350628497.db2.gz WKVZSBRHUUBBNM-MCIONIFRSA-N 2 2 283.416 0.459 10 0 CCAELP c1cn(CC[N@@H+]2CCC[C@H](Cn3cncn3)C2)c[nH+]1 ZINC000163464612 350766673 /nfs/dbraw/zinc/76/66/73/350766673.db2.gz NRDDDLFVYXBZKP-ZDUSSCGKSA-N 2 2 260.345 0.887 10 0 CCAELP c1cn(CC[N@H+]2CCC[C@H](Cn3cncn3)C2)c[nH+]1 ZINC000163464612 350766674 /nfs/dbraw/zinc/76/66/74/350766674.db2.gz NRDDDLFVYXBZKP-ZDUSSCGKSA-N 2 2 260.345 0.887 10 0 CCAELP Cn1cc([C@@H]2CCC[N@@H+]2CC(=O)N2CC[NH+](C)CC2)cn1 ZINC000180471994 351285586 /nfs/dbraw/zinc/28/55/86/351285586.db2.gz NVRWXMDSGVOJQG-AWEZNQCLSA-N 2 2 291.399 0.331 10 0 CCAELP Cn1cc([C@@H]2CCC[N@H+]2CC(=O)N2CC[NH+](C)CC2)cn1 ZINC000180471994 351285589 /nfs/dbraw/zinc/28/55/89/351285589.db2.gz NVRWXMDSGVOJQG-AWEZNQCLSA-N 2 2 291.399 0.331 10 0 CCAELP Cc1cccn2c(=O)cc(C[NH+]3C[C@H]4C[N@H+](C)C[C@H]4C3)nc12 ZINC000193641240 351838044 /nfs/dbraw/zinc/83/80/44/351838044.db2.gz DYGLMDRZVMYXMP-OKILXGFUSA-N 2 2 298.390 0.996 10 0 CCAELP Cc1cccn2c(=O)cc(C[NH+]3C[C@H]4C[N@@H+](C)C[C@H]4C3)nc12 ZINC000193641240 351838048 /nfs/dbraw/zinc/83/80/48/351838048.db2.gz DYGLMDRZVMYXMP-OKILXGFUSA-N 2 2 298.390 0.996 10 0 CCAELP Cc1cccn2c(=O)cc(C[N@@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)nc12 ZINC000193641240 351838050 /nfs/dbraw/zinc/83/80/50/351838050.db2.gz DYGLMDRZVMYXMP-OKILXGFUSA-N 2 2 298.390 0.996 10 0 CCAELP Cc1cccn2c(=O)cc(C[N@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)nc12 ZINC000193641240 351838056 /nfs/dbraw/zinc/83/80/56/351838056.db2.gz DYGLMDRZVMYXMP-OKILXGFUSA-N 2 2 298.390 0.996 10 0 CCAELP C[C@H]1CN(C(=O)C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C[C@H](C)O1 ZINC000193641271 351838268 /nfs/dbraw/zinc/83/82/68/351838268.db2.gz YILJQIHYVQMPAV-XDQVBPFNSA-N 2 2 281.400 0.116 10 0 CCAELP C[C@H]1CN(C(=O)C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C[C@H](C)O1 ZINC000193641271 351838269 /nfs/dbraw/zinc/83/82/69/351838269.db2.gz YILJQIHYVQMPAV-XDQVBPFNSA-N 2 2 281.400 0.116 10 0 CCAELP C[C@H]1CN(C(=O)C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)C[C@H](C)O1 ZINC000193641271 351838272 /nfs/dbraw/zinc/83/82/72/351838272.db2.gz YILJQIHYVQMPAV-XDQVBPFNSA-N 2 2 281.400 0.116 10 0 CCAELP C[C@H]1CN(C(=O)C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)C[C@H](C)O1 ZINC000193641271 351838274 /nfs/dbraw/zinc/83/82/74/351838274.db2.gz YILJQIHYVQMPAV-XDQVBPFNSA-N 2 2 281.400 0.116 10 0 CCAELP C[N@H+]1C[C@@H]2C[NH+](CC(=O)NCc3ccccc3F)C[C@@H]2C1 ZINC000193617766 351836204 /nfs/dbraw/zinc/83/62/04/351836204.db2.gz GEUDAJZMWPDHQF-OKILXGFUSA-N 2 2 291.370 0.935 10 0 CCAELP C[N@@H+]1C[C@@H]2C[NH+](CC(=O)NCc3ccccc3F)C[C@@H]2C1 ZINC000193617766 351836207 /nfs/dbraw/zinc/83/62/07/351836207.db2.gz GEUDAJZMWPDHQF-OKILXGFUSA-N 2 2 291.370 0.935 10 0 CCAELP C[NH+]1C[C@@H]2C[N@@H+](CC(=O)NCc3ccccc3F)C[C@@H]2C1 ZINC000193617766 351836210 /nfs/dbraw/zinc/83/62/10/351836210.db2.gz GEUDAJZMWPDHQF-OKILXGFUSA-N 2 2 291.370 0.935 10 0 CCAELP C[NH+]1C[C@@H]2C[N@H+](CC(=O)NCc3ccccc3F)C[C@@H]2C1 ZINC000193617766 351836212 /nfs/dbraw/zinc/83/62/12/351836212.db2.gz GEUDAJZMWPDHQF-OKILXGFUSA-N 2 2 291.370 0.935 10 0 CCAELP C[C@H]1CCCN(C(=O)C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C1 ZINC000193652604 351839271 /nfs/dbraw/zinc/83/92/71/351839271.db2.gz HEOVXNAYYNXRQE-MELADBBJSA-N 2 2 265.401 0.738 10 0 CCAELP C[C@H]1CCCN(C(=O)C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C1 ZINC000193652604 351839274 /nfs/dbraw/zinc/83/92/74/351839274.db2.gz HEOVXNAYYNXRQE-MELADBBJSA-N 2 2 265.401 0.738 10 0 CCAELP C[C@H]1CCCN(C(=O)C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)C1 ZINC000193652604 351839277 /nfs/dbraw/zinc/83/92/77/351839277.db2.gz HEOVXNAYYNXRQE-MELADBBJSA-N 2 2 265.401 0.738 10 0 CCAELP C[C@H]1CCCN(C(=O)C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)C1 ZINC000193652604 351839280 /nfs/dbraw/zinc/83/92/80/351839280.db2.gz HEOVXNAYYNXRQE-MELADBBJSA-N 2 2 265.401 0.738 10 0 CCAELP CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1COCC[NH2+]1 ZINC000237032734 352238095 /nfs/dbraw/zinc/23/80/95/352238095.db2.gz RISYJSSIQBKVNM-STQMWFEESA-N 2 2 269.389 0.356 10 0 CCAELP CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1COCC[NH2+]1 ZINC000237032734 352238097 /nfs/dbraw/zinc/23/80/97/352238097.db2.gz RISYJSSIQBKVNM-STQMWFEESA-N 2 2 269.389 0.356 10 0 CCAELP C[C@@H]1CC[N@H+](CCS(C)(=O)=O)C[C@H]1n1cc[nH+]c1 ZINC000246238488 352356354 /nfs/dbraw/zinc/35/63/54/352356354.db2.gz HLTBESMAWWMEID-VXGBXAGGSA-N 2 2 271.386 0.811 10 0 CCAELP C[C@@H]1CC[N@@H+](CCS(C)(=O)=O)C[C@H]1n1cc[nH+]c1 ZINC000246238488 352356356 /nfs/dbraw/zinc/35/63/56/352356356.db2.gz HLTBESMAWWMEID-VXGBXAGGSA-N 2 2 271.386 0.811 10 0 CCAELP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1COCC[NH2+]1 ZINC000246289310 352359940 /nfs/dbraw/zinc/35/99/40/352359940.db2.gz NESDDDXBZIHKSD-AGIUHOORSA-N 2 2 269.389 0.211 10 0 CCAELP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1COCC[NH2+]1 ZINC000246289310 352359943 /nfs/dbraw/zinc/35/99/43/352359943.db2.gz NESDDDXBZIHKSD-AGIUHOORSA-N 2 2 269.389 0.211 10 0 CCAELP C[C@H](CNC(=O)N1CC[C@@H](C[NH+](C)C)C1)[NH+]1CCOCC1 ZINC000129503727 137646851 /nfs/dbraw/zinc/64/68/51/137646851.db2.gz IVXKKAJNDDFOSO-KGLIPLIRSA-N 2 2 298.431 0.300 10 0 CCAELP CC(C)[N@H+](C)CC(=O)N1CCN(C)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000328627991 354241349 /nfs/dbraw/zinc/24/13/49/354241349.db2.gz NGUPOCMPJZCCCK-GFCCVEGCSA-N 2 2 279.388 0.565 10 0 CCAELP CC(C)[N@@H+](C)CC(=O)N1CCN(C)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000328627991 354241351 /nfs/dbraw/zinc/24/13/51/354241351.db2.gz NGUPOCMPJZCCCK-GFCCVEGCSA-N 2 2 279.388 0.565 10 0 CCAELP [NH3+][C@H]1CCCN(C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)C1 ZINC000335062530 354954324 /nfs/dbraw/zinc/95/43/24/354954324.db2.gz KJBZMJSRPCEETQ-UWVGGRQHSA-N 2 2 276.331 0.364 10 0 CCAELP O=C([C@H]1CC[NH2+]CC1(F)F)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000335120229 354966792 /nfs/dbraw/zinc/96/67/92/354966792.db2.gz VJQPSDGOVKDGEM-VXGBXAGGSA-N 2 2 287.354 0.928 10 0 CCAELP O=C([C@H]1CC[NH2+]CC1(F)F)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000335120229 354966796 /nfs/dbraw/zinc/96/67/96/354966796.db2.gz VJQPSDGOVKDGEM-VXGBXAGGSA-N 2 2 287.354 0.928 10 0 CCAELP CC[N@@H+]1CCO[C@@H](CNc2cc(C)[nH+]cc2C#N)C1 ZINC000399482415 357783487 /nfs/dbraw/zinc/78/34/87/357783487.db2.gz ZWKNZSGRTSWZOA-ZDUSSCGKSA-N 2 2 260.341 0.816 10 0 CCAELP CC[N@H+]1CCO[C@@H](CNc2cc(C)[nH+]cc2C#N)C1 ZINC000399482415 357783493 /nfs/dbraw/zinc/78/34/93/357783493.db2.gz ZWKNZSGRTSWZOA-ZDUSSCGKSA-N 2 2 260.341 0.816 10 0 CCAELP NC(=O)NC(=O)C[N@@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000408390369 283304205 /nfs/dbraw/zinc/30/42/05/283304205.db2.gz UYQKSYKKFNZLLO-SNVBAGLBSA-N 2 2 291.355 0.204 10 0 CCAELP NC(=O)NC(=O)C[N@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000408390369 283304206 /nfs/dbraw/zinc/30/42/06/283304206.db2.gz UYQKSYKKFNZLLO-SNVBAGLBSA-N 2 2 291.355 0.204 10 0 CCAELP CCc1nnc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)n1C ZINC000573325081 358957577 /nfs/dbraw/zinc/95/75/77/358957577.db2.gz IJFXYRJLJBIADR-MNOVXSKESA-N 2 2 251.378 0.937 10 0 CCAELP CCc1nnc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)n1C ZINC000573325081 358957580 /nfs/dbraw/zinc/95/75/80/358957580.db2.gz IJFXYRJLJBIADR-MNOVXSKESA-N 2 2 251.378 0.937 10 0 CCAELP C[C@H]1C[N@H+](Cc2nnnn2Cc2ccccc2)C[C@H]1C[NH3+] ZINC000631841761 370708257 /nfs/dbraw/zinc/70/82/57/370708257.db2.gz PJQPGKRJAZOKSJ-GXTWGEPZSA-N 2 2 286.383 0.748 10 0 CCAELP C[C@H]1C[N@@H+](Cc2nnnn2Cc2ccccc2)C[C@H]1C[NH3+] ZINC000631841761 370708259 /nfs/dbraw/zinc/70/82/59/370708259.db2.gz PJQPGKRJAZOKSJ-GXTWGEPZSA-N 2 2 286.383 0.748 10 0 CCAELP CC(C)(C)OC(=O)NCC[C@H]1C[N@H+](CC[NH3+])CCCO1 ZINC000616652721 365409843 /nfs/dbraw/zinc/40/98/43/365409843.db2.gz JDQJKZAOHQGDOE-LBPRGKRZSA-N 2 2 287.404 0.951 10 0 CCAELP CC(C)(C)OC(=O)NCC[C@H]1C[N@@H+](CC[NH3+])CCCO1 ZINC000616652721 365409846 /nfs/dbraw/zinc/40/98/46/365409846.db2.gz JDQJKZAOHQGDOE-LBPRGKRZSA-N 2 2 287.404 0.951 10 0 CCAELP CO[C@@H]1C[N@H+](CCc2cnn(C)c2)[C@](C)(C[NH3+])C1 ZINC000630368095 370068855 /nfs/dbraw/zinc/06/88/55/370068855.db2.gz QGSLJKJPLOZRAU-STQMWFEESA-N 2 2 252.362 0.401 10 0 CCAELP CO[C@@H]1C[N@@H+](CCc2cnn(C)c2)[C@](C)(C[NH3+])C1 ZINC000630368095 370068858 /nfs/dbraw/zinc/06/88/58/370068858.db2.gz QGSLJKJPLOZRAU-STQMWFEESA-N 2 2 252.362 0.401 10 0 CCAELP CC[C@H]1CN(Cc2c[nH+]cn2C)CC[N@@H+]1C[C@H](C)O ZINC000246302686 285014380 /nfs/dbraw/zinc/01/43/80/285014380.db2.gz BWVDSVCSURPASY-STQMWFEESA-N 2 2 266.389 0.697 10 0 CCAELP CC[C@H]1CN(Cc2c[nH+]cn2C)CC[N@H+]1C[C@H](C)O ZINC000246302686 285014384 /nfs/dbraw/zinc/01/43/84/285014384.db2.gz BWVDSVCSURPASY-STQMWFEESA-N 2 2 266.389 0.697 10 0 CCAELP NC(=O)c1c[nH+]ccc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000302017923 389062464 /nfs/dbraw/zinc/06/24/64/389062464.db2.gz GLHSTRSAIAGNDI-NSHDSACASA-N 2 2 260.341 0.855 10 0 CCAELP NC(=O)c1c[nH+]ccc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC000302017923 389062466 /nfs/dbraw/zinc/06/24/66/389062466.db2.gz GLHSTRSAIAGNDI-NSHDSACASA-N 2 2 260.341 0.855 10 0 CCAELP C[C@@H](O)C[N@@H+]1CCN(c2cc[nH+]cc2C(N)=O)C[C@@H]1C ZINC000302029888 389062508 /nfs/dbraw/zinc/06/25/08/389062508.db2.gz MQWVGVHKYGKPKP-WDEREUQCSA-N 2 2 278.356 0.072 10 0 CCAELP C[C@@H](O)C[N@H+]1CCN(c2cc[nH+]cc2C(N)=O)C[C@@H]1C ZINC000302029888 389062509 /nfs/dbraw/zinc/06/25/09/389062509.db2.gz MQWVGVHKYGKPKP-WDEREUQCSA-N 2 2 278.356 0.072 10 0 CCAELP CCC[C@H](C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1)[NH+](C)C ZINC000245795466 389218429 /nfs/dbraw/zinc/21/84/29/389218429.db2.gz OLGFCKYJZYLDHW-MELADBBJSA-N 2 2 285.432 0.942 10 0 CCAELP CCC[C@H](C(=O)N1CC[N@H+](CCOC)[C@@H](C)C1)[NH+](C)C ZINC000245794079 389218551 /nfs/dbraw/zinc/21/85/51/389218551.db2.gz OGEDREAMZXZVGU-UONOGXRCSA-N 2 2 285.432 0.896 10 0 CCAELP CCC[C@H](C(=O)N1CC[N@@H+](CCOC)[C@@H](C)C1)[NH+](C)C ZINC000245794079 389218555 /nfs/dbraw/zinc/21/85/55/389218555.db2.gz OGEDREAMZXZVGU-UONOGXRCSA-N 2 2 285.432 0.896 10 0 CCAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1nc(N)nc(N)n1 ZINC000178754088 389620726 /nfs/dbraw/zinc/62/07/26/389620726.db2.gz WAHSGOWSTVXKMG-SNVBAGLBSA-N 2 2 288.359 0.206 10 0 CCAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1nc(N)nc(N)n1 ZINC000178754088 389620732 /nfs/dbraw/zinc/62/07/32/389620732.db2.gz WAHSGOWSTVXKMG-SNVBAGLBSA-N 2 2 288.359 0.206 10 0 CCAELP CC[C@@H](O)C[NH+]1CCN([C@H](C)C[NH+]2CCOCC2)CC1 ZINC000180479885 389670868 /nfs/dbraw/zinc/67/08/68/389670868.db2.gz PBVQZZLLNNMCPW-HUUCEWRRSA-N 2 2 285.432 0.096 10 0 CCAELP CCCCn1nnnc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000389022379 389770773 /nfs/dbraw/zinc/77/07/73/389770773.db2.gz ZRUKXQYWSGMPSL-SDDRHHMPSA-N 2 2 264.377 0.642 10 0 CCAELP CCCCn1nnnc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000389022379 389770774 /nfs/dbraw/zinc/77/07/74/389770774.db2.gz ZRUKXQYWSGMPSL-SDDRHHMPSA-N 2 2 264.377 0.642 10 0 CCAELP Cc1cnn(C)c1C[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000352812634 389837920 /nfs/dbraw/zinc/83/79/20/389837920.db2.gz GRBCSRNVPGVMMA-CYBMUJFWSA-N 2 2 266.389 0.665 10 0 CCAELP COCCC(=O)N1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000261646587 292272843 /nfs/dbraw/zinc/27/28/43/292272843.db2.gz DQCWKTFIHAWGMM-ZDUSSCGKSA-N 2 2 269.389 0.167 10 0 CCAELP Cc1noc(CNC(=O)[C@@H]2CCC[N@@H+]2C2CC[NH2+]CC2)n1 ZINC000038043371 174049613 /nfs/dbraw/zinc/04/96/13/174049613.db2.gz SWNBVFQZFCTDPI-LBPRGKRZSA-N 2 2 293.371 0.211 10 0 CCAELP Cc1noc(CNC(=O)[C@@H]2CCC[N@H+]2C2CC[NH2+]CC2)n1 ZINC000038043371 174049615 /nfs/dbraw/zinc/04/96/15/174049615.db2.gz SWNBVFQZFCTDPI-LBPRGKRZSA-N 2 2 293.371 0.211 10 0 CCAELP CC1(C)C(=O)NCC[N@H+]1C[C@H](C[NH3+])c1ccccc1 ZINC000070942685 176015888 /nfs/dbraw/zinc/01/58/88/176015888.db2.gz BFGCLUHPGRGBNB-ZDUSSCGKSA-N 2 2 261.369 0.939 10 0 CCAELP CC1(C)C(=O)NCC[N@@H+]1C[C@H](C[NH3+])c1ccccc1 ZINC000070942685 176015889 /nfs/dbraw/zinc/01/58/89/176015889.db2.gz BFGCLUHPGRGBNB-ZDUSSCGKSA-N 2 2 261.369 0.939 10 0 CCAELP COc1ccc(F)c(C[NH2+]C[C@@]2(O)CC[NH2+]C2)c1F ZINC000077505841 177275963 /nfs/dbraw/zinc/27/59/63/177275963.db2.gz IDHWWEITKCQXPE-CYBMUJFWSA-N 2 2 272.295 0.787 10 0 CCAELP O=C(N[C@H]1C[C@H]2C[NH2+][C@@H]1C2)c1cc2[nH+]ccn2cn1 ZINC000168966250 274995801 /nfs/dbraw/zinc/99/58/01/274995801.db2.gz CTTRNNAFSGWWIK-AEJSXWLSSA-N 2 2 257.297 0.210 10 0 CCAELP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000261768904 276754721 /nfs/dbraw/zinc/75/47/21/276754721.db2.gz ODHLGUSEKJAPOD-UKRRQHHQSA-N 3 2 296.459 0.504 10 0 CCAELP C[C@H]1[NH2+]CCC[C@H]1NC(=O)N1CCn2c[nH+]cc2C1 ZINC000333733638 280048457 /nfs/dbraw/zinc/04/84/57/280048457.db2.gz WNRYTCGBJJNRGB-ZYHUDNBSSA-N 2 2 263.345 0.549 10 0 CCAELP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1COCC[NH2+]1 ZINC000262674866 280253964 /nfs/dbraw/zinc/25/39/64/280253964.db2.gz RISYJSSIQBKVNM-CHWSQXEVSA-N 2 2 269.389 0.356 10 0 CCAELP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H]1COCC[NH2+]1 ZINC000262674866 280253967 /nfs/dbraw/zinc/25/39/67/280253967.db2.gz RISYJSSIQBKVNM-CHWSQXEVSA-N 2 2 269.389 0.356 10 0 CCAELP CN(C)c1[nH+]cc(C[NH2+][C@H]2CC(=O)N(C3CC3)C2)n1C ZINC000577362179 335342506 /nfs/dbraw/zinc/34/25/06/335342506.db2.gz JKQYRUJHMNTSSF-JTQLQIEISA-N 2 2 277.372 0.339 10 0 CCAELP CC(C)C[C@H](C[NH+](C)C)[NH2+]CCN1CCNC1=O ZINC000049556025 519340646 /nfs/dbraw/zinc/34/06/46/519340646.db2.gz DPTDUWCZISJFDZ-GFCCVEGCSA-N 2 2 256.394 0.578 10 0 CCAELP CC(C)COC[C@H](O)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]12 ZINC000049567505 519758903 /nfs/dbraw/zinc/75/89/03/519758903.db2.gz MNJJRBVUNWMJJV-MGPQQGTHSA-N 2 2 256.390 0.846 10 0 CCAELP CC(C)COC[C@H](O)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]12 ZINC000049567505 519758904 /nfs/dbraw/zinc/75/89/04/519758904.db2.gz MNJJRBVUNWMJJV-MGPQQGTHSA-N 2 2 256.390 0.846 10 0 CCAELP CCCN(CC[C@@H]([NH2+]C)C(=O)OC)CC[NH+](C)C ZINC000062528021 521670627 /nfs/dbraw/zinc/67/06/27/521670627.db2.gz GDXIFJUNBCJYJC-GFCCVEGCSA-N 2 2 259.394 0.411 10 0 CCAELP CC[NH+](CC)C[C@H](C)NC(=O)c1ccc(NN)[nH+]n1 ZINC000051117139 520733329 /nfs/dbraw/zinc/73/33/29/520733329.db2.gz XTYVHVJLWNATAO-VIFPVBQESA-N 2 2 266.349 0.222 10 0 CCAELP C[N@H+](CC[C@@H]([NH2+]C1CC1)C(N)=O)C1CCOCC1 ZINC000062450501 522927863 /nfs/dbraw/zinc/92/78/63/522927863.db2.gz DKSDHVAYIBHLHF-GFCCVEGCSA-N 2 2 255.362 0.093 10 0 CCAELP C[N@@H+](CC[C@@H]([NH2+]C1CC1)C(N)=O)C1CCOCC1 ZINC000062450501 522927868 /nfs/dbraw/zinc/92/78/68/522927868.db2.gz DKSDHVAYIBHLHF-GFCCVEGCSA-N 2 2 255.362 0.093 10 0 CCAELP CC[C@H]1CN(CCn2cc[nH+]c2)CC[N@@H+]1CCOC ZINC000161678030 523279486 /nfs/dbraw/zinc/27/94/86/523279486.db2.gz NBEFEADGVKBFAV-AWEZNQCLSA-N 2 2 266.389 0.926 10 0 CCAELP CC[C@H]1CN(CCn2cc[nH+]c2)CC[N@H+]1CCOC ZINC000161678030 523279492 /nfs/dbraw/zinc/27/94/92/523279492.db2.gz NBEFEADGVKBFAV-AWEZNQCLSA-N 2 2 266.389 0.926 10 0 CCAELP C[NH+](C)CC(C)(C)CNC(=O)c1ccc(NN)[nH+]n1 ZINC000051089791 524046254 /nfs/dbraw/zinc/04/62/54/524046254.db2.gz ZIZXLGNGIJQABJ-UHFFFAOYSA-N 2 2 266.349 0.080 10 0 CCAELP C[C@H](CC[NH2+]C1CC1)[NH+]1CCN(CC[NH+](C)C)CC1 ZINC000061655027 524192941 /nfs/dbraw/zinc/19/29/41/524192941.db2.gz XSQCUKRJEWNHMO-CQSZACIVSA-N 3 2 268.449 0.696 10 0 CCAELP C/C=C(/C)C[N@@H+]1CC[C@@H]([NH+]2CCC(O)CC2)[C@H](O)C1 ZINC000096859337 649824573 /nfs/dbraw/zinc/82/45/73/649824573.db2.gz GZRAUZURHZVBOX-NLPGRPMYSA-N 2 2 268.401 0.845 10 0 CCAELP C/C=C(/C)C[N@H+]1CC[C@@H]([NH+]2CCC(O)CC2)[C@H](O)C1 ZINC000096859337 649824575 /nfs/dbraw/zinc/82/45/75/649824575.db2.gz GZRAUZURHZVBOX-NLPGRPMYSA-N 2 2 268.401 0.845 10 0 CCAELP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCn1cc[nH+]c1 ZINC000113575489 349816664 /nfs/dbraw/zinc/81/66/64/349816664.db2.gz RKDLDCQIANSQRC-QWHCGFSZSA-N 2 2 277.372 0.761 10 0 CCAELP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCn1cc[nH+]c1 ZINC000113575489 349816668 /nfs/dbraw/zinc/81/66/68/349816668.db2.gz RKDLDCQIANSQRC-QWHCGFSZSA-N 2 2 277.372 0.761 10 0 CCAELP CN(CCCn1cc[nH+]c1)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000119625021 349946125 /nfs/dbraw/zinc/94/61/25/349946125.db2.gz LRKAVRPVDMLRTO-ZDUSSCGKSA-N 2 2 295.387 0.245 10 0 CCAELP CN(CCCn1cc[nH+]c1)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000119625021 349946127 /nfs/dbraw/zinc/94/61/27/349946127.db2.gz LRKAVRPVDMLRTO-ZDUSSCGKSA-N 2 2 295.387 0.245 10 0 CCAELP COc1c(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)c(C)nn1C ZINC000252893930 137004370 /nfs/dbraw/zinc/00/43/70/137004370.db2.gz SBBGHMMNHGYLQD-QWHCGFSZSA-N 2 2 294.399 0.690 10 0 CCAELP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C1C[NH2+]C1 ZINC000261583223 137010464 /nfs/dbraw/zinc/01/04/64/137010464.db2.gz HCOYNLMEUIYODM-OAHLLOKOSA-N 2 2 289.379 0.223 10 0 CCAELP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C1C[NH2+]C1 ZINC000261583223 137010465 /nfs/dbraw/zinc/01/04/65/137010465.db2.gz HCOYNLMEUIYODM-OAHLLOKOSA-N 2 2 289.379 0.223 10 0 CCAELP C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261809521 137021019 /nfs/dbraw/zinc/02/10/19/137021019.db2.gz OQDXPMNUDHGEOH-KOLCDFICSA-N 2 2 282.388 0.422 10 0 CCAELP C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261809521 137021020 /nfs/dbraw/zinc/02/10/20/137021020.db2.gz OQDXPMNUDHGEOH-KOLCDFICSA-N 2 2 282.388 0.422 10 0 CCAELP COC(=O)c1cc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)oc1C ZINC000261827859 137021371 /nfs/dbraw/zinc/02/13/71/137021371.db2.gz ACJNJMIYLFLPFY-CABZTGNLSA-N 2 2 268.313 0.045 10 0 CCAELP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1COCC[NH2+]1 ZINC000263282865 137062424 /nfs/dbraw/zinc/06/24/24/137062424.db2.gz SNWZDSBVQZVDKD-XJFOESAGSA-N 2 2 283.416 0.457 10 0 CCAELP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1COCC[NH2+]1 ZINC000263282865 137062425 /nfs/dbraw/zinc/06/24/25/137062425.db2.gz SNWZDSBVQZVDKD-XJFOESAGSA-N 2 2 283.416 0.457 10 0 CCAELP CC[N@@H+]1CCO[C@@H](c2nc([C@H]3C[NH2+]CCN3C)no2)C1 ZINC000263280364 137062767 /nfs/dbraw/zinc/06/27/67/137062767.db2.gz UDWYTNJLXCCVCZ-GHMZBOCLSA-N 2 2 281.360 0.039 10 0 CCAELP CC[N@H+]1CCO[C@@H](c2nc([C@H]3C[NH2+]CCN3C)no2)C1 ZINC000263280364 137062768 /nfs/dbraw/zinc/06/27/68/137062768.db2.gz UDWYTNJLXCCVCZ-GHMZBOCLSA-N 2 2 281.360 0.039 10 0 CCAELP Cn1c(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)nc2cc(Cl)ccc21 ZINC000263319088 137063823 /nfs/dbraw/zinc/06/38/23/137063823.db2.gz ZXLJEDUPIYFMSV-RNCFNFMXSA-N 2 2 294.786 0.897 10 0 CCAELP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cnc(-c2ccccc2)[nH]1 ZINC000263208373 137060399 /nfs/dbraw/zinc/06/03/99/137060399.db2.gz KAFHGYCIZXYLJW-GXTWGEPZSA-N 2 2 272.352 0.747 10 0 CCAELP CCn1cc[nH+]c1CN1CCC[N@H+](CCO)CC1 ZINC000071350469 348908797 /nfs/dbraw/zinc/90/87/97/348908797.db2.gz YGGKYDHBRWOVKG-UHFFFAOYSA-N 2 2 252.362 0.403 10 0 CCAELP CCn1cc[nH+]c1CN1CCC[N@@H+](CCO)CC1 ZINC000071350469 348908799 /nfs/dbraw/zinc/90/87/99/348908799.db2.gz YGGKYDHBRWOVKG-UHFFFAOYSA-N 2 2 252.362 0.403 10 0 CCAELP C[C@H](CNC(=O)N1CC[C@H](C[NH+](C)C)C1)[NH+]1CCOCC1 ZINC000129503298 350216454 /nfs/dbraw/zinc/21/64/54/350216454.db2.gz IVXKKAJNDDFOSO-ZIAGYGMSSA-N 2 2 298.431 0.300 10 0 CCAELP C[C@@H](CNC(=O)N1CCC[C@@H]([NH+](C)C)C1)[NH+]1CCOCC1 ZINC000105124310 186043131 /nfs/dbraw/zinc/04/31/31/186043131.db2.gz NEQXRXQNGCBVNW-UONOGXRCSA-N 2 2 298.431 0.443 10 0 CCAELP CC[N@@H+]1CCO[C@@H](CNc2cc[nH+]c(N(C)C)n2)C1 ZINC000134958695 350381029 /nfs/dbraw/zinc/38/10/29/350381029.db2.gz BCGNKXRKARSXRV-NSHDSACASA-N 2 2 265.361 0.675 10 0 CCAELP CC[N@H+]1CCO[C@@H](CNc2cc[nH+]c(N(C)C)n2)C1 ZINC000134958695 350381036 /nfs/dbraw/zinc/38/10/36/350381036.db2.gz BCGNKXRKARSXRV-NSHDSACASA-N 2 2 265.361 0.675 10 0 CCAELP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1COCC[NH2+]1 ZINC000166022272 350795951 /nfs/dbraw/zinc/79/59/51/350795951.db2.gz NESDDDXBZIHKSD-UPJWGTAASA-N 2 2 269.389 0.211 10 0 CCAELP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1COCC[NH2+]1 ZINC000166022272 350795953 /nfs/dbraw/zinc/79/59/53/350795953.db2.gz NESDDDXBZIHKSD-UPJWGTAASA-N 2 2 269.389 0.211 10 0 CCAELP C[C@@H]([NH2+]CC(=O)NC(N)=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000180668478 351290607 /nfs/dbraw/zinc/29/06/07/351290607.db2.gz WVWPBKPQQBNTJX-SNVBAGLBSA-N 2 2 287.323 0.718 10 0 CCAELP C[N@@H+]1CCO[C@@H](CNC(=O)N2CC[NH+]3CCCC[C@H]3C2)C1 ZINC000246323245 352360730 /nfs/dbraw/zinc/36/07/30/352360730.db2.gz AFVOBVXSROTRQU-KBPBESRZSA-N 2 2 296.415 0.197 10 0 CCAELP C[N@H+]1CCO[C@@H](CNC(=O)N2CC[NH+]3CCCC[C@H]3C2)C1 ZINC000246323245 352360733 /nfs/dbraw/zinc/36/07/33/352360733.db2.gz AFVOBVXSROTRQU-KBPBESRZSA-N 2 2 296.415 0.197 10 0 CCAELP C[NH+]1CCO[C@@H](CNC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)C1 ZINC000246323245 352360735 /nfs/dbraw/zinc/36/07/35/352360735.db2.gz AFVOBVXSROTRQU-KBPBESRZSA-N 2 2 296.415 0.197 10 0 CCAELP C[NH+]1CCO[C@@H](CNC(=O)N2CC[N@H+]3CCCC[C@H]3C2)C1 ZINC000246323245 352360738 /nfs/dbraw/zinc/36/07/38/352360738.db2.gz AFVOBVXSROTRQU-KBPBESRZSA-N 2 2 296.415 0.197 10 0 CCAELP C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2C[NH2+]Cc3ccccc32)C1 ZINC000252551440 352520209 /nfs/dbraw/zinc/52/02/09/352520209.db2.gz PQEZLMULDSABHO-HIFRSBDPSA-N 2 2 289.379 0.320 10 0 CCAELP C[N@H+]1CCO[C@H](CNC(=O)[C@H]2C[NH2+]Cc3ccccc32)C1 ZINC000252551440 352520211 /nfs/dbraw/zinc/52/02/11/352520211.db2.gz PQEZLMULDSABHO-HIFRSBDPSA-N 2 2 289.379 0.320 10 0 CCAELP C[NH+](C)[C@@H]1CCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000277646376 353255936 /nfs/dbraw/zinc/25/59/36/353255936.db2.gz YBGFGBNXFHPOOT-GFCCVEGCSA-N 2 2 277.372 0.454 10 0 CCAELP CN(C[C@H]1CCc2[nH+]ccn2C1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000328623150 354239810 /nfs/dbraw/zinc/23/98/10/354239810.db2.gz IYFVVQYTPPMZQJ-CHWSQXEVSA-N 2 2 292.383 0.235 10 0 CCAELP CN(C[C@H]1CCc2[nH+]ccn2C1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000328623150 354239813 /nfs/dbraw/zinc/23/98/13/354239813.db2.gz IYFVVQYTPPMZQJ-CHWSQXEVSA-N 2 2 292.383 0.235 10 0 CCAELP COC[C@H]([NH3+])C(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000396377707 357762331 /nfs/dbraw/zinc/76/23/31/357762331.db2.gz PBCHHKOASZMNQW-HIFRSBDPSA-N 2 2 291.395 0.693 10 0 CCAELP COC[C@H]([NH3+])C(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000396377707 357762335 /nfs/dbraw/zinc/76/23/35/357762335.db2.gz PBCHHKOASZMNQW-HIFRSBDPSA-N 2 2 291.395 0.693 10 0 CCAELP Cc1[nH]c(CN(C)C[C@@H]2C[N@H+](C)CCO2)[nH+]c1C ZINC000628167242 369197832 /nfs/dbraw/zinc/19/78/32/369197832.db2.gz HYDIFNQGDVWTBN-LBPRGKRZSA-N 2 2 252.362 0.789 10 0 CCAELP Cc1[nH]c(CN(C)C[C@@H]2C[N@@H+](C)CCO2)[nH+]c1C ZINC000628167242 369197834 /nfs/dbraw/zinc/19/78/34/369197834.db2.gz HYDIFNQGDVWTBN-LBPRGKRZSA-N 2 2 252.362 0.789 10 0 CCAELP CN(C(=O)Nc1ccn2cc[nH+]c2c1)[C@H]1C[NH2+]C[C@@H]1O ZINC000333250837 205153108 /nfs/dbraw/zinc/15/31/08/205153108.db2.gz CKUQOWRQJWQACZ-QWRGUYRKSA-N 2 2 275.312 0.131 10 0 CCAELP CC[C@@H](C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)[NH+](C)C ZINC000162027727 389413216 /nfs/dbraw/zinc/41/32/16/389413216.db2.gz VMGXKQKYUFEMGI-OLZOCXBDSA-N 2 2 269.389 0.260 10 0 CCAELP Cn1ncc2c1nc(N[C@@H]1CCCC[C@@H]1C[NH3+])[nH+]c2N ZINC000333570258 389427645 /nfs/dbraw/zinc/42/76/45/389427645.db2.gz RWCOYGWFSHMPBB-PSASIEDQSA-N 2 2 275.360 0.297 10 0 CCAELP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3nnnn3CC2)C[N@@H+]1C1CC1 ZINC000333812577 389444880 /nfs/dbraw/zinc/44/48/80/389444880.db2.gz FWEDBWIJHNHITQ-WOPDTQHZSA-N 2 2 276.388 0.593 10 0 CCAELP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3nnnn3CC2)C[N@H+]1C1CC1 ZINC000333812577 389444882 /nfs/dbraw/zinc/44/48/82/389444882.db2.gz FWEDBWIJHNHITQ-WOPDTQHZSA-N 2 2 276.388 0.593 10 0 CCAELP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178800509 389624184 /nfs/dbraw/zinc/62/41/84/389624184.db2.gz MALKMEBLEVJFDA-CHWSQXEVSA-N 2 2 274.368 0.752 10 0 CCAELP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000178800509 389624188 /nfs/dbraw/zinc/62/41/88/389624188.db2.gz MALKMEBLEVJFDA-CHWSQXEVSA-N 2 2 274.368 0.752 10 0 CCAELP COCC[N@H+](C)C[C@H](O)C[NH+]1CCO[C@H]2CCCC[C@@H]21 ZINC000380561012 389764338 /nfs/dbraw/zinc/76/43/38/389764338.db2.gz RKNBAULIMGYMHK-KKUMJFAQSA-N 2 2 286.416 0.569 10 0 CCAELP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCO[C@H]2CCCC[C@@H]21 ZINC000380561012 389764341 /nfs/dbraw/zinc/76/43/41/389764341.db2.gz RKNBAULIMGYMHK-KKUMJFAQSA-N 2 2 286.416 0.569 10 0 CCAELP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000380561012 389764343 /nfs/dbraw/zinc/76/43/43/389764343.db2.gz RKNBAULIMGYMHK-KKUMJFAQSA-N 2 2 286.416 0.569 10 0 CCAELP COCC[NH+](C)C[C@H](O)C[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000380561012 389764345 /nfs/dbraw/zinc/76/43/45/389764345.db2.gz RKNBAULIMGYMHK-KKUMJFAQSA-N 2 2 286.416 0.569 10 0 CCAELP CC(=O)N[C@H]1CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000183162775 389726194 /nfs/dbraw/zinc/72/61/94/389726194.db2.gz CNGWCHZUYBOHTJ-ZDUSSCGKSA-N 2 2 250.346 0.874 10 0 CCAELP CC(=O)N[C@H]1CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000183162775 389726198 /nfs/dbraw/zinc/72/61/98/389726198.db2.gz CNGWCHZUYBOHTJ-ZDUSSCGKSA-N 2 2 250.346 0.874 10 0 CCAELP [NH3+]C1CCC(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)CC1 ZINC000062976765 411686852 /nfs/dbraw/zinc/68/68/52/411686852.db2.gz WTQMQGVGNQXOJU-RUXDESIVSA-N 2 2 281.400 0.437 10 0 CCAELP [NH3+]Cc1cccc(NC(=O)C[NH+]2CCC(O)CC2)c1 ZINC000022177153 171371124 /nfs/dbraw/zinc/37/11/24/171371124.db2.gz ABTGQGFDUXOYME-UHFFFAOYSA-N 2 2 263.341 0.541 10 0 CCAELP C[C@H](C[NH2+][C@@H]1CCS(=O)(=O)C1)C[NH+]1CCCCC1 ZINC000038042081 174044419 /nfs/dbraw/zinc/04/44/19/174044419.db2.gz WKJICICQQMQZSB-CHWSQXEVSA-N 2 2 274.430 0.885 10 0 CCAELP C[N@@H+]1CCO[C@H](CNC(=O)c2cccc3c2C[NH2+]C3)C1 ZINC000662425912 414717221 /nfs/dbraw/zinc/71/72/21/414717221.db2.gz KVXLHZDPRXHHOE-GFCCVEGCSA-N 2 2 275.352 0.350 10 0 CCAELP C[N@H+]1CCO[C@H](CNC(=O)c2cccc3c2C[NH2+]C3)C1 ZINC000662425912 414717222 /nfs/dbraw/zinc/71/72/22/414717222.db2.gz KVXLHZDPRXHHOE-GFCCVEGCSA-N 2 2 275.352 0.350 10 0 CCAELP CN(C(=O)CCn1cc[nH+]c1)[C@@H](C[NH3+])C(F)(F)F ZINC000662980641 414931168 /nfs/dbraw/zinc/93/11/68/414931168.db2.gz JQSGWSCJUMINDQ-QMMMGPOBSA-N 2 2 264.251 0.621 10 0 CCAELP CC[N@H+](CCS(C)(=O)=O)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000044374322 175168593 /nfs/dbraw/zinc/16/85/93/175168593.db2.gz KITNTJCTUHIQTR-FOSCPWQOSA-N 2 2 260.403 0.636 10 0 CCAELP CC[N@@H+](CCS(C)(=O)=O)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000044374322 175168594 /nfs/dbraw/zinc/16/85/94/175168594.db2.gz KITNTJCTUHIQTR-FOSCPWQOSA-N 2 2 260.403 0.636 10 0 CCAELP CCN[C@](C)(C[N@H+](C)C[C@@H]1CC[NH+](C)C1)C(=O)OC ZINC000071190975 176068494 /nfs/dbraw/zinc/06/84/94/176068494.db2.gz QJMLROGFOSJXAK-TZMCWYRMSA-N 2 2 271.405 0.411 10 0 CCAELP CCN[C@](C)(C[N@@H+](C)C[C@@H]1CC[NH+](C)C1)C(=O)OC ZINC000071190975 176068495 /nfs/dbraw/zinc/06/84/95/176068495.db2.gz QJMLROGFOSJXAK-TZMCWYRMSA-N 2 2 271.405 0.411 10 0 CCAELP CCN[C@](C)(C[NH+](C)C[C@@H]1CC[N@H+](C)C1)C(=O)OC ZINC000071190975 176068496 /nfs/dbraw/zinc/06/84/96/176068496.db2.gz QJMLROGFOSJXAK-TZMCWYRMSA-N 2 2 271.405 0.411 10 0 CCAELP CCN[C@](C)(C[NH+](C)C[C@@H]1CC[N@@H+](C)C1)C(=O)OC ZINC000071190975 176068498 /nfs/dbraw/zinc/06/84/98/176068498.db2.gz QJMLROGFOSJXAK-TZMCWYRMSA-N 2 2 271.405 0.411 10 0 CCAELP CCn1cc(C[N@H+](CCOC)CCC(N)=[NH2+])cn1 ZINC000071228959 176091405 /nfs/dbraw/zinc/09/14/05/176091405.db2.gz LHKZHLQMRDCZCY-UHFFFAOYSA-N 2 2 253.350 0.677 10 0 CCAELP CCn1cc(C[N@@H+](CCOC)CCC(N)=[NH2+])cn1 ZINC000071228959 176091406 /nfs/dbraw/zinc/09/14/06/176091406.db2.gz LHKZHLQMRDCZCY-UHFFFAOYSA-N 2 2 253.350 0.677 10 0 CCAELP CC(C)Cc1cc(C[NH2+]C[C@@]2(O)CC[NH2+]C2)on1 ZINC000072410131 176398347 /nfs/dbraw/zinc/39/83/47/176398347.db2.gz KBYNQFOCCXISET-CYBMUJFWSA-N 2 2 253.346 0.687 10 0 CCAELP CC(C)[C@H]([NH3+])CC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000136460462 544638842 /nfs/dbraw/zinc/63/88/42/544638842.db2.gz AWCQUGDNKCDNDF-QWHCGFSZSA-N 2 2 269.389 0.293 10 0 CCAELP Cn1ncc2c1nc(N[C@H]1CCC[C@@H]([NH3+])C1)[nH+]c2N ZINC000333544089 545040123 /nfs/dbraw/zinc/04/01/23/545040123.db2.gz OHDQINSCFOLRQI-SFYZADRCSA-N 2 2 261.333 0.049 10 0 CCAELP C[N@@H+]1CCN(c2ccnc3cccnc32)[C@@H](C[NH3+])C1 ZINC000394222870 260125939 /nfs/dbraw/zinc/12/59/39/260125939.db2.gz IGNWYCOXVMTNIW-NSHDSACASA-N 2 2 257.341 0.709 10 0 CCAELP C[N@H+]1CCN(c2ccnc3cccnc32)[C@@H](C[NH3+])C1 ZINC000394222870 260125940 /nfs/dbraw/zinc/12/59/40/260125940.db2.gz IGNWYCOXVMTNIW-NSHDSACASA-N 2 2 257.341 0.709 10 0 CCAELP C[N@@H+]1CCO[C@H]2CN(c3[nH+]cnc4[nH]ccc43)C[C@@H]21 ZINC000329926707 277132443 /nfs/dbraw/zinc/13/24/43/277132443.db2.gz WKBDMFLPSBEZIG-QWRGUYRKSA-N 2 2 259.313 0.477 10 0 CCAELP C[N@H+]1CCO[C@H]2CN(c3[nH+]cnc4[nH]ccc43)C[C@@H]21 ZINC000329926707 277132445 /nfs/dbraw/zinc/13/24/45/277132445.db2.gz WKBDMFLPSBEZIG-QWRGUYRKSA-N 2 2 259.313 0.477 10 0 CCAELP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCc2nnnn2CC1 ZINC000333629276 288132931 /nfs/dbraw/zinc/13/29/31/288132931.db2.gz ARSULURSRGJGPX-NQBHXWOUSA-N 2 2 276.388 0.450 10 0 CCAELP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCc2nnnn2CC1 ZINC000333629276 288132932 /nfs/dbraw/zinc/13/29/32/288132932.db2.gz ARSULURSRGJGPX-NQBHXWOUSA-N 2 2 276.388 0.450 10 0 CCAELP C[C@@H]1C[N@H+](CC[C@H]2CCC[NH+]2C)C[C@@H](C(N)=O)O1 ZINC000248132074 297009512 /nfs/dbraw/zinc/00/95/12/297009512.db2.gz WQTZYIOGUCXMFN-UTUOFQBUSA-N 2 2 255.362 0.045 10 0 CCAELP C[C@@H]1C[N@@H+](CC[C@H]2CCC[NH+]2C)C[C@@H](C(N)=O)O1 ZINC000248132074 297009515 /nfs/dbraw/zinc/00/95/15/297009515.db2.gz WQTZYIOGUCXMFN-UTUOFQBUSA-N 2 2 255.362 0.045 10 0 CCAELP C[C@@H]1C[NH+](CC[C@H]2CCC[N@@H+]2C)C[C@@H](C(N)=O)O1 ZINC000248132074 297009517 /nfs/dbraw/zinc/00/95/17/297009517.db2.gz WQTZYIOGUCXMFN-UTUOFQBUSA-N 2 2 255.362 0.045 10 0 CCAELP C[C@@H]1C[NH+](CC[C@H]2CCC[N@H+]2C)C[C@@H](C(N)=O)O1 ZINC000248132074 297009519 /nfs/dbraw/zinc/00/95/19/297009519.db2.gz WQTZYIOGUCXMFN-UTUOFQBUSA-N 2 2 255.362 0.045 10 0 CCAELP CC(C)C[C@H](C[NH+](C)C)[NH2+]CCN1CCOCC1 ZINC000049556045 519340418 /nfs/dbraw/zinc/34/04/18/519340418.db2.gz MXCPEANMBXLENR-CQSZACIVSA-N 2 2 257.422 0.885 10 0 CCAELP COC(=O)[C@@](C)([NH3+])CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000062969198 523817731 /nfs/dbraw/zinc/81/77/31/523817731.db2.gz IXGOUMLWDDTBAZ-AAEUAGOBSA-N 2 2 255.362 0.047 10 0 CCAELP C[C@@H](CC[NH2+]C1CC1)[N@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000052482986 524498393 /nfs/dbraw/zinc/49/83/93/524498393.db2.gz KEDNHWBIDRTWGA-CMPLNLGQSA-N 2 2 260.403 0.636 10 0 CCAELP C[C@@H](CC[NH2+]C1CC1)[N@@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000052482986 524498401 /nfs/dbraw/zinc/49/84/01/524498401.db2.gz KEDNHWBIDRTWGA-CMPLNLGQSA-N 2 2 260.403 0.636 10 0 CCAELP CCNC(=O)CC[NH2+][C@@H]1CCC[C@@H]1[N@@H+]1CC[C@@H](O)C1 ZINC000886077929 615463508 /nfs/dbraw/zinc/46/35/08/615463508.db2.gz KEPCPXVCKRRTBJ-UPJWGTAASA-N 2 2 269.389 0.090 10 0 CCAELP CCNC(=O)CC[NH2+][C@@H]1CCC[C@@H]1[N@H+]1CC[C@@H](O)C1 ZINC000886077929 615463509 /nfs/dbraw/zinc/46/35/09/615463509.db2.gz KEPCPXVCKRRTBJ-UPJWGTAASA-N 2 2 269.389 0.090 10 0 CCAELP C[C@H]1CN(C(=O)C[N@H+](C)[C@@H]2CCC[NH2+]CC2)CCO1 ZINC000231670361 637225951 /nfs/dbraw/zinc/22/59/51/637225951.db2.gz AXIKKKGTQXWVRP-QWHCGFSZSA-N 2 2 269.389 0.308 10 0 CCAELP C[C@H]1CN(C(=O)C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)CCO1 ZINC000231670361 637225955 /nfs/dbraw/zinc/22/59/55/637225955.db2.gz AXIKKKGTQXWVRP-QWHCGFSZSA-N 2 2 269.389 0.308 10 0 CCAELP CC[NH2+]Cc1nc([C@H]2C[N@@H+]3CCC[C@@H]3CO2)no1 ZINC000091686478 649709578 /nfs/dbraw/zinc/70/95/78/649709578.db2.gz WOYJOIAAWOJCLD-NXEZZACHSA-N 2 2 252.318 0.715 10 0 CCAELP CC[NH2+]Cc1nc([C@H]2C[N@H+]3CCC[C@@H]3CO2)no1 ZINC000091686478 649709583 /nfs/dbraw/zinc/70/95/83/649709583.db2.gz WOYJOIAAWOJCLD-NXEZZACHSA-N 2 2 252.318 0.715 10 0 CCAELP C[C@@H](CNC(=O)NC[C@@H]1C[N@H+](C)CCO1)C[NH+]1CCCC1 ZINC000105161237 349721937 /nfs/dbraw/zinc/72/19/37/349721937.db2.gz MFCHWCFNALDRHL-UONOGXRCSA-N 2 2 298.431 0.348 10 0 CCAELP C[C@@H](CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1)C[NH+]1CCCC1 ZINC000105161237 349721941 /nfs/dbraw/zinc/72/19/41/349721941.db2.gz MFCHWCFNALDRHL-UONOGXRCSA-N 2 2 298.431 0.348 10 0 CCAELP O=C(C1C[NH2+]C1)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000262189655 137030320 /nfs/dbraw/zinc/03/03/20/137030320.db2.gz FWZBIHGOOPUWHC-HNNXBMFYSA-N 2 2 289.379 0.084 10 0 CCAELP O=C(NCc1ccccc1-n1cc[nH+]c1)C1C[NH2+]C1 ZINC000262203071 137030861 /nfs/dbraw/zinc/03/08/61/137030861.db2.gz HPPHGKSRTXSGIX-UHFFFAOYSA-N 2 2 256.309 0.708 10 0 CCAELP Cn1c(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)nc2ccccc21 ZINC000263228114 137061021 /nfs/dbraw/zinc/06/10/21/137061021.db2.gz NBXJCKJDGDXWPI-MFKMUULPSA-N 2 2 260.341 0.243 10 0 CCAELP C[C@H](C(=O)NCc1ccco1)[NH+]1CCC([NH3+])CC1 ZINC000034939794 348153748 /nfs/dbraw/zinc/15/37/48/348153748.db2.gz XOPKJXUJSJHHDU-SNVBAGLBSA-N 2 2 251.330 0.707 10 0 CCAELP CC(C)S(=O)(=O)CC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261556128 535095615 /nfs/dbraw/zinc/09/56/15/535095615.db2.gz QIRFVQGNDJQAFX-GFCCVEGCSA-N 2 2 260.403 0.495 10 0 CCAELP CC(C)S(=O)(=O)CC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261556128 535095618 /nfs/dbraw/zinc/09/56/18/535095618.db2.gz QIRFVQGNDJQAFX-GFCCVEGCSA-N 2 2 260.403 0.495 10 0 CCAELP O=C(C[C@H]1CSCC[NH2+]1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000091291304 180122603 /nfs/dbraw/zinc/12/26/03/180122603.db2.gz RFZRPNZNXJIIAD-QWHCGFSZSA-N 2 2 299.440 0.015 10 0 CCAELP C[NH+](C)CCCNC(=O)[C@@H]1CCCn2cc[nH+]c21 ZINC000175919843 351148606 /nfs/dbraw/zinc/14/86/06/351148606.db2.gz BCIBADPOIYADCB-LLVKDONJSA-N 2 2 250.346 0.828 10 0 CCAELP CC[C@H]1CN(Cc2c[nH]c[nH+]2)CC[N@@H+]1CCOC ZINC000179512387 351270216 /nfs/dbraw/zinc/27/02/16/351270216.db2.gz KSRQCYBVXSARMC-ZDUSSCGKSA-N 2 2 252.362 0.952 10 0 CCAELP CC[C@H]1CN(Cc2c[nH]c[nH+]2)CC[N@H+]1CCOC ZINC000179512387 351270219 /nfs/dbraw/zinc/27/02/19/351270219.db2.gz KSRQCYBVXSARMC-ZDUSSCGKSA-N 2 2 252.362 0.952 10 0 CCAELP C[NH+](C)C[C@H]1CN(Cc2cc[nH+]c(N)c2)CCO1 ZINC000193339227 351823519 /nfs/dbraw/zinc/82/35/19/351823519.db2.gz BAFKJHCEPDRSLL-LBPRGKRZSA-N 2 2 250.346 0.426 10 0 CCAELP C[NH+](C)C[C@@H]1CN(Cc2cc[nH+]c(N)c2)CCO1 ZINC000193339218 351824195 /nfs/dbraw/zinc/82/41/95/351824195.db2.gz BAFKJHCEPDRSLL-GFCCVEGCSA-N 2 2 250.346 0.426 10 0 CCAELP CCCCNC(=O)[C@@H](C)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193620361 351836304 /nfs/dbraw/zinc/83/63/04/351836304.db2.gz CUVQSMYJVJAIDO-UPJWGTAASA-N 2 2 253.390 0.785 10 0 CCAELP CCCCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193620361 351836309 /nfs/dbraw/zinc/83/63/09/351836309.db2.gz CUVQSMYJVJAIDO-UPJWGTAASA-N 2 2 253.390 0.785 10 0 CCAELP CCCCNC(=O)[C@@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193620361 351836311 /nfs/dbraw/zinc/83/63/11/351836311.db2.gz CUVQSMYJVJAIDO-UPJWGTAASA-N 2 2 253.390 0.785 10 0 CCAELP CCCCNC(=O)[C@@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193620361 351836314 /nfs/dbraw/zinc/83/63/14/351836314.db2.gz CUVQSMYJVJAIDO-UPJWGTAASA-N 2 2 253.390 0.785 10 0 CCAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+]([C@@H]2CCNC2=O)C1 ZINC000195270943 351906778 /nfs/dbraw/zinc/90/67/78/351906778.db2.gz ATLXXFATDZQLEH-LSDHHAIUSA-N 2 2 288.395 0.724 10 0 CCAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+]([C@@H]2CCNC2=O)C1 ZINC000195270943 351906781 /nfs/dbraw/zinc/90/67/81/351906781.db2.gz ATLXXFATDZQLEH-LSDHHAIUSA-N 2 2 288.395 0.724 10 0 CCAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC000195270943 351906784 /nfs/dbraw/zinc/90/67/84/351906784.db2.gz ATLXXFATDZQLEH-LSDHHAIUSA-N 2 2 288.395 0.724 10 0 CCAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC000195270943 351906788 /nfs/dbraw/zinc/90/67/88/351906788.db2.gz ATLXXFATDZQLEH-LSDHHAIUSA-N 2 2 288.395 0.724 10 0 CCAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CCOCCO)C1 ZINC000195271220 351907159 /nfs/dbraw/zinc/90/71/59/351907159.db2.gz GLNCJURXBAEGQM-INIZCTEOSA-N 2 2 293.411 0.844 10 0 CCAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CCOCCO)C1 ZINC000195271220 351907160 /nfs/dbraw/zinc/90/71/60/351907160.db2.gz GLNCJURXBAEGQM-INIZCTEOSA-N 2 2 293.411 0.844 10 0 CCAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](CCOCCO)C1 ZINC000195271220 351907161 /nfs/dbraw/zinc/90/71/61/351907161.db2.gz GLNCJURXBAEGQM-INIZCTEOSA-N 2 2 293.411 0.844 10 0 CCAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](CCOCCO)C1 ZINC000195271220 351907162 /nfs/dbraw/zinc/90/71/62/351907162.db2.gz GLNCJURXBAEGQM-INIZCTEOSA-N 2 2 293.411 0.844 10 0 CCAELP CC[N@H+](CCCNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)c1ccccc1 ZINC000226827721 352034409 /nfs/dbraw/zinc/03/44/09/352034409.db2.gz GTIOLQRVNHVNTI-HUUCEWRRSA-N 2 2 291.395 0.742 10 0 CCAELP CC[N@@H+](CCCNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)c1ccccc1 ZINC000226827721 352034415 /nfs/dbraw/zinc/03/44/15/352034415.db2.gz GTIOLQRVNHVNTI-HUUCEWRRSA-N 2 2 291.395 0.742 10 0 CCAELP Cn1c2ccccc2nc1N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000250811561 352508447 /nfs/dbraw/zinc/50/84/47/352508447.db2.gz XOONJXJFEHZKNG-LLVKDONJSA-N 2 2 259.357 0.652 10 0 CCAELP Cn1c2ccccc2nc1N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000250811561 352508450 /nfs/dbraw/zinc/50/84/50/352508450.db2.gz XOONJXJFEHZKNG-LLVKDONJSA-N 2 2 259.357 0.652 10 0 CCAELP Cc1ncsc1C[NH2+]C1CC[NH+](CCO)CC1 ZINC000399014782 357780611 /nfs/dbraw/zinc/78/06/11/357780611.db2.gz CXAQHDDIOGFONC-UHFFFAOYSA-N 2 2 255.387 0.998 10 0 CCAELP CCN1CC[C@H]2C[N@H+](CCC[NH+](C)C)CCN2C1=O ZINC000584640113 359185225 /nfs/dbraw/zinc/18/52/25/359185225.db2.gz QYLPIHLYZUDPDG-ZDUSSCGKSA-N 2 2 268.405 0.770 10 0 CCAELP CCN1CC[C@H]2C[N@@H+](CCC[NH+](C)C)CCN2C1=O ZINC000584640113 359185228 /nfs/dbraw/zinc/18/52/28/359185228.db2.gz QYLPIHLYZUDPDG-ZDUSSCGKSA-N 2 2 268.405 0.770 10 0 CCAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC000178200388 189097176 /nfs/dbraw/zinc/09/71/76/189097176.db2.gz HOZGNZULONNJQJ-VXGBXAGGSA-N 2 2 262.357 0.971 10 0 CCAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1 ZINC000178200388 189097177 /nfs/dbraw/zinc/09/71/77/189097177.db2.gz HOZGNZULONNJQJ-VXGBXAGGSA-N 2 2 262.357 0.971 10 0 CCAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCN1C(=O)CNC1=O ZINC000178296114 189103738 /nfs/dbraw/zinc/10/37/38/189103738.db2.gz GGMOWQOBYDNPEO-LBPRGKRZSA-N 2 2 291.355 0.208 10 0 CCAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCN1C(=O)CNC1=O ZINC000178296114 189103739 /nfs/dbraw/zinc/10/37/39/189103739.db2.gz GGMOWQOBYDNPEO-LBPRGKRZSA-N 2 2 291.355 0.208 10 0 CCAELP [NH3+]Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)cc1 ZINC000186452208 189439085 /nfs/dbraw/zinc/43/90/85/189439085.db2.gz ISKCSHZJHPJWMZ-OAHLLOKOSA-N 2 2 289.379 0.738 10 0 CCAELP [NH3+]Cc1ccc(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)cc1 ZINC000186452208 189439086 /nfs/dbraw/zinc/43/90/86/189439086.db2.gz ISKCSHZJHPJWMZ-OAHLLOKOSA-N 2 2 289.379 0.738 10 0 CCAELP [NH3+]CC[N@@H+]1CCCOC[C@H]1c1cccc(CCO)c1 ZINC000616645596 365404131 /nfs/dbraw/zinc/40/41/31/365404131.db2.gz PEYPSJYJVSVJQN-HNNXBMFYSA-N 2 2 264.369 0.944 10 0 CCAELP [NH3+]CC[N@H+]1CCCOC[C@H]1c1cccc(CCO)c1 ZINC000616645596 365404133 /nfs/dbraw/zinc/40/41/33/365404133.db2.gz PEYPSJYJVSVJQN-HNNXBMFYSA-N 2 2 264.369 0.944 10 0 CCAELP CO[C@@H]1C[N@H+](CCn2cc(C)cn2)[C@](C)(C[NH3+])C1 ZINC000630365489 370066615 /nfs/dbraw/zinc/06/66/15/370066615.db2.gz IKMXAZNBDXICCB-STQMWFEESA-N 2 2 252.362 0.630 10 0 CCAELP CO[C@@H]1C[N@@H+](CCn2cc(C)cn2)[C@](C)(C[NH3+])C1 ZINC000630365489 370066619 /nfs/dbraw/zinc/06/66/19/370066619.db2.gz IKMXAZNBDXICCB-STQMWFEESA-N 2 2 252.362 0.630 10 0 CCAELP CO[C@@H]1C[N@H+](CCN2CCCC2=O)[C@@](C)(C[NH3+])C1 ZINC000630366704 370067774 /nfs/dbraw/zinc/06/77/74/370067774.db2.gz YOIDYOCDJIVNFX-WCQYABFASA-N 2 2 255.362 0.047 10 0 CCAELP CO[C@@H]1C[N@@H+](CCN2CCCC2=O)[C@@](C)(C[NH3+])C1 ZINC000630366704 370067776 /nfs/dbraw/zinc/06/77/76/370067776.db2.gz YOIDYOCDJIVNFX-WCQYABFASA-N 2 2 255.362 0.047 10 0 CCAELP C[C@H](CNC(=O)CCCCCC[NH3+])[NH+]1CCOCC1 ZINC000237391920 189874422 /nfs/dbraw/zinc/87/44/22/189874422.db2.gz LSYKIXMVCRGDHU-CYBMUJFWSA-N 2 2 271.405 0.733 10 0 CCAELP CC1(C)COCC[N@@H+]1CCNC(=O)NC[C@H]1CC[NH2+]C1 ZINC000333370954 205261927 /nfs/dbraw/zinc/26/19/27/205261927.db2.gz MJOBUEPDPABTQV-LBPRGKRZSA-N 2 2 284.404 0.006 10 0 CCAELP CC1(C)COCC[N@H+]1CCNC(=O)NC[C@H]1CC[NH2+]C1 ZINC000333370954 205261930 /nfs/dbraw/zinc/26/19/30/205261930.db2.gz MJOBUEPDPABTQV-LBPRGKRZSA-N 2 2 284.404 0.006 10 0 CCAELP Cc1cc2ccccc2[nH+]c1NC[C@H]1C[NH2+]C[C@H]1O ZINC000643040268 377702662 /nfs/dbraw/zinc/70/26/62/377702662.db2.gz OVISTTUKEWSQIB-TZMCWYRMSA-N 2 2 257.337 0.957 10 0 CCAELP COCC[N@@H+]1CCN(c2cc[nH+]cc2C(N)=O)C[C@H]1C ZINC000302033275 389062040 /nfs/dbraw/zinc/06/20/40/389062040.db2.gz ODNBRWTZDCJJMU-LLVKDONJSA-N 2 2 278.356 0.337 10 0 CCAELP COCC[N@H+]1CCN(c2cc[nH+]cc2C(N)=O)C[C@H]1C ZINC000302033275 389062041 /nfs/dbraw/zinc/06/20/41/389062041.db2.gz ODNBRWTZDCJJMU-LLVKDONJSA-N 2 2 278.356 0.337 10 0 CCAELP C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000105144450 389085736 /nfs/dbraw/zinc/08/57/36/389085736.db2.gz DXQGEAFLNRHSHU-JSGCOSHPSA-N 2 2 296.415 0.101 10 0 CCAELP C[N@H+]1CCO[C@@H](CNC(=O)NC[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000105144450 389085740 /nfs/dbraw/zinc/08/57/40/389085740.db2.gz DXQGEAFLNRHSHU-JSGCOSHPSA-N 2 2 296.415 0.101 10 0 CCAELP C[NH+]1CCO[C@@H](CNC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000105144450 389085743 /nfs/dbraw/zinc/08/57/43/389085743.db2.gz DXQGEAFLNRHSHU-JSGCOSHPSA-N 2 2 296.415 0.101 10 0 CCAELP C[NH+]1CCO[C@@H](CNC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000105144450 389085746 /nfs/dbraw/zinc/08/57/46/389085746.db2.gz DXQGEAFLNRHSHU-JSGCOSHPSA-N 2 2 296.415 0.101 10 0 CCAELP CCC[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000236877625 389176084 /nfs/dbraw/zinc/17/60/84/389176084.db2.gz OTYGBNUFOOGAAK-RYUDHWBXSA-N 2 2 255.362 0.093 10 0 CCAELP CCC[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000236877625 389176087 /nfs/dbraw/zinc/17/60/87/389176087.db2.gz OTYGBNUFOOGAAK-RYUDHWBXSA-N 2 2 255.362 0.093 10 0 CCAELP CCC[C@@H](C(=O)N[C@H](C)C[NH+]1CCOCC1)[NH+](C)C ZINC000136033194 389263433 /nfs/dbraw/zinc/26/34/33/389263433.db2.gz KZSRBYCNXCSVSG-OLZOCXBDSA-N 2 2 271.405 0.554 10 0 CCAELP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)COCc2ccco2)C1 ZINC000389416160 389771468 /nfs/dbraw/zinc/77/14/68/389771468.db2.gz UFUICXWIHNITTL-QWHCGFSZSA-N 2 2 268.357 0.841 10 0 CCAELP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)COCc2ccco2)C1 ZINC000389416160 389771471 /nfs/dbraw/zinc/77/14/71/389771471.db2.gz UFUICXWIHNITTL-QWHCGFSZSA-N 2 2 268.357 0.841 10 0 CCAELP CNc1nc(N2CCCO[C@@H](C[NH3+])C2)[nH+]c2ccccc21 ZINC000420287182 389978303 /nfs/dbraw/zinc/97/83/03/389978303.db2.gz RFZOGRIYOAAJGA-NSHDSACASA-N 2 2 287.367 0.647 10 0 CCAELP CC(C)n1nnnc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000571325747 390731219 /nfs/dbraw/zinc/73/12/19/390731219.db2.gz RQWAWRRXQIPRPE-AXFHLTTASA-N 2 2 250.350 0.423 10 0 CCAELP CC(C)n1nnnc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000571325747 390731220 /nfs/dbraw/zinc/73/12/20/390731220.db2.gz RQWAWRRXQIPRPE-AXFHLTTASA-N 2 2 250.350 0.423 10 0 CCAELP O=C([C@H]1CC12CC[NH2+]CC2)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000070256639 411692128 /nfs/dbraw/zinc/69/21/28/411692128.db2.gz CWEIDJQIFKDZFY-UONOGXRCSA-N 2 2 293.411 0.309 10 0 CCAELP C[NH+](C)CCC[NH2+][C@H]1CC(=O)N(c2ccccc2)C1=O ZINC000035179228 172032609 /nfs/dbraw/zinc/03/26/09/172032609.db2.gz MDTYDIGKPSAVEE-ZDUSSCGKSA-N 2 2 275.352 0.860 10 0 CCAELP Cc1ccc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)o1 ZINC000038031037 174024773 /nfs/dbraw/zinc/02/47/73/174024773.db2.gz MDJDKAAFMFNXPI-UHFFFAOYSA-N 2 2 251.330 0.452 10 0 CCAELP Cc1ccc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)o1 ZINC000038031037 174024775 /nfs/dbraw/zinc/02/47/75/174024775.db2.gz MDJDKAAFMFNXPI-UHFFFAOYSA-N 2 2 251.330 0.452 10 0 CCAELP O=C(N[C@H]1C[C@H]2C[C@@H]1C[NH2+]2)c1ccc2[nH+]ccn2c1 ZINC000039073316 174162607 /nfs/dbraw/zinc/16/26/07/174162607.db2.gz FJFCUQGQWCMREA-UTUOFQBUSA-N 2 2 256.309 0.815 10 0 CCAELP CCN(CC)c1nc[nH+]c(NN2CC[NH+](C)CC2)c1N ZINC000040723193 174385203 /nfs/dbraw/zinc/38/52/03/174385203.db2.gz QZNGPJRNWOYPQF-UHFFFAOYSA-N 2 2 279.392 0.479 10 0 CCAELP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)NCc2ccco2)C1 ZINC000071147088 176043135 /nfs/dbraw/zinc/04/31/35/176043135.db2.gz KCCBADWNXDZBTK-NSHDSACASA-N 2 2 251.330 0.437 10 0 CCAELP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)NCc2ccco2)C1 ZINC000071147088 176043136 /nfs/dbraw/zinc/04/31/36/176043136.db2.gz KCCBADWNXDZBTK-NSHDSACASA-N 2 2 251.330 0.437 10 0 CCAELP C[C@H]1OCC[C@@H]1NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000124839579 544589629 /nfs/dbraw/zinc/58/96/29/544589629.db2.gz ARYKKBXSMYKDAE-OCCSQVGLSA-N 2 2 298.431 0.489 10 0 CCAELP CO[C@@H]1CCC[C@@H]([NH2+][C@H]2CCC[N@H+](CCO)C2)C1 ZINC000384554615 545085175 /nfs/dbraw/zinc/08/51/75/545085175.db2.gz IWBFWHRCJCQYEZ-HZSPNIEDSA-N 2 2 256.390 0.990 10 0 CCAELP CO[C@@H]1CCC[C@@H]([NH2+][C@H]2CCC[N@@H+](CCO)C2)C1 ZINC000384554615 545085176 /nfs/dbraw/zinc/08/51/76/545085176.db2.gz IWBFWHRCJCQYEZ-HZSPNIEDSA-N 2 2 256.390 0.990 10 0 CCAELP CC(C)[N@H+](C)C[C@@H](O)CN1CCn2cc[nH+]c2C1 ZINC000386119379 545085785 /nfs/dbraw/zinc/08/57/85/545085785.db2.gz MLCJJULQKMKLEF-GFCCVEGCSA-N 2 2 252.362 0.400 10 0 CCAELP CC(C)[N@@H+](C)C[C@@H](O)CN1CCn2cc[nH+]c2C1 ZINC000386119379 545085786 /nfs/dbraw/zinc/08/57/86/545085786.db2.gz MLCJJULQKMKLEF-GFCCVEGCSA-N 2 2 252.362 0.400 10 0 CCAELP [NH3+]CCCC(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000573602574 327201152 /nfs/dbraw/zinc/20/11/52/327201152.db2.gz QSJQAMMQVQNYKK-UHFFFAOYSA-N 2 2 282.413 0.916 10 0 CCAELP [NH3+]CCCC(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000573602574 327201154 /nfs/dbraw/zinc/20/11/54/327201154.db2.gz QSJQAMMQVQNYKK-UHFFFAOYSA-N 2 2 282.413 0.916 10 0 CCAELP CC[NH+]1CCC([N@H+](C)CCn2cc(C[NH3+])nn2)CC1 ZINC000052544018 521561822 /nfs/dbraw/zinc/56/18/22/521561822.db2.gz NZZPXBOCIOFUNS-UHFFFAOYSA-N 3 2 266.393 0.153 10 0 CCAELP CC[NH+]1CCC([N@@H+](C)CCn2cc(C[NH3+])nn2)CC1 ZINC000052544018 521561829 /nfs/dbraw/zinc/56/18/29/521561829.db2.gz NZZPXBOCIOFUNS-UHFFFAOYSA-N 3 2 266.393 0.153 10 0 CCAELP C[NH2+]Cc1cn(CC[N@H+](C)C2CC[NH+](C)CC2)nn1 ZINC000052419854 522142027 /nfs/dbraw/zinc/14/20/27/522142027.db2.gz LWCUFNXDUUTAAA-UHFFFAOYSA-N 3 2 266.393 0.024 10 0 CCAELP C[NH2+]Cc1cn(CC[N@@H+](C)C2CC[NH+](C)CC2)nn1 ZINC000052419854 522142035 /nfs/dbraw/zinc/14/20/35/522142035.db2.gz LWCUFNXDUUTAAA-UHFFFAOYSA-N 3 2 266.393 0.024 10 0 CCAELP C[NH+](C)[C@@H](CNC(=O)C1C[NH2+]C1)c1c(F)cccc1F ZINC000262268144 536125733 /nfs/dbraw/zinc/12/57/33/536125733.db2.gz SJTXMESZZUFAAZ-LBPRGKRZSA-N 2 2 283.322 0.903 10 0 CCAELP COC[C@@H]([NH3+])C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000262328083 536655316 /nfs/dbraw/zinc/65/53/16/536655316.db2.gz RGHWVJTWTOBESQ-NWDGAFQWSA-N 2 2 280.372 0.175 10 0 CCAELP CC[NH2+]Cc1nc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)no1 ZINC000091686475 624971708 /nfs/dbraw/zinc/97/17/08/624971708.db2.gz WOYJOIAAWOJCLD-ZJUUUORDSA-N 2 2 252.318 0.715 10 0 CCAELP CC[NH2+]Cc1nc([C@@H]2C[N@H+]3CCC[C@@H]3CO2)no1 ZINC000091686475 624971735 /nfs/dbraw/zinc/97/17/35/624971735.db2.gz WOYJOIAAWOJCLD-ZJUUUORDSA-N 2 2 252.318 0.715 10 0 CCAELP O=S(=O)([C@H]1CCC[NH2+]C1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000227382872 637023313 /nfs/dbraw/zinc/02/33/13/637023313.db2.gz HMGVRNVWHQFJJC-OLZOCXBDSA-N 2 2 287.429 0.238 10 0 CCAELP O=S(=O)([C@H]1CCC[NH2+]C1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000227382872 637023318 /nfs/dbraw/zinc/02/33/18/637023318.db2.gz HMGVRNVWHQFJJC-OLZOCXBDSA-N 2 2 287.429 0.238 10 0 CCAELP CCc1nsc(NCC[NH+]2CCC([NH3+])CC2)n1 ZINC000321528831 639833782 /nfs/dbraw/zinc/83/37/82/639833782.db2.gz IQEZXCFEVISHOO-UHFFFAOYSA-N 2 2 255.391 0.936 10 0 CCAELP C[C@H]1CN(C(=O)C[N@H+](C)[C@H]2CCC[NH2+]CC2)CCO1 ZINC000300241354 648106268 /nfs/dbraw/zinc/10/62/68/648106268.db2.gz AXIKKKGTQXWVRP-STQMWFEESA-N 2 2 269.389 0.308 10 0 CCAELP C[C@H]1CN(C(=O)C[N@@H+](C)[C@H]2CCC[NH2+]CC2)CCO1 ZINC000300241354 648106277 /nfs/dbraw/zinc/10/62/77/648106277.db2.gz AXIKKKGTQXWVRP-STQMWFEESA-N 2 2 269.389 0.308 10 0 CCAELP C[N@@H+]1CCO[C@@H](CNC(=O)CCC2CC[NH2+]CC2)C1 ZINC000091669415 349473275 /nfs/dbraw/zinc/47/32/75/349473275.db2.gz DLSYKCFFMDVQRP-ZDUSSCGKSA-N 2 2 269.389 0.213 10 0 CCAELP C[N@H+]1CCO[C@@H](CNC(=O)CCC2CC[NH2+]CC2)C1 ZINC000091669415 349473279 /nfs/dbraw/zinc/47/32/79/349473279.db2.gz DLSYKCFFMDVQRP-ZDUSSCGKSA-N 2 2 269.389 0.213 10 0 CCAELP C[C@@H]1C[N@H+](CCC[NH+]2CCCC2)C[C@H](C(N)=O)O1 ZINC000119432566 349936220 /nfs/dbraw/zinc/93/62/20/349936220.db2.gz JGFYPJQKVGXMBT-VXGBXAGGSA-N 2 2 255.362 0.047 10 0 CCAELP C[C@@H]1C[N@@H+](CCC[NH+]2CCCC2)C[C@H](C(N)=O)O1 ZINC000119432566 349936222 /nfs/dbraw/zinc/93/62/22/349936222.db2.gz JGFYPJQKVGXMBT-VXGBXAGGSA-N 2 2 255.362 0.047 10 0 CCAELP C[NH+](C)CC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000184666941 136904707 /nfs/dbraw/zinc/90/47/07/136904707.db2.gz CQHJPUHIGXBKSJ-UHFFFAOYSA-N 2 2 262.357 0.682 10 0 CCAELP CCCS(=O)(=O)CC[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261544383 137006988 /nfs/dbraw/zinc/00/69/88/137006988.db2.gz DWPQSJCSHDTZLX-SDDRHHMPSA-N 2 2 260.403 0.480 10 0 CCAELP CCCS(=O)(=O)CC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261544383 137006989 /nfs/dbraw/zinc/00/69/89/137006989.db2.gz DWPQSJCSHDTZLX-SDDRHHMPSA-N 2 2 260.403 0.480 10 0 CCAELP O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1cccc(-n2cc[nH+]c2)c1 ZINC000262363505 137040221 /nfs/dbraw/zinc/04/02/21/137040221.db2.gz VITQTJSPDVFTRL-TZMCWYRMSA-N 2 2 286.335 0.182 10 0 CCAELP COc1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)c(OC)c1OC ZINC000263166066 137059568 /nfs/dbraw/zinc/05/95/68/137059568.db2.gz FEFMBVBWCLAZOM-NEPJUHHUSA-N 2 2 296.367 0.382 10 0 CCAELP Cc1[nH+]cc(CNC[C@H]2C[NH2+]C[C@H]2O)n1-c1ccccc1 ZINC000263154594 137059065 /nfs/dbraw/zinc/05/90/65/137059065.db2.gz DHDBIQHOTHKGPN-XJKSGUPXSA-N 2 2 286.379 0.851 10 0 CCAELP Cn1c(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)nc2cc(Cl)ccc21 ZINC000263319087 137063713 /nfs/dbraw/zinc/06/37/13/137063713.db2.gz ZXLJEDUPIYFMSV-NOZJJQNGSA-N 2 2 294.786 0.897 10 0 CCAELP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1nccn1Cc1ccccc1 ZINC000263199718 137060059 /nfs/dbraw/zinc/06/00/59/137060059.db2.gz IVKOSNQYUQHGQB-HUUCEWRRSA-N 2 2 286.379 0.601 10 0 CCAELP O[C@@H]1C[NH2+]C[C@@H]1CNCc1[nH+]ccn1Cc1ccccc1 ZINC000263199718 137060060 /nfs/dbraw/zinc/06/00/60/137060060.db2.gz IVKOSNQYUQHGQB-HUUCEWRRSA-N 2 2 286.379 0.601 10 0 CCAELP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC000263226266 137060927 /nfs/dbraw/zinc/06/09/27/137060927.db2.gz MVSDTDMFGDBJFP-SWLSCSKDSA-N 2 2 272.352 0.542 10 0 CCAELP C[C@H](C[NH+]1CCOCC1)NC(=O)C1CCC([NH3+])CC1 ZINC000037627071 348195905 /nfs/dbraw/zinc/19/59/05/348195905.db2.gz JAGFFTJMLBQMLK-PNESKVBLSA-N 2 2 269.389 0.341 10 0 CCAELP CC(C)(C(=O)NCCCCn1cc[nH+]c1)N1CC[NH2+]CC1 ZINC000129720406 350221449 /nfs/dbraw/zinc/22/14/49/350221449.db2.gz RRVSCECIJQFTHM-UHFFFAOYSA-N 2 2 293.415 0.463 10 0 CCAELP COc1c(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c(C)nn1C ZINC000134406228 350363960 /nfs/dbraw/zinc/36/39/60/350363960.db2.gz SBBGHMMNHGYLQD-OLZOCXBDSA-N 2 2 294.399 0.690 10 0 CCAELP COc1c(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)c(C)nn1C ZINC000134406228 350363962 /nfs/dbraw/zinc/36/39/62/350363962.db2.gz SBBGHMMNHGYLQD-OLZOCXBDSA-N 2 2 294.399 0.690 10 0 CCAELP CCNC(=O)C[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000136069808 350414946 /nfs/dbraw/zinc/41/49/46/350414946.db2.gz GIQSNFZHKHZEFG-AWEZNQCLSA-N 2 2 282.432 0.224 10 0 CCAELP CCNC(=O)C[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000136069808 350414949 /nfs/dbraw/zinc/41/49/49/350414949.db2.gz GIQSNFZHKHZEFG-AWEZNQCLSA-N 2 2 282.432 0.224 10 0 CCAELP CC[C@H]1CN(Cc2[nH+]ccn2C)CC[N@@H+]1CCOC ZINC000105837061 186076275 /nfs/dbraw/zinc/07/62/75/186076275.db2.gz PYVOORGJKNWUJR-ZDUSSCGKSA-N 2 2 266.389 0.963 10 0 CCAELP CC[C@H]1CN(Cc2[nH+]ccn2C)CC[N@H+]1CCOC ZINC000105837061 186076276 /nfs/dbraw/zinc/07/62/76/186076276.db2.gz PYVOORGJKNWUJR-ZDUSSCGKSA-N 2 2 266.389 0.963 10 0 CCAELP COC(=O)C[N@H+](C)CCOc1ccc(CC[NH3+])cc1 ZINC000109603577 186266329 /nfs/dbraw/zinc/26/63/29/186266329.db2.gz HENNPUVMONTXRJ-UHFFFAOYSA-N 2 2 266.341 0.671 10 0 CCAELP COC(=O)C[N@@H+](C)CCOc1ccc(CC[NH3+])cc1 ZINC000109603577 186266331 /nfs/dbraw/zinc/26/63/31/186266331.db2.gz HENNPUVMONTXRJ-UHFFFAOYSA-N 2 2 266.341 0.671 10 0 CCAELP CCC[C@@H](C(=O)NC[C@H](C)[NH+]1CCOCC1)[NH+](C)C ZINC000161512706 350723221 /nfs/dbraw/zinc/72/32/21/350723221.db2.gz MLAFGEQBVIFLBY-STQMWFEESA-N 2 2 271.405 0.554 10 0 CCAELP C[NH+](C)C[C@@H]1C[N@H+](C)C[C@H]1NC(=O)NC1CCCC1 ZINC000169790650 350840730 /nfs/dbraw/zinc/84/07/30/350840730.db2.gz XJACDGRLBNRMRT-DGCLKSJQSA-N 2 2 268.405 0.720 10 0 CCAELP C[NH+](C)C[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)NC1CCCC1 ZINC000169790650 350840735 /nfs/dbraw/zinc/84/07/35/350840735.db2.gz XJACDGRLBNRMRT-DGCLKSJQSA-N 2 2 268.405 0.720 10 0 CCAELP Cn1cc(C[N@@H+]2CCCN(Cc3[nH]cc[nH+]3)CC2)cn1 ZINC000111228893 186371330 /nfs/dbraw/zinc/37/13/30/186371330.db2.gz KWFWXXCOOKEKBS-UHFFFAOYSA-N 2 2 274.372 0.851 10 0 CCAELP Cn1cc(C[N@H+]2CCCN(Cc3[nH]cc[nH+]3)CC2)cn1 ZINC000111228893 186371332 /nfs/dbraw/zinc/37/13/32/186371332.db2.gz KWFWXXCOOKEKBS-UHFFFAOYSA-N 2 2 274.372 0.851 10 0 CCAELP C[C@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)[NH+]1CCOCC1 ZINC000170829552 350865936 /nfs/dbraw/zinc/86/59/36/350865936.db2.gz PZGRAWUTRBYFEK-CHWSQXEVSA-N 2 2 284.404 0.053 10 0 CCAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCOCCO ZINC000178331242 351228527 /nfs/dbraw/zinc/22/85/27/351228527.db2.gz LVVBXHRNSDFCEG-ZDUSSCGKSA-N 2 2 253.346 0.665 10 0 CCAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCOCCO ZINC000178331242 351228533 /nfs/dbraw/zinc/22/85/33/351228533.db2.gz LVVBXHRNSDFCEG-ZDUSSCGKSA-N 2 2 253.346 0.665 10 0 CCAELP CCOCC[N@@H+]1CCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)C[C@@H]1C ZINC000188762291 351625861 /nfs/dbraw/zinc/62/58/61/351625861.db2.gz RZLBOMXTNYADOJ-RWMBFGLXSA-N 2 2 287.379 0.256 10 0 CCAELP CCOCC[N@H+]1CCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)C[C@@H]1C ZINC000188762291 351625865 /nfs/dbraw/zinc/62/58/65/351625865.db2.gz RZLBOMXTNYADOJ-RWMBFGLXSA-N 2 2 287.379 0.256 10 0 CCAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@@H](C)c1nnnn1C ZINC000189510193 351685020 /nfs/dbraw/zinc/68/50/20/351685020.db2.gz DFOUWOMOHJABPD-CMPLNLGQSA-N 2 2 275.360 0.941 10 0 CCAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@@H](C)c1nnnn1C ZINC000189510193 351685025 /nfs/dbraw/zinc/68/50/25/351685025.db2.gz DFOUWOMOHJABPD-CMPLNLGQSA-N 2 2 275.360 0.941 10 0 CCAELP COC[C@H](O)C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195287779 351908011 /nfs/dbraw/zinc/90/80/11/351908011.db2.gz MKPJFIJMZKNEPR-HZPDHXFCSA-N 2 2 293.411 0.843 10 0 CCAELP COC[C@H](O)C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195287779 351908016 /nfs/dbraw/zinc/90/80/16/351908016.db2.gz MKPJFIJMZKNEPR-HZPDHXFCSA-N 2 2 293.411 0.843 10 0 CCAELP COC[C@H](O)C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195287779 351908019 /nfs/dbraw/zinc/90/80/19/351908019.db2.gz MKPJFIJMZKNEPR-HZPDHXFCSA-N 2 2 293.411 0.843 10 0 CCAELP COC[C@H](O)C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195287779 351908022 /nfs/dbraw/zinc/90/80/22/351908022.db2.gz MKPJFIJMZKNEPR-HZPDHXFCSA-N 2 2 293.411 0.843 10 0 CCAELP C[N@@H+]1CCN(c2ncnc3sccc32)[C@@H](C[NH3+])C1 ZINC000226621887 352030992 /nfs/dbraw/zinc/03/09/92/352030992.db2.gz FLUIZWOXEWOKDO-VIFPVBQESA-N 2 2 263.370 0.770 10 0 CCAELP C[N@H+]1CCN(c2ncnc3sccc32)[C@@H](C[NH3+])C1 ZINC000226621887 352030994 /nfs/dbraw/zinc/03/09/94/352030994.db2.gz FLUIZWOXEWOKDO-VIFPVBQESA-N 2 2 263.370 0.770 10 0 CCAELP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1COCC[NH2+]1 ZINC000236911552 352226603 /nfs/dbraw/zinc/22/66/03/352226603.db2.gz RISYJSSIQBKVNM-OLZOCXBDSA-N 2 2 269.389 0.356 10 0 CCAELP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1COCC[NH2+]1 ZINC000236911552 352226605 /nfs/dbraw/zinc/22/66/05/352226605.db2.gz RISYJSSIQBKVNM-OLZOCXBDSA-N 2 2 269.389 0.356 10 0 CCAELP C[NH+](C)[C@H](C(=O)NC[C@H]1C[N@H+](C)CCO1)c1ccccc1 ZINC000245202567 352316279 /nfs/dbraw/zinc/31/62/79/352316279.db2.gz TVBZACOVMHURMS-GJZGRUSLSA-N 2 2 291.395 0.736 10 0 CCAELP C[NH+](C)[C@H](C(=O)NC[C@H]1C[N@@H+](C)CCO1)c1ccccc1 ZINC000245202567 352316282 /nfs/dbraw/zinc/31/62/82/352316282.db2.gz TVBZACOVMHURMS-GJZGRUSLSA-N 2 2 291.395 0.736 10 0 CCAELP C[C@H](O)C[N@@H+]1CCN(CCn2cc[nH+]c2)C[C@H]1C ZINC000245624910 352331731 /nfs/dbraw/zinc/33/17/31/352331731.db2.gz ORFPGBUNHMRHPY-OLZOCXBDSA-N 2 2 252.362 0.270 10 0 CCAELP C[C@H](O)C[N@H+]1CCN(CCn2cc[nH+]c2)C[C@H]1C ZINC000245624910 352331735 /nfs/dbraw/zinc/33/17/35/352331735.db2.gz ORFPGBUNHMRHPY-OLZOCXBDSA-N 2 2 252.362 0.270 10 0 CCAELP CCOCC[N@@H+]1CCN([C@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC000245974018 352344124 /nfs/dbraw/zinc/34/41/24/352344124.db2.gz GAXVFLICOFCNTG-HZPDHXFCSA-N 2 2 299.459 0.750 10 0 CCAELP CCOCC[N@H+]1CCN([C@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC000245974018 352344128 /nfs/dbraw/zinc/34/41/28/352344128.db2.gz GAXVFLICOFCNTG-HZPDHXFCSA-N 2 2 299.459 0.750 10 0 CCAELP CN1C(=O)C[C@H]([N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1=O ZINC000246246690 352357231 /nfs/dbraw/zinc/35/72/31/352357231.db2.gz DVYUQXWHEORNQS-YUTCNCBUSA-N 2 2 291.395 0.692 10 0 CCAELP CN1C(=O)C[C@H]([N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1=O ZINC000246246690 352357232 /nfs/dbraw/zinc/35/72/32/352357232.db2.gz DVYUQXWHEORNQS-YUTCNCBUSA-N 2 2 291.395 0.692 10 0 CCAELP CN1C(=O)C[C@H]([NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1=O ZINC000246246690 352357233 /nfs/dbraw/zinc/35/72/33/352357233.db2.gz DVYUQXWHEORNQS-YUTCNCBUSA-N 2 2 291.395 0.692 10 0 CCAELP CN1C(=O)C[C@H]([NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1=O ZINC000246246690 352357235 /nfs/dbraw/zinc/35/72/35/352357235.db2.gz DVYUQXWHEORNQS-YUTCNCBUSA-N 2 2 291.395 0.692 10 0 CCAELP C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CC[NH2+]CC2)C1 ZINC000038043280 283042718 /nfs/dbraw/zinc/04/27/18/283042718.db2.gz QNLPZKKMNSTFCB-ZFWWWQNUSA-N 3 2 294.443 0.271 10 0 CCAELP C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CC[NH2+]CC2)C1 ZINC000038043280 283042720 /nfs/dbraw/zinc/04/27/20/283042720.db2.gz QNLPZKKMNSTFCB-ZFWWWQNUSA-N 3 2 294.443 0.271 10 0 CCAELP C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CC[NH2+]CC2)C1 ZINC000038043280 283042721 /nfs/dbraw/zinc/04/27/21/283042721.db2.gz QNLPZKKMNSTFCB-ZFWWWQNUSA-N 3 2 294.443 0.271 10 0 CCAELP C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CC[NH2+]CC2)C1 ZINC000038043280 283042723 /nfs/dbraw/zinc/04/27/23/283042723.db2.gz QNLPZKKMNSTFCB-ZFWWWQNUSA-N 3 2 294.443 0.271 10 0 CCAELP COc1cccc(N2CC[NH+](CCNC(N)=[NH2+])CC2)c1 ZINC000584604915 359179053 /nfs/dbraw/zinc/17/90/53/359179053.db2.gz DYPLWSNQSPSICP-UHFFFAOYSA-N 2 2 277.372 0.300 10 0 CCAELP C[N@@H+]1CC[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC000329525021 202371519 /nfs/dbraw/zinc/37/15/19/202371519.db2.gz SKSSWWIWBYBFGA-DGCLKSJQSA-N 2 2 262.357 0.895 10 0 CCAELP C[N@H+]1CC[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC000329525021 202371520 /nfs/dbraw/zinc/37/15/20/202371520.db2.gz SKSSWWIWBYBFGA-DGCLKSJQSA-N 2 2 262.357 0.895 10 0 CCAELP C[N@@H+]1CC[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC000329525021 202371523 /nfs/dbraw/zinc/37/15/23/202371523.db2.gz SKSSWWIWBYBFGA-DGCLKSJQSA-N 2 2 262.357 0.895 10 0 CCAELP C[N@H+]1CC[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC000329525021 202371526 /nfs/dbraw/zinc/37/15/26/202371526.db2.gz SKSSWWIWBYBFGA-DGCLKSJQSA-N 2 2 262.357 0.895 10 0 CCAELP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)C1 ZINC000177774065 189068397 /nfs/dbraw/zinc/06/83/97/189068397.db2.gz UQKCTLOXZLSNFA-CHWSQXEVSA-N 2 2 278.356 0.205 10 0 CCAELP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)C1 ZINC000177774065 189068398 /nfs/dbraw/zinc/06/83/98/189068398.db2.gz UQKCTLOXZLSNFA-CHWSQXEVSA-N 2 2 278.356 0.205 10 0 CCAELP CC(C)(C)OC(=O)NCC[N@@H+]1CCO[C@@H](CC[NH3+])C1 ZINC000616647641 365405925 /nfs/dbraw/zinc/40/59/25/365405925.db2.gz XEKSEBNHQCFERT-NSHDSACASA-N 2 2 273.377 0.561 10 0 CCAELP CC(C)(C)OC(=O)NCC[N@H+]1CCO[C@@H](CC[NH3+])C1 ZINC000616647641 365405931 /nfs/dbraw/zinc/40/59/31/365405931.db2.gz XEKSEBNHQCFERT-NSHDSACASA-N 2 2 273.377 0.561 10 0 CCAELP CO[C@@H]1C[N@H+](CCCc2nc(C)no2)[C@](C)(C[NH3+])C1 ZINC000630370102 370072245 /nfs/dbraw/zinc/07/22/45/370072245.db2.gz YPHASCVFDRHKIF-AAEUAGOBSA-N 2 2 268.361 0.749 10 0 CCAELP CO[C@@H]1C[N@@H+](CCCc2nc(C)no2)[C@](C)(C[NH3+])C1 ZINC000630370102 370072250 /nfs/dbraw/zinc/07/22/50/370072250.db2.gz YPHASCVFDRHKIF-AAEUAGOBSA-N 2 2 268.361 0.749 10 0 CCAELP Cn1ncc2c1nc[nH+]c2N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000630538069 370156991 /nfs/dbraw/zinc/15/69/91/370156991.db2.gz HMDOLHVEYRGCSR-OKILXGFUSA-N 2 2 272.356 0.799 10 0 CCAELP OCCN1CCC[C@@H]([NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657351010 412972288 /nfs/dbraw/zinc/97/22/88/412972288.db2.gz GZDCFBRBQWWLOD-GFCCVEGCSA-N 2 2 264.373 0.376 10 0 CCAELP C[C@H](O)C[N@@H+]1CCN(c2cc[nH+]cc2C(N)=O)C[C@@H]1C ZINC000302029887 389062016 /nfs/dbraw/zinc/06/20/16/389062016.db2.gz MQWVGVHKYGKPKP-QWRGUYRKSA-N 2 2 278.356 0.072 10 0 CCAELP C[C@H](O)C[N@H+]1CCN(c2cc[nH+]cc2C(N)=O)C[C@@H]1C ZINC000302029887 389062017 /nfs/dbraw/zinc/06/20/17/389062017.db2.gz MQWVGVHKYGKPKP-QWRGUYRKSA-N 2 2 278.356 0.072 10 0 CCAELP C[C@@H]1CC[N@H+](CC(=O)N2CCOCC2)C[C@H]1n1cc[nH+]c1 ZINC000247677960 389241756 /nfs/dbraw/zinc/24/17/56/389241756.db2.gz RMKTZDJTQWIABF-ZIAGYGMSSA-N 2 2 292.383 0.625 10 0 CCAELP C[C@@H]1CC[N@@H+](CC(=O)N2CCOCC2)C[C@H]1n1cc[nH+]c1 ZINC000247677960 389241759 /nfs/dbraw/zinc/24/17/59/389241759.db2.gz RMKTZDJTQWIABF-ZIAGYGMSSA-N 2 2 292.383 0.625 10 0 CCAELP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000159151680 389360436 /nfs/dbraw/zinc/36/04/36/389360436.db2.gz MNHZFLSQNBMJPS-KGLIPLIRSA-N 2 2 298.431 0.299 10 0 CCAELP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000159151680 389360438 /nfs/dbraw/zinc/36/04/38/389360438.db2.gz MNHZFLSQNBMJPS-KGLIPLIRSA-N 2 2 298.431 0.299 10 0 CCAELP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000159151680 389360441 /nfs/dbraw/zinc/36/04/41/389360441.db2.gz MNHZFLSQNBMJPS-KGLIPLIRSA-N 2 2 298.431 0.299 10 0 CCAELP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000159151680 389360444 /nfs/dbraw/zinc/36/04/44/389360444.db2.gz MNHZFLSQNBMJPS-KGLIPLIRSA-N 2 2 298.431 0.299 10 0 CCAELP Nc1nc(-n2cccn2)cc(N2CC[N@@H+]3CCC[C@@H]3C2)[nH+]1 ZINC000179911261 389664473 /nfs/dbraw/zinc/66/44/73/389664473.db2.gz MBRDCZTYXUTUNO-LLVKDONJSA-N 2 2 285.355 0.529 10 0 CCAELP Nc1nc(-n2cccn2)cc(N2CC[N@H+]3CCC[C@@H]3C2)[nH+]1 ZINC000179911261 389664476 /nfs/dbraw/zinc/66/44/76/389664476.db2.gz MBRDCZTYXUTUNO-LLVKDONJSA-N 2 2 285.355 0.529 10 0 CCAELP C[N@@H+]1CCO[C@@H]2CN(c3nc[nH+]c(N)c3Cl)C[C@@H]21 ZINC000377989358 389755190 /nfs/dbraw/zinc/75/51/90/389755190.db2.gz PRJMSNQIBAGTHY-JGVFFNPUSA-N 2 2 269.736 0.231 10 0 CCAELP C[N@H+]1CCO[C@@H]2CN(c3nc[nH+]c(N)c3Cl)C[C@@H]21 ZINC000377989358 389755191 /nfs/dbraw/zinc/75/51/91/389755191.db2.gz PRJMSNQIBAGTHY-JGVFFNPUSA-N 2 2 269.736 0.231 10 0 CCAELP c1nc(N2CCOCC2)cc(NC[C@@H]2CCC[NH2+]C2)[nH+]1 ZINC000420148572 389958852 /nfs/dbraw/zinc/95/88/52/389958852.db2.gz AADWCMPLZYVYSG-GFCCVEGCSA-N 2 2 277.372 0.725 10 0 CCAELP c1nc(NC[C@@H]2CCC[NH2+]C2)cc(N2CCOCC2)[nH+]1 ZINC000420148572 389958854 /nfs/dbraw/zinc/95/88/54/389958854.db2.gz AADWCMPLZYVYSG-GFCCVEGCSA-N 2 2 277.372 0.725 10 0 CCAELP CO[C@@H]1C[C@@H](c2[nH]cc[nH+]2)N(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000644119212 390138286 /nfs/dbraw/zinc/13/82/86/390138286.db2.gz LJJCZLBFBRKUGO-WOPDTQHZSA-N 2 2 278.356 0.792 10 0 CCAELP CO[C@@H]1C[C@@H](c2[nH]cc[nH+]2)N(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000644119212 390138291 /nfs/dbraw/zinc/13/82/91/390138291.db2.gz LJJCZLBFBRKUGO-WOPDTQHZSA-N 2 2 278.356 0.792 10 0 CCAELP COCCC1(C(=O)NCc2[nH]c[nH+]c2C)CC[NH2+]CC1 ZINC000649347852 390600786 /nfs/dbraw/zinc/60/07/86/390600786.db2.gz ICSITKCLSNOOCJ-UHFFFAOYSA-N 2 2 280.372 0.741 10 0 CCAELP Nc1cc(C[NH2+][C@@H]2CCC[C@@H]2[N@@H+]2CC[C@@H](O)C2)ccn1 ZINC000643960415 390609156 /nfs/dbraw/zinc/60/91/56/390609156.db2.gz VNAMUINFJVGOBT-MCIONIFRSA-N 2 2 276.384 0.571 10 0 CCAELP Nc1cc(C[NH2+][C@@H]2CCC[C@@H]2[N@H+]2CC[C@@H](O)C2)ccn1 ZINC000643960415 390609158 /nfs/dbraw/zinc/60/91/58/390609158.db2.gz VNAMUINFJVGOBT-MCIONIFRSA-N 2 2 276.384 0.571 10 0 CCAELP O=C(NCC[NH+]1CCCCCC1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000368495270 144228422 /nfs/dbraw/zinc/22/84/22/144228422.db2.gz SXKFLBZWEMGQMD-NSHDSACASA-N 2 2 275.343 0.976 10 0 CCAELP CCc1nnc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)n1C ZINC000652352693 412036170 /nfs/dbraw/zinc/03/61/70/412036170.db2.gz NWRCAAPJIMGIDA-FZMZJTMJSA-N 2 2 263.389 0.938 10 0 CCAELP CCc1nnc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)n1C ZINC000652352693 412036172 /nfs/dbraw/zinc/03/61/72/412036172.db2.gz NWRCAAPJIMGIDA-FZMZJTMJSA-N 2 2 263.389 0.938 10 0 CCAELP [NH3+]C1CC[NH+](CC(=O)NCCc2ccccc2)CC1 ZINC000020135810 171023322 /nfs/dbraw/zinc/02/33/22/171023322.db2.gz BFZFJXLODBVDRN-UHFFFAOYSA-N 2 2 261.369 0.768 10 0 CCAELP O=C(CC[NH2+][C@H]1C[NH+]2CCC1CC2)N1CCCC1 ZINC000020441418 171204686 /nfs/dbraw/zinc/20/46/86/171204686.db2.gz MDPDDFRNWDMWIJ-ZDUSSCGKSA-N 2 2 251.374 0.683 10 0 CCAELP COC1CCN([C@]2(C[NH3+])C[NH+]3CCC2CC3)CC1 ZINC000037265934 173074744 /nfs/dbraw/zinc/07/47/44/173074744.db2.gz FFCGDWNHTBVCNO-CQSZACIVSA-N 2 2 253.390 0.520 10 0 CCAELP CC[NH2+]C1CC[NH+]([C@H](C)C(=O)NCCCOC)CC1 ZINC000037537001 173256089 /nfs/dbraw/zinc/25/60/89/173256089.db2.gz IAUVGZJNAPQASD-GFCCVEGCSA-N 2 2 271.405 0.602 10 0 CCAELP C[C@@]1(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)CCC[NH2+]1 ZINC000079521470 544474151 /nfs/dbraw/zinc/47/41/51/544474151.db2.gz HEQRNWATEBLJEW-OCCSQVGLSA-N 2 2 267.373 0.062 10 0 CCAELP CCOCC[N@@H+]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C ZINC000152468115 544657699 /nfs/dbraw/zinc/65/76/99/544657699.db2.gz YMVVQJXRULITOZ-ZIAGYGMSSA-N 2 2 285.432 0.896 10 0 CCAELP CCOCC[N@H+]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C ZINC000152468115 544657704 /nfs/dbraw/zinc/65/77/04/544657704.db2.gz YMVVQJXRULITOZ-ZIAGYGMSSA-N 2 2 285.432 0.896 10 0 CCAELP CC(C)[C@@H]([NH3+])CC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000136460597 544639323 /nfs/dbraw/zinc/63/93/23/544639323.db2.gz AWCQUGDNKCDNDF-OLZOCXBDSA-N 2 2 269.389 0.293 10 0 CCAELP C[C@H](CNC(=O)N(C)CCC[NH+](C)C)[NH+]1CCOCC1 ZINC000185365713 544775334 /nfs/dbraw/zinc/77/53/34/544775334.db2.gz LOFMLKITEROXSB-CYBMUJFWSA-N 2 2 286.420 0.300 10 0 CCAELP CC1(C)C[N@H+](CCNC(=O)NC[C@@H]2CC[NH2+]C2)CCO1 ZINC000333847131 278332700 /nfs/dbraw/zinc/33/27/00/278332700.db2.gz WMAOEIPESCZHEJ-GFCCVEGCSA-N 2 2 284.404 0.006 10 0 CCAELP CC1(C)C[N@@H+](CCNC(=O)NC[C@@H]2CC[NH2+]C2)CCO1 ZINC000333847131 278332701 /nfs/dbraw/zinc/33/27/01/278332701.db2.gz WMAOEIPESCZHEJ-GFCCVEGCSA-N 2 2 284.404 0.006 10 0 CCAELP CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@H]2C[N@H+](C)CCO2)C1 ZINC000176437739 279167480 /nfs/dbraw/zinc/16/74/80/279167480.db2.gz YROAJBCDWJHVQB-KBPBESRZSA-N 2 2 298.431 0.443 10 0 CCAELP CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@H]2C[N@@H+](C)CCO2)C1 ZINC000176437739 279167481 /nfs/dbraw/zinc/16/74/81/279167481.db2.gz YROAJBCDWJHVQB-KBPBESRZSA-N 2 2 298.431 0.443 10 0 CCAELP Cc1ccc(N2CCC[C@@H]([NH2+][C@H]3CC[NH2+]C3)C2)nn1 ZINC000333249900 280871260 /nfs/dbraw/zinc/87/12/60/280871260.db2.gz GNELXOKFOGVHPX-QWHCGFSZSA-N 2 2 261.373 0.705 10 0 CCAELP CC[NH2+][C@@H](CC[N@H+](C)CCc1ccccn1)C(N)=O ZINC000062438897 520084563 /nfs/dbraw/zinc/08/45/63/520084563.db2.gz YKEUMIFYWNQGEN-ZDUSSCGKSA-N 2 2 264.373 0.409 10 0 CCAELP CC[NH2+][C@@H](CC[N@@H+](C)CCc1ccccn1)C(N)=O ZINC000062438897 520084568 /nfs/dbraw/zinc/08/45/68/520084568.db2.gz YKEUMIFYWNQGEN-ZDUSSCGKSA-N 2 2 264.373 0.409 10 0 CCAELP CC(C)(C)NC(=O)NC(=O)C[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261627227 534707828 /nfs/dbraw/zinc/70/78/28/534707828.db2.gz AWVUFCZGHGUBDP-SNVBAGLBSA-N 2 2 284.404 0.670 10 0 CCAELP CC(C)(C)NC(=O)NC(=O)C[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261627227 534707839 /nfs/dbraw/zinc/70/78/39/534707839.db2.gz AWVUFCZGHGUBDP-SNVBAGLBSA-N 2 2 284.404 0.670 10 0 CCAELP COCC[N@H+](C)CCNc1cc[nH+]c(C(N)=S)c1 ZINC000061813356 523616272 /nfs/dbraw/zinc/61/62/72/523616272.db2.gz WASJNQAWIIVXON-UHFFFAOYSA-N 2 2 268.386 0.706 10 0 CCAELP COCC[N@@H+](C)CCNc1cc[nH+]c(C(N)=S)c1 ZINC000061813356 523616282 /nfs/dbraw/zinc/61/62/82/523616282.db2.gz WASJNQAWIIVXON-UHFFFAOYSA-N 2 2 268.386 0.706 10 0 CCAELP C[C@@H](C[NH+]1CCCCC1)[NH2+]CCN1CCOCC1 ZINC000049501920 524604531 /nfs/dbraw/zinc/60/45/31/524604531.db2.gz FCQVPBUIHOBCOM-AWEZNQCLSA-N 2 2 255.406 0.783 10 0 CCAELP C[C@H](Cn1cc[nH+]c1)NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054291590 524784014 /nfs/dbraw/zinc/78/40/14/524784014.db2.gz WDOYTJNHNABSMP-VXGBXAGGSA-N 2 2 250.346 0.778 10 0 CCAELP [NH3+][C@@H]1CC[C@@H](C(=O)N2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000091545460 349467145 /nfs/dbraw/zinc/46/71/45/349467145.db2.gz XYFIXMSUHHGJHR-HUUCEWRRSA-N 2 2 288.395 0.853 10 0 CCAELP C[N@@H+]1CC[C@@]2(C1)C[NH2+]CCN2C(=O)OC(C)(C)C ZINC000096957890 185141500 /nfs/dbraw/zinc/14/15/00/185141500.db2.gz UYUYAQUFIXBBGV-ZDUSSCGKSA-N 2 2 255.362 0.901 10 0 CCAELP C[N@H+]1CC[C@@]2(C1)C[NH2+]CCN2C(=O)OC(C)(C)C ZINC000096957890 185141502 /nfs/dbraw/zinc/14/15/02/185141502.db2.gz UYUYAQUFIXBBGV-ZDUSSCGKSA-N 2 2 255.362 0.901 10 0 CCAELP C[N@H+](CCNC(=O)NC[C@H]1C[NH+](C)CCO1)C1CCCC1 ZINC000104797900 349718524 /nfs/dbraw/zinc/71/85/24/349718524.db2.gz KDCCLFZGWOWZCA-AWEZNQCLSA-N 2 2 298.431 0.491 10 0 CCAELP C[N@@H+](CCNC(=O)NC[C@H]1C[NH+](C)CCO1)C1CCCC1 ZINC000104797900 349718528 /nfs/dbraw/zinc/71/85/28/349718528.db2.gz KDCCLFZGWOWZCA-AWEZNQCLSA-N 2 2 298.431 0.491 10 0 CCAELP C[NH+](CCNC(=O)NC[C@H]1C[N@H+](C)CCO1)C1CCCC1 ZINC000104797900 349718532 /nfs/dbraw/zinc/71/85/32/349718532.db2.gz KDCCLFZGWOWZCA-AWEZNQCLSA-N 2 2 298.431 0.491 10 0 CCAELP C[NH+](CCNC(=O)NC[C@H]1C[N@@H+](C)CCO1)C1CCCC1 ZINC000104797900 349718536 /nfs/dbraw/zinc/71/85/36/349718536.db2.gz KDCCLFZGWOWZCA-AWEZNQCLSA-N 2 2 298.431 0.491 10 0 CCAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](CCCO)CC2)C1 ZINC000105915184 349727748 /nfs/dbraw/zinc/72/77/48/349727748.db2.gz LNXMWNCIHHCSHZ-OAHLLOKOSA-N 2 2 285.432 0.096 10 0 CCAELP CC[C@H]1CN(CC[N@@H+]2CCO[C@@H](C)C2)CC[NH+]1CCOC ZINC000253309316 137004857 /nfs/dbraw/zinc/00/48/57/137004857.db2.gz DMSQWVACSPGUCC-HOTGVXAUSA-N 2 2 299.459 0.750 10 0 CCAELP CC[C@H]1CN(CC[N@H+]2CCO[C@@H](C)C2)CC[NH+]1CCOC ZINC000253309316 137004858 /nfs/dbraw/zinc/00/48/58/137004858.db2.gz DMSQWVACSPGUCC-HOTGVXAUSA-N 2 2 299.459 0.750 10 0 CCAELP CC[C@H]1CN(CC[NH+]2CCO[C@@H](C)C2)CC[N@@H+]1CCOC ZINC000253309316 137004859 /nfs/dbraw/zinc/00/48/59/137004859.db2.gz DMSQWVACSPGUCC-HOTGVXAUSA-N 2 2 299.459 0.750 10 0 CCAELP CC[C@H]1CN(CC[NH+]2CCO[C@@H](C)C2)CC[N@H+]1CCOC ZINC000253309316 137004860 /nfs/dbraw/zinc/00/48/60/137004860.db2.gz DMSQWVACSPGUCC-HOTGVXAUSA-N 2 2 299.459 0.750 10 0 CCAELP CC1(C)CN(C(=O)CCn2cc[nH+]c2)CC[C@@H]1[NH3+] ZINC000261588292 137010906 /nfs/dbraw/zinc/01/09/06/137010906.db2.gz VOAZJKHRWQIBSE-NSHDSACASA-N 2 2 250.346 0.859 10 0 CCAELP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cccc2c1OCCCO2 ZINC000262199443 137030716 /nfs/dbraw/zinc/03/07/16/137030716.db2.gz ZYAOEOQSSUVKHA-QWHCGFSZSA-N 2 2 278.352 0.518 10 0 CCAELP O=C(NCc1ccccc1Cn1cc[nH+]c1)C1C[NH2+]C1 ZINC000262222372 137031608 /nfs/dbraw/zinc/03/16/08/137031608.db2.gz KPPCQNHYLYVOCZ-UHFFFAOYSA-N 2 2 270.336 0.767 10 0 CCAELP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cnc(C(F)(F)F)s1 ZINC000263281644 137062402 /nfs/dbraw/zinc/06/24/02/137062402.db2.gz UIRRPKUDHGHUPK-HTRCEHHLSA-N 2 2 281.303 0.832 10 0 CCAELP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000263201393 137060014 /nfs/dbraw/zinc/06/00/14/137060014.db2.gz JBORQYWVGAXWFV-JOYOIKCWSA-N 2 2 280.759 0.658 10 0 CCAELP C[N@@H+]1CCN(c2cnc3ccccc3n2)[C@H](C[NH3+])C1 ZINC000122800255 350070238 /nfs/dbraw/zinc/07/02/38/350070238.db2.gz FQZRGKAWNQAHHZ-LLVKDONJSA-N 2 2 257.341 0.709 10 0 CCAELP C[N@H+]1CCN(c2cnc3ccccc3n2)[C@H](C[NH3+])C1 ZINC000122800255 350070244 /nfs/dbraw/zinc/07/02/44/350070244.db2.gz FQZRGKAWNQAHHZ-LLVKDONJSA-N 2 2 257.341 0.709 10 0 CCAELP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000129615153 350218738 /nfs/dbraw/zinc/21/87/38/350218738.db2.gz LNPVLZMZGMPQAD-LBPRGKRZSA-N 2 2 279.388 0.072 10 0 CCAELP CC[N@H+](CC(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1)C1CC1 ZINC000153116940 350553580 /nfs/dbraw/zinc/55/35/80/350553580.db2.gz IWOIEELBWLEPBK-DZGCQCFKSA-N 2 2 295.427 0.650 10 0 CCAELP CC[N@@H+](CC(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1)C1CC1 ZINC000153116940 350553582 /nfs/dbraw/zinc/55/35/82/350553582.db2.gz IWOIEELBWLEPBK-DZGCQCFKSA-N 2 2 295.427 0.650 10 0 CCAELP CC[C@H]1CN(C(=O)C[NH+](C)C)CC[N@@H+]1CCOC ZINC000172309470 350975114 /nfs/dbraw/zinc/97/51/14/350975114.db2.gz UWDBHMWYGIRFKR-LBPRGKRZSA-N 2 2 257.378 0.117 10 0 CCAELP CC[C@H]1CN(C(=O)C[NH+](C)C)CC[N@H+]1CCOC ZINC000172309470 350975117 /nfs/dbraw/zinc/97/51/17/350975117.db2.gz UWDBHMWYGIRFKR-LBPRGKRZSA-N 2 2 257.378 0.117 10 0 CCAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)CC1 ZINC000193629134 351836921 /nfs/dbraw/zinc/83/69/21/351836921.db2.gz ZRMRHQYWJWHKNH-SOUVJXGZSA-N 3 2 294.443 0.032 10 0 CCAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)CC1 ZINC000193629134 351836924 /nfs/dbraw/zinc/83/69/24/351836924.db2.gz ZRMRHQYWJWHKNH-SOUVJXGZSA-N 3 2 294.443 0.032 10 0 CCAELP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)CC1 ZINC000193629134 351836926 /nfs/dbraw/zinc/83/69/26/351836926.db2.gz ZRMRHQYWJWHKNH-SOUVJXGZSA-N 3 2 294.443 0.032 10 0 CCAELP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)CC1 ZINC000193629134 351836928 /nfs/dbraw/zinc/83/69/28/351836928.db2.gz ZRMRHQYWJWHKNH-SOUVJXGZSA-N 3 2 294.443 0.032 10 0 CCAELP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000195430937 351912886 /nfs/dbraw/zinc/91/28/86/351912886.db2.gz NCYHOMOTWGEGHO-UHFFFAOYSA-N 2 2 293.415 0.243 10 0 CCAELP C[C@H]1C[N@H+](CCCN2C(=O)c3ccccc3C2=O)C[C@@H]1[NH3+] ZINC000235703864 352186953 /nfs/dbraw/zinc/18/69/53/352186953.db2.gz VUOAHSRAFPZRFP-FZMZJTMJSA-N 2 2 287.363 0.952 10 0 CCAELP C[C@H]1C[N@@H+](CCCN2C(=O)c3ccccc3C2=O)C[C@@H]1[NH3+] ZINC000235703864 352186955 /nfs/dbraw/zinc/18/69/55/352186955.db2.gz VUOAHSRAFPZRFP-FZMZJTMJSA-N 2 2 287.363 0.952 10 0 CCAELP C[NH+](C)[C@@H]1CCCN(C(=O)NC[C@@H]2C[N@H+](C)CCO2)C1 ZINC000246345051 352362532 /nfs/dbraw/zinc/36/25/32/352362532.db2.gz CIZNEFNOYRUANM-CHWSQXEVSA-N 2 2 284.404 0.053 10 0 CCAELP C[NH+](C)[C@@H]1CCCN(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000246345051 352362536 /nfs/dbraw/zinc/36/25/36/352362536.db2.gz CIZNEFNOYRUANM-CHWSQXEVSA-N 2 2 284.404 0.053 10 0 CCAELP O=C([C@@H]1COCC[NH2+]1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000262647347 352588552 /nfs/dbraw/zinc/58/85/52/352588552.db2.gz PCTUMPDVBQRHDG-AWEZNQCLSA-N 2 2 281.400 0.452 10 0 CCAELP O=C([C@@H]1COCC[NH2+]1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000262647347 352588555 /nfs/dbraw/zinc/58/85/55/352588555.db2.gz PCTUMPDVBQRHDG-AWEZNQCLSA-N 2 2 281.400 0.452 10 0 CCAELP Cc1nc(NC[C@H]2C[NH2+]CCCO2)c2c([nH+]1)CCCC2 ZINC000333676112 354774132 /nfs/dbraw/zinc/77/41/32/354774132.db2.gz OAIBAAFRRLBKTR-GFCCVEGCSA-N 2 2 276.384 0.876 10 0 CCAELP C[C@H](C[NH2+][C@@H]1CCCC[C@H]1O)C[NH+]1CCOCC1 ZINC000563432645 291229084 /nfs/dbraw/zinc/22/90/84/291229084.db2.gz JNPOGMUGHQWFHS-MGPQQGTHSA-N 2 2 256.390 0.848 10 0 CCAELP C[C@@H]1C[N@H+](CC(=O)Nc2nccs2)C[C@@H]1C[NH3+] ZINC000631839986 370706389 /nfs/dbraw/zinc/70/63/89/370706389.db2.gz NUSAYQHVBNKFEP-BDAKNGLRSA-N 2 2 254.359 0.608 10 0 CCAELP C[C@@H]1C[N@@H+](CC(=O)Nc2nccs2)C[C@@H]1C[NH3+] ZINC000631839986 370706393 /nfs/dbraw/zinc/70/63/93/370706393.db2.gz NUSAYQHVBNKFEP-BDAKNGLRSA-N 2 2 254.359 0.608 10 0 CCAELP CO[C@H]1C[N@H+](CCCc2c[nH+]cn2C)[C@](C)(C[NH3+])C1 ZINC000630369621 370070724 /nfs/dbraw/zinc/07/07/24/370070724.db2.gz WZPRJMDZYVEBRN-KGLIPLIRSA-N 3 2 266.389 0.791 10 0 CCAELP CO[C@H]1C[N@@H+](CCCc2c[nH+]cn2C)[C@](C)(C[NH3+])C1 ZINC000630369621 370070727 /nfs/dbraw/zinc/07/07/27/370070727.db2.gz WZPRJMDZYVEBRN-KGLIPLIRSA-N 3 2 266.389 0.791 10 0 CCAELP O[C@@H](CNCc1c[nH+]c2n1CCC2)C[NH+]1CCCCC1 ZINC000657326651 412960290 /nfs/dbraw/zinc/96/02/90/412960290.db2.gz QUKJOGLPIUNOEH-AWEZNQCLSA-N 2 2 278.400 0.766 10 0 CCAELP C[N@H+](C[C@@H](O)CN1CCn2cc[nH+]c2C1)C1CC1 ZINC000336792176 389019403 /nfs/dbraw/zinc/01/94/03/389019403.db2.gz QXSWFWZWCMDACW-GFCCVEGCSA-N 2 2 250.346 0.154 10 0 CCAELP C[N@@H+](C[C@@H](O)CN1CCn2cc[nH+]c2C1)C1CC1 ZINC000336792176 389019407 /nfs/dbraw/zinc/01/94/07/389019407.db2.gz QXSWFWZWCMDACW-GFCCVEGCSA-N 2 2 250.346 0.154 10 0 CCAELP CC[C@@]1(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)CCC[NH2+]1 ZINC000122117228 389151125 /nfs/dbraw/zinc/15/11/25/389151125.db2.gz CNZJDNRXTTXLDE-ZFWWWQNUSA-N 2 2 281.400 0.452 10 0 CCAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1nncn1C ZINC000178755541 389621092 /nfs/dbraw/zinc/62/10/92/389621092.db2.gz JKDMVBFUNAHLTG-GFCCVEGCSA-N 2 2 260.345 0.985 10 0 CCAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1nncn1C ZINC000178755541 389621098 /nfs/dbraw/zinc/62/10/98/389621098.db2.gz JKDMVBFUNAHLTG-GFCCVEGCSA-N 2 2 260.345 0.985 10 0 CCAELP CCn1nc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)c2ccccc21 ZINC000262148703 143942366 /nfs/dbraw/zinc/94/23/66/143942366.db2.gz QSQUWOFXMQLLBN-ABAIWWIYSA-N 2 2 274.368 0.726 10 0 CCAELP CC[C@@H]1C[C@H]([NH2+][C@H]2CCC[N@H+](CCO)C2)CCO1 ZINC000384427472 397495450 /nfs/dbraw/zinc/49/54/50/397495450.db2.gz DMUYLNGXYWGFLG-HZSPNIEDSA-N 2 2 256.390 0.990 10 0 CCAELP CC[C@@H]1C[C@H]([NH2+][C@H]2CCC[N@@H+](CCO)C2)CCO1 ZINC000384427472 397495455 /nfs/dbraw/zinc/49/54/55/397495455.db2.gz DMUYLNGXYWGFLG-HZSPNIEDSA-N 2 2 256.390 0.990 10 0 CCAELP O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020434059 171198993 /nfs/dbraw/zinc/19/89/93/171198993.db2.gz SIZUHYDEYSPLPR-CABCVRRESA-N 2 2 289.379 0.054 10 0 CCAELP COc1cccc(C[NH2+]CCC[NH+](C)C)c1OCC(N)=O ZINC000020872548 171277183 /nfs/dbraw/zinc/27/71/83/171277183.db2.gz JRXBXXRILGEENM-UHFFFAOYSA-N 2 2 295.383 0.601 10 0 CCAELP CC[C@@H](CC[NH3+])N1CC[NH+](CC(=O)N(C)CC)CC1 ZINC000037223162 173043683 /nfs/dbraw/zinc/04/36/83/173043683.db2.gz ROJZLIFNPKRPOW-ZDUSSCGKSA-N 2 2 270.421 0.210 10 0 CCAELP CC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CC[NH2+]CC2)CC1 ZINC000038042951 174046966 /nfs/dbraw/zinc/04/69/66/174046966.db2.gz QKRXOXYCCFCBEW-OAHLLOKOSA-N 3 2 294.443 0.367 10 0 CCAELP CC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CC[NH2+]CC2)CC1 ZINC000038042951 174046968 /nfs/dbraw/zinc/04/69/68/174046968.db2.gz QKRXOXYCCFCBEW-OAHLLOKOSA-N 3 2 294.443 0.367 10 0 CCAELP Cn1cc[nH+]c1CNC(=O)c1c[nH+]c(NN)c(Cl)c1 ZINC000071275582 176106859 /nfs/dbraw/zinc/10/68/59/176106859.db2.gz GCSNNUZHKYPWHV-UHFFFAOYSA-N 2 2 280.719 0.684 10 0 CCAELP O[C@@]1(C[NH+]2CCC(Oc3cc[nH+]cc3)CC2)CC[NH2+]C1 ZINC000077320086 177251529 /nfs/dbraw/zinc/25/15/29/177251529.db2.gz WKKDISQIAQZFQH-HNNXBMFYSA-N 3 2 277.368 0.649 10 0 CCAELP COC(=O)C1CC[NH+]([C@H]2COC[C@@H]2C[NH+](C)C)CC1 ZINC000725273970 545889789 /nfs/dbraw/zinc/88/97/89/545889789.db2.gz ZKTDQMQAKCBNIO-STQMWFEESA-N 2 2 270.373 0.448 10 0 CCAELP CC[N@@H+]1CCO[C@@H](CNc2nc[nH+]c(N)c2OC)C1 ZINC000166345574 544723932 /nfs/dbraw/zinc/72/39/32/544723932.db2.gz DODAVVQPAYKUOI-VIFPVBQESA-N 2 2 267.333 0.200 10 0 CCAELP CC[N@H+]1CCO[C@@H](CNc2nc[nH+]c(N)c2OC)C1 ZINC000166345574 544723936 /nfs/dbraw/zinc/72/39/36/544723936.db2.gz DODAVVQPAYKUOI-VIFPVBQESA-N 2 2 267.333 0.200 10 0 CCAELP C[NH+]1CCC(NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)CC1 ZINC000173389987 276887365 /nfs/dbraw/zinc/88/73/65/276887365.db2.gz MJBYYOJUANKVJA-AWEZNQCLSA-N 2 2 296.415 0.197 10 0 CCAELP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N1CCn2cc[nH+]c2C1 ZINC000333503128 278048371 /nfs/dbraw/zinc/04/83/71/278048371.db2.gz FPHRJFGJSVKYOL-QWRGUYRKSA-N 2 2 263.345 0.549 10 0 CCAELP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000333826159 279031760 /nfs/dbraw/zinc/03/17/60/279031760.db2.gz LQFBCCCVYWWCJO-XUXIUFHCSA-N 2 2 296.415 0.241 10 0 CCAELP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000333826159 279031763 /nfs/dbraw/zinc/03/17/63/279031763.db2.gz LQFBCCCVYWWCJO-XUXIUFHCSA-N 2 2 296.415 0.241 10 0 CCAELP O=C([C@H]1CC[NH2+]CC1(F)F)N1CC[NH+](C2CC2)CC1 ZINC000335990308 280138281 /nfs/dbraw/zinc/13/82/81/280138281.db2.gz CZVGOFIPBXHENE-LLVKDONJSA-N 2 2 273.327 0.538 10 0 CCAELP CC(C)[N@H+](C)C[C@@H](O)CN1CC[C@H]([NH+]2CCOCC2)C1 ZINC000383818631 545084968 /nfs/dbraw/zinc/08/49/68/545084968.db2.gz DJNBVSIYBGXTOL-LSDHHAIUSA-N 2 2 285.432 0.094 10 0 CCAELP CC(C)[N@@H+](C)C[C@@H](O)CN1CC[C@H]([NH+]2CCOCC2)C1 ZINC000383818631 545084969 /nfs/dbraw/zinc/08/49/69/545084969.db2.gz DJNBVSIYBGXTOL-LSDHHAIUSA-N 2 2 285.432 0.094 10 0 CCAELP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](N2CCOCC2)C1 ZINC000383818631 545084970 /nfs/dbraw/zinc/08/49/70/545084970.db2.gz DJNBVSIYBGXTOL-LSDHHAIUSA-N 2 2 285.432 0.094 10 0 CCAELP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](N2CCOCC2)C1 ZINC000383818631 545084971 /nfs/dbraw/zinc/08/49/71/545084971.db2.gz DJNBVSIYBGXTOL-LSDHHAIUSA-N 2 2 285.432 0.094 10 0 CCAELP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000383818631 545084972 /nfs/dbraw/zinc/08/49/72/545084972.db2.gz DJNBVSIYBGXTOL-LSDHHAIUSA-N 2 2 285.432 0.094 10 0 CCAELP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000383818631 545084973 /nfs/dbraw/zinc/08/49/73/545084973.db2.gz DJNBVSIYBGXTOL-LSDHHAIUSA-N 2 2 285.432 0.094 10 0 CCAELP CC(C)n1nnnc1C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000582487602 329097109 /nfs/dbraw/zinc/09/71/09/329097109.db2.gz IUIPAQSALDCYFB-SNVBAGLBSA-N 2 2 252.366 0.813 10 0 CCAELP O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000582603333 329114410 /nfs/dbraw/zinc/11/44/10/329114410.db2.gz VFUDASBTBMCCPL-MNOVXSKESA-N 2 2 273.327 0.680 10 0 CCAELP C[NH+](C)Cc1cccc(C(=O)NC[C@H]2C[N@H+](C)CCO2)c1 ZINC000156029823 521915494 /nfs/dbraw/zinc/91/54/94/521915494.db2.gz OWLKMYGHHXLRFA-HNNXBMFYSA-N 2 2 291.395 0.809 10 0 CCAELP C[NH+](C)Cc1cccc(C(=O)NC[C@H]2C[N@@H+](C)CCO2)c1 ZINC000156029823 521915502 /nfs/dbraw/zinc/91/55/02/521915502.db2.gz OWLKMYGHHXLRFA-HNNXBMFYSA-N 2 2 291.395 0.809 10 0 CCAELP O=C(C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1)NC1CC1 ZINC000156356783 526807027 /nfs/dbraw/zinc/80/70/27/526807027.db2.gz MTVSVWIHNQDFOY-ZDUSSCGKSA-N 2 2 261.325 0.813 10 0 CCAELP O=C(C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1)NC1CC1 ZINC000156356783 526807029 /nfs/dbraw/zinc/80/70/29/526807029.db2.gz MTVSVWIHNQDFOY-ZDUSSCGKSA-N 2 2 261.325 0.813 10 0 CCAELP COC[C@@H]([NH3+])C(=O)NCc1cccnc1-n1cc[nH+]c1C ZINC000262261839 536663256 /nfs/dbraw/zinc/66/32/56/536663256.db2.gz JMSPMHJOCBNJRX-GFCCVEGCSA-N 2 2 289.339 0.166 10 0 CCAELP Cc1nn(C)cc1C[NH2+]C1CC[NH+](CCO)CC1 ZINC000399241321 581208475 /nfs/dbraw/zinc/20/84/75/581208475.db2.gz IXISYTQUBVFDSG-UHFFFAOYSA-N 2 2 252.362 0.275 10 0 CCAELP COC(=O)[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000312107199 625371704 /nfs/dbraw/zinc/37/17/04/625371704.db2.gz KRQAFCYAGVHYSF-OLZOCXBDSA-N 2 2 270.373 0.328 10 0 CCAELP COC(=O)[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000312107199 625371705 /nfs/dbraw/zinc/37/17/05/625371705.db2.gz KRQAFCYAGVHYSF-OLZOCXBDSA-N 2 2 270.373 0.328 10 0 CCAELP [NH3+][C@@H](CC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)C1CC1 ZINC000124032537 646240836 /nfs/dbraw/zinc/24/08/36/646240836.db2.gz JSVHKJKIQBCFPW-OLZOCXBDSA-N 2 2 267.373 0.047 10 0 CCAELP CC[NH2+]Cc1nc([C@@H]2C[N@@H+]3CCC[C@H]3CO2)no1 ZINC000252561800 649828193 /nfs/dbraw/zinc/82/81/93/649828193.db2.gz WOYJOIAAWOJCLD-UWVGGRQHSA-N 2 2 252.318 0.715 10 0 CCAELP CC[NH2+]Cc1nc([C@@H]2C[N@H+]3CCC[C@H]3CO2)no1 ZINC000252561800 649828195 /nfs/dbraw/zinc/82/81/95/649828195.db2.gz WOYJOIAAWOJCLD-UWVGGRQHSA-N 2 2 252.318 0.715 10 0 CCAELP C[C@@H]1C[N@H+](CCC[NH+]2CCCC2)C[C@@H](C(N)=O)O1 ZINC000119432732 349936170 /nfs/dbraw/zinc/93/61/70/349936170.db2.gz JGFYPJQKVGXMBT-NEPJUHHUSA-N 2 2 255.362 0.047 10 0 CCAELP C[C@@H]1C[N@@H+](CCC[NH+]2CCCC2)C[C@@H](C(N)=O)O1 ZINC000119432732 349936171 /nfs/dbraw/zinc/93/61/71/349936171.db2.gz JGFYPJQKVGXMBT-NEPJUHHUSA-N 2 2 255.362 0.047 10 0 CCAELP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1nccn1-c1ccccc1 ZINC000263137338 137059342 /nfs/dbraw/zinc/05/93/42/137059342.db2.gz CCSSCTGBQCESNL-TZMCWYRMSA-N 2 2 272.352 0.542 10 0 CCAELP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1csc(C2CC2)n1 ZINC000263316691 137063982 /nfs/dbraw/zinc/06/39/82/137063982.db2.gz ZNCUZWRDYAHBIB-ONGXEEELSA-N 2 2 253.371 0.690 10 0 CCAELP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000263201392 137059896 /nfs/dbraw/zinc/05/98/96/137059896.db2.gz JBORQYWVGAXWFV-CABZTGNLSA-N 2 2 280.759 0.658 10 0 CCAELP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cnc(-c2ccccc2)[nH]1 ZINC000263208375 137060280 /nfs/dbraw/zinc/06/02/80/137060280.db2.gz KAFHGYCIZXYLJW-OCCSQVGLSA-N 2 2 272.352 0.747 10 0 CCAELP CC[N@@H+]1CCC[C@@H]1CN(C)c1nc[nH+]c(N)c1OC ZINC000134918189 350379107 /nfs/dbraw/zinc/37/91/07/350379107.db2.gz ZELBHVULOQRGJE-SNVBAGLBSA-N 2 2 265.361 0.988 10 0 CCAELP CC[N@H+]1CCC[C@@H]1CN(C)c1nc[nH+]c(N)c1OC ZINC000134918189 350379112 /nfs/dbraw/zinc/37/91/12/350379112.db2.gz ZELBHVULOQRGJE-SNVBAGLBSA-N 2 2 265.361 0.988 10 0 CCAELP COc1c(N)[nH+]cnc1N1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000134927240 350380490 /nfs/dbraw/zinc/38/04/90/350380490.db2.gz RKXMRFCOSSVMBA-BDAKNGLRSA-N 2 2 251.334 0.454 10 0 CCAELP COC[C@@H]([NH3+])C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1 ZINC000159140886 350670608 /nfs/dbraw/zinc/67/06/08/350670608.db2.gz BPRDWTOJYFFPJM-LLVKDONJSA-N 2 2 275.312 0.488 10 0 CCAELP CC(C)C[NH+]1CCN(C(=O)NC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000171705165 350929890 /nfs/dbraw/zinc/92/98/90/350929890.db2.gz VAQPPSVOHDXDQB-CQSZACIVSA-N 2 2 298.431 0.300 10 0 CCAELP CC(C)C[NH+]1CCN(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000171705165 350929893 /nfs/dbraw/zinc/92/98/93/350929893.db2.gz VAQPPSVOHDXDQB-CQSZACIVSA-N 2 2 298.431 0.300 10 0 CCAELP C[C@@H]1C[N@H+](CCCn2cc[nH+]c2)C[C@@H]1N1CCOCC1 ZINC000182833855 351369872 /nfs/dbraw/zinc/36/98/72/351369872.db2.gz ZBFJPVBZVVPUFT-CABCVRRESA-N 2 2 278.400 0.926 10 0 CCAELP C[C@@H]1C[N@@H+](CCCn2cc[nH+]c2)C[C@@H]1N1CCOCC1 ZINC000182833855 351369876 /nfs/dbraw/zinc/36/98/76/351369876.db2.gz ZBFJPVBZVVPUFT-CABCVRRESA-N 2 2 278.400 0.926 10 0 CCAELP CC(C)[NH2+]CC[NH+]1CCC(Cn2ccnn2)CC1 ZINC000191593764 351765034 /nfs/dbraw/zinc/76/50/34/351765034.db2.gz ITITYKKBGVYOML-UHFFFAOYSA-N 2 2 251.378 0.988 10 0 CCAELP C[C@H](C(=O)NC[C@H]1CCCO1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193648170 351838766 /nfs/dbraw/zinc/83/87/66/351838766.db2.gz XKSQOBCOAKSKHV-YIYPIFLZSA-N 2 2 281.400 0.164 10 0 CCAELP C[N@H+]1C[C@@H]2C[NH+](CC(=O)NC3CCCC3)C[C@@H]2C1 ZINC000193637815 351838741 /nfs/dbraw/zinc/83/87/41/351838741.db2.gz LAVXYXWLODXOIF-TXEJJXNPSA-N 2 2 251.374 0.539 10 0 CCAELP C[N@@H+]1C[C@@H]2C[NH+](CC(=O)NC3CCCC3)C[C@@H]2C1 ZINC000193637815 351838743 /nfs/dbraw/zinc/83/87/43/351838743.db2.gz LAVXYXWLODXOIF-TXEJJXNPSA-N 2 2 251.374 0.539 10 0 CCAELP C[NH+]1C[C@@H]2C[N@@H+](CC(=O)NC3CCCC3)C[C@@H]2C1 ZINC000193637815 351838744 /nfs/dbraw/zinc/83/87/44/351838744.db2.gz LAVXYXWLODXOIF-TXEJJXNPSA-N 2 2 251.374 0.539 10 0 CCAELP C[NH+]1C[C@@H]2C[N@H+](CC(=O)NC3CCCC3)C[C@@H]2C1 ZINC000193637815 351838746 /nfs/dbraw/zinc/83/87/46/351838746.db2.gz LAVXYXWLODXOIF-TXEJJXNPSA-N 2 2 251.374 0.539 10 0 CCAELP C[C@H](C(=O)NC[C@H]1CCCO1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193648170 351838762 /nfs/dbraw/zinc/83/87/62/351838762.db2.gz XKSQOBCOAKSKHV-YIYPIFLZSA-N 2 2 281.400 0.164 10 0 CCAELP C[C@H](C(=O)NC[C@H]1CCCO1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193648170 351838763 /nfs/dbraw/zinc/83/87/63/351838763.db2.gz XKSQOBCOAKSKHV-YIYPIFLZSA-N 2 2 281.400 0.164 10 0 CCAELP C[C@H](C(=O)NC[C@H]1CCCO1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193648170 351838764 /nfs/dbraw/zinc/83/87/64/351838764.db2.gz XKSQOBCOAKSKHV-YIYPIFLZSA-N 2 2 281.400 0.164 10 0 CCAELP c1cnn(C[C@@H]2C[N@H+](CCn3cc[nH+]c3)CCO2)c1 ZINC000122668698 187045019 /nfs/dbraw/zinc/04/50/19/187045019.db2.gz WKDQVWKDJNKIJH-ZDUSSCGKSA-N 2 2 261.329 0.481 10 0 CCAELP c1cnn(C[C@@H]2C[N@@H+](CCn3cc[nH+]c3)CCO2)c1 ZINC000122668698 187045020 /nfs/dbraw/zinc/04/50/20/187045020.db2.gz WKDQVWKDJNKIJH-ZDUSSCGKSA-N 2 2 261.329 0.481 10 0 CCAELP Nc1[nH+]cnc(N2CC[NH2+]CC2)c1Br ZINC000236389751 352194390 /nfs/dbraw/zinc/19/43/90/352194390.db2.gz CYVOXWZIMZAVMC-UHFFFAOYSA-N 2 2 258.123 0.231 10 0 CCAELP C[N@@H+]1CCN(c2nccc(C(C)(C)C)n2)[C@@H](C[NH3+])C1 ZINC000312065810 354205862 /nfs/dbraw/zinc/20/58/62/354205862.db2.gz FHAJDWFNBPHCII-NSHDSACASA-N 2 2 263.389 0.853 10 0 CCAELP C[N@H+]1CCN(c2nccc(C(C)(C)C)n2)[C@@H](C[NH3+])C1 ZINC000312065810 354205866 /nfs/dbraw/zinc/20/58/66/354205866.db2.gz FHAJDWFNBPHCII-NSHDSACASA-N 2 2 263.389 0.853 10 0 CCAELP CC1(C)C[C@H]([NH2+][C@@H]2CCC[N@H+](CCO)C2)CCO1 ZINC000384641029 357722083 /nfs/dbraw/zinc/72/20/83/357722083.db2.gz XIGQCWRXMYOSHN-CHWSQXEVSA-N 2 2 256.390 0.990 10 0 CCAELP CC1(C)C[C@H]([NH2+][C@@H]2CCC[N@@H+](CCO)C2)CCO1 ZINC000384641029 357722085 /nfs/dbraw/zinc/72/20/85/357722085.db2.gz XIGQCWRXMYOSHN-CHWSQXEVSA-N 2 2 256.390 0.990 10 0 CCAELP CO[C@H]1C[C@@H](C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)[N@H+](C)C1 ZINC000408035597 357878386 /nfs/dbraw/zinc/87/83/86/357878386.db2.gz MXKXJEIJQQSHNA-STQMWFEESA-N 2 2 292.383 0.835 10 0 CCAELP CO[C@H]1C[C@@H](C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)[N@@H+](C)C1 ZINC000408035597 357878391 /nfs/dbraw/zinc/87/83/91/357878391.db2.gz MXKXJEIJQQSHNA-STQMWFEESA-N 2 2 292.383 0.835 10 0 CCAELP O=C([C@@H]1CCC[N@@H+]1C1CC[NH2+]CC1)N1CCC[C@@H](O)C1 ZINC000038043116 296017720 /nfs/dbraw/zinc/01/77/20/296017720.db2.gz GMYBMVXTRMWCOL-KGLIPLIRSA-N 2 2 281.400 0.186 10 0 CCAELP O=C([C@@H]1CCC[N@H+]1C1CC[NH2+]CC1)N1CCC[C@@H](O)C1 ZINC000038043116 296017722 /nfs/dbraw/zinc/01/77/22/296017722.db2.gz GMYBMVXTRMWCOL-KGLIPLIRSA-N 2 2 281.400 0.186 10 0 CCAELP CC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@@H]2C[NH+](C)CCO2)C1 ZINC000177872408 284351309 /nfs/dbraw/zinc/35/13/09/284351309.db2.gz CZECSVFNDOSCCS-ZIAGYGMSSA-N 2 2 298.431 0.300 10 0 CCAELP CC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@@H]2C[NH+](C)CCO2)C1 ZINC000177872408 284351311 /nfs/dbraw/zinc/35/13/11/284351311.db2.gz CZECSVFNDOSCCS-ZIAGYGMSSA-N 2 2 298.431 0.300 10 0 CCAELP CC[NH+](C)C[C@H]1CCN(C(=O)NC[C@@H]2C[N@H+](C)CCO2)C1 ZINC000177872408 284351312 /nfs/dbraw/zinc/35/13/12/284351312.db2.gz CZECSVFNDOSCCS-ZIAGYGMSSA-N 2 2 298.431 0.300 10 0 CCAELP CC[NH+](C)C[C@H]1CCN(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000177872408 284351313 /nfs/dbraw/zinc/35/13/13/284351313.db2.gz CZECSVFNDOSCCS-ZIAGYGMSSA-N 2 2 298.431 0.300 10 0 CCAELP CC(C)CC[C@H]([NH3+])C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000638075076 374629999 /nfs/dbraw/zinc/62/99/99/374629999.db2.gz QGJWOKIUAZKNDL-KBPBESRZSA-N 2 2 283.416 0.683 10 0 CCAELP C[C@@H]1CN(C(=O)Cc2cn3ccccc3[nH+]2)C[C@H]1C[NH3+] ZINC000638892578 375430377 /nfs/dbraw/zinc/43/03/77/375430377.db2.gz JPOTYYLAIGGQMV-VXGBXAGGSA-N 2 2 272.352 0.930 10 0 CCAELP O=C1N[C@H]2CCC[C@@H]1C[N@H+](Cc1cc3n(n1)CC[NH2+]C3)C2 ZINC000072462493 296397163 /nfs/dbraw/zinc/39/71/63/296397163.db2.gz JXMMEPMVNTZSJY-NEPJUHHUSA-N 2 2 289.383 0.087 10 0 CCAELP O=C1N[C@H]2CCC[C@@H]1C[N@@H+](Cc1cc3n(n1)CC[NH2+]C3)C2 ZINC000072462493 296397165 /nfs/dbraw/zinc/39/71/65/296397165.db2.gz JXMMEPMVNTZSJY-NEPJUHHUSA-N 2 2 289.383 0.087 10 0 CCAELP CC[C@@H]1CN(CC[N@@H+]2CCO[C@H](C)C2)CC[NH+]1C[C@@H](C)O ZINC000191483668 389011959 /nfs/dbraw/zinc/01/19/59/389011959.db2.gz KPDBDXCBCIOZLF-BZUAXINKSA-N 2 2 299.459 0.484 10 0 CCAELP CC[C@@H]1CN(CC[N@H+]2CCO[C@H](C)C2)CC[NH+]1C[C@@H](C)O ZINC000191483668 389011961 /nfs/dbraw/zinc/01/19/61/389011961.db2.gz KPDBDXCBCIOZLF-BZUAXINKSA-N 2 2 299.459 0.484 10 0 CCAELP CC[C@@H]1CN(CC[NH+]2CCO[C@H](C)C2)CC[N@@H+]1C[C@@H](C)O ZINC000191483668 389011962 /nfs/dbraw/zinc/01/19/62/389011962.db2.gz KPDBDXCBCIOZLF-BZUAXINKSA-N 2 2 299.459 0.484 10 0 CCAELP CC[C@@H]1CN(CC[NH+]2CCO[C@H](C)C2)CC[N@H+]1C[C@@H](C)O ZINC000191483668 389011964 /nfs/dbraw/zinc/01/19/64/389011964.db2.gz KPDBDXCBCIOZLF-BZUAXINKSA-N 2 2 299.459 0.484 10 0 CCAELP C[C@H](CNC(=O)C1CC[NH+](C2CC2)CC1)[NH+]1CCOCC1 ZINC000194195202 389090892 /nfs/dbraw/zinc/09/08/92/389090892.db2.gz FMYIUASCSXXNDP-CYBMUJFWSA-N 2 2 295.427 0.698 10 0 CCAELP C[NH2+][C@H](C)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000311883892 389105997 /nfs/dbraw/zinc/10/59/97/389105997.db2.gz XBNSMZMDCNQULU-HIFRSBDPSA-N 2 2 291.395 0.612 10 0 CCAELP C[NH2+][C@H](C)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000311883892 389105999 /nfs/dbraw/zinc/10/59/99/389105999.db2.gz XBNSMZMDCNQULU-HIFRSBDPSA-N 2 2 291.395 0.612 10 0 CCAELP O=C1NC[C@H]2C[N@H+](CCC[NH+]3CCCC3)CCN12 ZINC000162196608 389415773 /nfs/dbraw/zinc/41/57/73/389415773.db2.gz BACANICJEXWVBY-LBPRGKRZSA-N 2 2 252.362 0.182 10 0 CCAELP O=C1NC[C@H]2C[N@@H+](CCC[NH+]3CCCC3)CCN12 ZINC000162196608 389415775 /nfs/dbraw/zinc/41/57/75/389415775.db2.gz BACANICJEXWVBY-LBPRGKRZSA-N 2 2 252.362 0.182 10 0 CCAELP O=C(NCCn1cc[nH+]c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171896348 389482763 /nfs/dbraw/zinc/48/27/63/389482763.db2.gz XHPGZPLWQVDDSL-GFCCVEGCSA-N 2 2 263.345 0.373 10 0 CCAELP O=C(NCCn1cc[nH+]c1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171896348 389482767 /nfs/dbraw/zinc/48/27/67/389482767.db2.gz XHPGZPLWQVDDSL-GFCCVEGCSA-N 2 2 263.345 0.373 10 0 CCAELP Cc1cc(N2CCC[C@H](N3CC[NH2+]CC3=O)C2)nc[nH+]1 ZINC000333874707 389447566 /nfs/dbraw/zinc/44/75/66/389447566.db2.gz CJSBYZIJCZZHBQ-LBPRGKRZSA-N 2 2 275.356 0.186 10 0 CCAELP CC1(C)CN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)CC[C@H]1[NH3+] ZINC000335971487 389618589 /nfs/dbraw/zinc/61/85/89/389618589.db2.gz YGBINOICWZDRMJ-RKDXNWHRSA-N 2 2 261.316 0.569 10 0 CCAELP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1CCCO ZINC000388888157 389770784 /nfs/dbraw/zinc/77/07/84/389770784.db2.gz SQKLFXVTKFPQNO-KGLIPLIRSA-N 2 2 274.405 0.162 10 0 CCAELP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1CCCO ZINC000388888157 389770785 /nfs/dbraw/zinc/77/07/85/389770785.db2.gz SQKLFXVTKFPQNO-KGLIPLIRSA-N 2 2 274.405 0.162 10 0 CCAELP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1CCCO ZINC000388888157 389770786 /nfs/dbraw/zinc/77/07/86/389770786.db2.gz SQKLFXVTKFPQNO-KGLIPLIRSA-N 2 2 274.405 0.162 10 0 CCAELP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1CCCO ZINC000388888157 389770787 /nfs/dbraw/zinc/77/07/87/389770787.db2.gz SQKLFXVTKFPQNO-KGLIPLIRSA-N 2 2 274.405 0.162 10 0 CCAELP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCC[C@@H]1[N@@H+]1CC[C@@H](O)C1 ZINC000643960685 390609205 /nfs/dbraw/zinc/60/92/05/390609205.db2.gz ADKPBMCIDDQKJP-KFWWJZLASA-N 3 2 278.400 0.769 10 0 CCAELP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCC[C@@H]1[N@H+]1CC[C@@H](O)C1 ZINC000643960685 390609207 /nfs/dbraw/zinc/60/92/07/390609207.db2.gz ADKPBMCIDDQKJP-KFWWJZLASA-N 3 2 278.400 0.769 10 0 CCAELP CCC[N@H+](CC(=O)NC(=O)OC)C1CC[NH2+]CC1 ZINC000037539155 173259753 /nfs/dbraw/zinc/25/97/53/173259753.db2.gz AHAPXTHCLSGYHR-UHFFFAOYSA-N 2 2 257.334 0.333 10 0 CCAELP CCC[N@@H+](CC(=O)NC(=O)OC)C1CC[NH2+]CC1 ZINC000037539155 173259754 /nfs/dbraw/zinc/25/97/54/173259754.db2.gz AHAPXTHCLSGYHR-UHFFFAOYSA-N 2 2 257.334 0.333 10 0 CCAELP NC(=O)C[N@H+](C[C@H]1CCCCO1)C1CC[NH2+]CC1 ZINC000037543118 173263838 /nfs/dbraw/zinc/26/38/38/173263838.db2.gz CDETVVOICHKLRL-GFCCVEGCSA-N 2 2 255.362 0.095 10 0 CCAELP NC(=O)C[N@@H+](C[C@H]1CCCCO1)C1CC[NH2+]CC1 ZINC000037543118 173263839 /nfs/dbraw/zinc/26/38/39/173263839.db2.gz CDETVVOICHKLRL-GFCCVEGCSA-N 2 2 255.362 0.095 10 0 CCAELP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1nc2ccccc2o1 ZINC000038031343 174025045 /nfs/dbraw/zinc/02/50/45/174025045.db2.gz KVFQSDAQQPBWQR-UHFFFAOYSA-N 2 2 288.351 0.691 10 0 CCAELP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1nc2ccccc2o1 ZINC000038031343 174025046 /nfs/dbraw/zinc/02/50/46/174025046.db2.gz KVFQSDAQQPBWQR-UHFFFAOYSA-N 2 2 288.351 0.691 10 0 CCAELP COC(=O)C1CC[NH+]([C@@H]2COC[C@H]2C[NH+](C)C)CC1 ZINC000725273967 545889442 /nfs/dbraw/zinc/88/94/42/545889442.db2.gz ZKTDQMQAKCBNIO-CHWSQXEVSA-N 2 2 270.373 0.448 10 0 CCAELP O=C(N1CCn2cc[nH+]c2C1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111247214 544561789 /nfs/dbraw/zinc/56/17/89/544561789.db2.gz NWAWYKRXSFMZIY-NSHDSACASA-N 2 2 288.273 0.767 10 0 CCAELP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000251567280 544927667 /nfs/dbraw/zinc/92/76/67/544927667.db2.gz KXOHROAZXTUQMW-WOPDTQHZSA-N 2 2 250.346 0.763 10 0 CCAELP C[C@@H]1CC[NH2+][C@H](C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000229254152 287632277 /nfs/dbraw/zinc/63/22/77/287632277.db2.gz UAHIFCYQPXUDQX-MCIONIFRSA-N 2 2 281.400 0.308 10 0 CCAELP CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000105125169 276111956 /nfs/dbraw/zinc/11/19/56/276111956.db2.gz GWGCUTZLRYGTRV-QWHCGFSZSA-N 2 2 286.420 0.347 10 0 CCAELP CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000105125169 276111958 /nfs/dbraw/zinc/11/19/58/276111958.db2.gz GWGCUTZLRYGTRV-QWHCGFSZSA-N 2 2 286.420 0.347 10 0 CCAELP C[N@@H+]1CCO[C@H]2CN(c3[nH+]cnc4[nH]ccc43)C[C@H]21 ZINC000329926706 277132395 /nfs/dbraw/zinc/13/23/95/277132395.db2.gz WKBDMFLPSBEZIG-MNOVXSKESA-N 2 2 259.313 0.477 10 0 CCAELP C[N@H+]1CCO[C@H]2CN(c3[nH+]cnc4[nH]ccc43)C[C@H]21 ZINC000329926706 277132396 /nfs/dbraw/zinc/13/23/96/277132396.db2.gz WKBDMFLPSBEZIG-MNOVXSKESA-N 2 2 259.313 0.477 10 0 CCAELP O=C([C@@H]1CSC[NH2+]1)N1CCC[N@@H+](C2CC2)CC1 ZINC000178747972 280108583 /nfs/dbraw/zinc/10/85/83/280108583.db2.gz MVOAJVRYQJHZPC-NSHDSACASA-N 2 2 255.387 0.346 10 0 CCAELP O=C([C@@H]1CSC[NH2+]1)N1CCC[N@H+](C2CC2)CC1 ZINC000178747972 280108586 /nfs/dbraw/zinc/10/85/86/280108586.db2.gz MVOAJVRYQJHZPC-NSHDSACASA-N 2 2 255.387 0.346 10 0 CCAELP CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[N@H+](CCO)C2)C1 ZINC000384554613 545085143 /nfs/dbraw/zinc/08/51/43/545085143.db2.gz IWBFWHRCJCQYEZ-BFHYXJOUSA-N 2 2 256.390 0.990 10 0 CCAELP CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[N@@H+](CCO)C2)C1 ZINC000384554613 545085144 /nfs/dbraw/zinc/08/51/44/545085144.db2.gz IWBFWHRCJCQYEZ-BFHYXJOUSA-N 2 2 256.390 0.990 10 0 CCAELP Cn1c[nH+]cc1CCCN1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000404018371 545091109 /nfs/dbraw/zinc/09/11/09/545091109.db2.gz SIKIVIVHFLTNIV-ZIAGYGMSSA-N 2 2 264.373 0.415 10 0 CCAELP CCC[NH2+]C[C@H]1CC[C@@H](C[NH+]2CCS(=O)CC2)O1 ZINC000052516452 519938991 /nfs/dbraw/zinc/93/89/91/519938991.db2.gz VKNXKLCSWYMSPO-OLZOCXBDSA-N 2 2 274.430 0.598 10 0 CCAELP CC(C)C[NH+]1CCN(CC[NH2+]CC[NH+](C)C)CC1 ZINC000055075788 519725994 /nfs/dbraw/zinc/72/59/94/519725994.db2.gz VSWVREROXIQQPJ-UHFFFAOYSA-N 3 2 256.438 0.411 10 0 CCAELP CC(C)[C@@H](C[NH+](C)C)[NH2+]C1CCN(C(N)=O)CC1 ZINC000049198924 519793525 /nfs/dbraw/zinc/79/35/25/519793525.db2.gz VQIJKYPXBGQWAZ-GFCCVEGCSA-N 2 2 256.394 0.705 10 0 CCAELP CCC[N@H+](CC(=O)NC1CCOCC1)C(C)(C)C[NH3+] ZINC000062768212 521548916 /nfs/dbraw/zinc/54/89/16/521548916.db2.gz MAZFBNUJEYVKHX-UHFFFAOYSA-N 2 2 271.405 0.731 10 0 CCAELP CCC[N@@H+](CC(=O)NC1CCOCC1)C(C)(C)C[NH3+] ZINC000062768212 521548919 /nfs/dbraw/zinc/54/89/19/521548919.db2.gz MAZFBNUJEYVKHX-UHFFFAOYSA-N 2 2 271.405 0.731 10 0 CCAELP CCCN1C(=O)C[C@H]([NH2+][C@H](C)CC[NH+](C)C)C1=O ZINC000049554923 521700291 /nfs/dbraw/zinc/70/02/91/521700291.db2.gz QGHKCSUDRZKSCG-MNOVXSKESA-N 2 2 255.362 0.454 10 0 CCAELP CC[C@H]([NH3+])Cc1[nH+]ccn1CCS(=O)(=O)CC ZINC000062803159 522338057 /nfs/dbraw/zinc/33/80/57/522338057.db2.gz LEHROUSSNFPHFS-JTQLQIEISA-N 2 2 259.375 0.598 10 0 CCAELP C[C@@H]1CC[C@@H]([NH3+])C[C@@H]1C(=O)NCC[NH+]1CCOCC1 ZINC000055123624 524601395 /nfs/dbraw/zinc/60/13/95/524601395.db2.gz NUIFJASNPXDIDK-UPJWGTAASA-N 2 2 269.389 0.198 10 0 CCAELP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)C(=O)N1CCCC1 ZINC000049235701 524794052 /nfs/dbraw/zinc/79/40/52/524794052.db2.gz LPHKCNBERSYTIO-VXGBXAGGSA-N 2 2 250.346 0.872 10 0 CCAELP C[C@@H]([NH3+])[C@H]([NH+]1CCN(CC[NH+](C)C)CC1)C(C)(C)C ZINC000061642417 525017192 /nfs/dbraw/zinc/01/71/92/525017192.db2.gz GRTSNEREEKBFJN-KGLIPLIRSA-N 3 2 270.465 0.928 10 0 CCAELP O=S(=O)(C[C@H]1CCC[NH2+]C1)Nc1cc[nH+]cc1 ZINC000049632204 527187628 /nfs/dbraw/zinc/18/76/28/527187628.db2.gz BEFJYOYZAQLEGU-JTQLQIEISA-N 2 2 255.343 0.823 10 0 CCAELP CCOc1cccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)n1 ZINC000263270703 535458617 /nfs/dbraw/zinc/45/86/17/535458617.db2.gz SDWUHCUVWKFZHM-ZYHUDNBSSA-N 2 2 251.330 0.150 10 0 CCAELP OCC[N@@H+]1CCC[C@H]([NH2+]Cc2ccc(CO)cc2)C1 ZINC000395007074 581169700 /nfs/dbraw/zinc/16/97/00/581169700.db2.gz RYMWFSJRSVWWGQ-HNNXBMFYSA-N 2 2 264.369 0.725 10 0 CCAELP OCC[N@H+]1CCC[C@H]([NH2+]Cc2ccc(CO)cc2)C1 ZINC000395007074 581169702 /nfs/dbraw/zinc/16/97/02/581169702.db2.gz RYMWFSJRSVWWGQ-HNNXBMFYSA-N 2 2 264.369 0.725 10 0 CCAELP Cc1cc(N2CC[C@@H]([NH+]3CCOCC3)C2)nc(N)[nH+]1 ZINC000089710397 637951199 /nfs/dbraw/zinc/95/11/99/637951199.db2.gz ZOYLNITYOIZHDW-LLVKDONJSA-N 2 2 263.345 0.278 10 0 CCAELP C[NH2+]Cc1c(NC(C)=O)[o+]nn1Cc1ccccc1 ZINC000083251487 178369729 /nfs/dbraw/zinc/36/97/29/178369729.db2.gz SKJMFXXENFUBDO-UHFFFAOYSA-O 2 2 261.305 0.688 10 0 CCAELP CC[N@H+](CCNC(=O)NC[C@H](C)[NH+]1CCOCC1)C1CC1 ZINC000101980953 349673698 /nfs/dbraw/zinc/67/36/98/349673698.db2.gz BGRJZAUIXVTLSB-ZDUSSCGKSA-N 2 2 298.431 0.491 10 0 CCAELP CC[N@@H+](CCNC(=O)NC[C@H](C)[NH+]1CCOCC1)C1CC1 ZINC000101980953 349673702 /nfs/dbraw/zinc/67/37/02/349673702.db2.gz BGRJZAUIXVTLSB-ZDUSSCGKSA-N 2 2 298.431 0.491 10 0 CCAELP COCC[N@@H+]1CCN(C(=O)NCCn2cc[nH+]c2)C[C@@H]1C ZINC000117467527 349886092 /nfs/dbraw/zinc/88/60/92/349886092.db2.gz DHNHDYLXCODWSP-ZDUSSCGKSA-N 2 2 295.387 0.245 10 0 CCAELP COCC[N@H+]1CCN(C(=O)NCCn2cc[nH+]c2)C[C@@H]1C ZINC000117467527 349886093 /nfs/dbraw/zinc/88/60/93/349886093.db2.gz DHNHDYLXCODWSP-ZDUSSCGKSA-N 2 2 295.387 0.245 10 0 CCAELP CC1(C)CN(C(=O)CCn2cc[nH+]c2)CC[C@H]1[NH3+] ZINC000261588291 137011016 /nfs/dbraw/zinc/01/10/16/137011016.db2.gz VOAZJKHRWQIBSE-LLVKDONJSA-N 2 2 250.346 0.859 10 0 CCAELP CCOC(=O)c1ccc(N2CC[N@H+](C)C[C@@H]2C[NH3+])nc1 ZINC000124485167 350099603 /nfs/dbraw/zinc/09/96/03/350099603.db2.gz GZDXNVJQCPYUID-LBPRGKRZSA-N 2 2 278.356 0.337 10 0 CCAELP CCOC(=O)c1ccc(N2CC[N@@H+](C)C[C@@H]2C[NH3+])nc1 ZINC000124485167 350099605 /nfs/dbraw/zinc/09/96/05/350099605.db2.gz GZDXNVJQCPYUID-LBPRGKRZSA-N 2 2 278.356 0.337 10 0 CCAELP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CC[NH+](C2CC2)CC1 ZINC000105130296 186044023 /nfs/dbraw/zinc/04/40/23/186044023.db2.gz RYTPNYSQYLMRJW-ZDUSSCGKSA-N 2 2 296.415 0.197 10 0 CCAELP CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H]2C[NH+](C)CCO2)C1 ZINC000105180068 186045116 /nfs/dbraw/zinc/04/51/16/186045116.db2.gz ZMPWOGFEQNMRAA-UONOGXRCSA-N 2 2 298.431 0.348 10 0 CCAELP CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@@H]2C[NH+](C)CCO2)C1 ZINC000105180068 186045117 /nfs/dbraw/zinc/04/51/17/186045117.db2.gz ZMPWOGFEQNMRAA-UONOGXRCSA-N 2 2 298.431 0.348 10 0 CCAELP CCC[NH+]1CC[C@@H](CNC(=O)NC[C@@H]2C[N@H+](C)CCO2)C1 ZINC000105180068 186045119 /nfs/dbraw/zinc/04/51/19/186045119.db2.gz ZMPWOGFEQNMRAA-UONOGXRCSA-N 2 2 298.431 0.348 10 0 CCAELP CCC[NH+]1CC[C@@H](CNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000105180068 186045120 /nfs/dbraw/zinc/04/51/20/186045120.db2.gz ZMPWOGFEQNMRAA-UONOGXRCSA-N 2 2 298.431 0.348 10 0 CCAELP OCCOCC[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000132709731 350314776 /nfs/dbraw/zinc/31/47/76/350314776.db2.gz PRPZDXLJZJMMPV-ZDUSSCGKSA-N 2 2 265.357 0.824 10 0 CCAELP OCCOCC[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000132709731 350314780 /nfs/dbraw/zinc/31/47/80/350314780.db2.gz PRPZDXLJZJMMPV-ZDUSSCGKSA-N 2 2 265.357 0.824 10 0 CCAELP CCNC(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000151099873 350492779 /nfs/dbraw/zinc/49/27/79/350492779.db2.gz CQZVPKAGIVTPAC-LBPRGKRZSA-N 2 2 262.357 0.952 10 0 CCAELP CCNC(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000151099873 350492781 /nfs/dbraw/zinc/49/27/81/350492781.db2.gz CQZVPKAGIVTPAC-LBPRGKRZSA-N 2 2 262.357 0.952 10 0 CCAELP CCC[C@H](C(=O)NC[C@@H](C)[NH+]1CCOCC1)[NH+](C)C ZINC000161512605 350723024 /nfs/dbraw/zinc/72/30/24/350723024.db2.gz MLAFGEQBVIFLBY-CHWSQXEVSA-N 2 2 271.405 0.554 10 0 CCAELP COC[C@H]([NH3+])C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000167845932 350815794 /nfs/dbraw/zinc/81/57/94/350815794.db2.gz ZIKQDDVLSJDICK-LBPRGKRZSA-N 2 2 283.397 0.366 10 0 CCAELP CC(C)[NH+]1CCC(NC(=O)NC[C@H]2C[N@H+](C)CCO2)CC1 ZINC000170920415 350874405 /nfs/dbraw/zinc/87/44/05/350874405.db2.gz SBALHGKWAAYTRE-AWEZNQCLSA-N 2 2 298.431 0.489 10 0 CCAELP CC(C)[NH+]1CCC(NC(=O)NC[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000170920415 350874408 /nfs/dbraw/zinc/87/44/08/350874408.db2.gz SBALHGKWAAYTRE-AWEZNQCLSA-N 2 2 298.431 0.489 10 0 CCAELP C[NH+](C)C[C@H]1CN(C(=O)NCCCn2cc[nH+]c2)CCO1 ZINC000172113458 350958530 /nfs/dbraw/zinc/95/85/30/350958530.db2.gz UUGDBXPYQHKPBK-ZDUSSCGKSA-N 2 2 295.387 0.245 10 0 CCAELP CCOCC[N@@H+]1CCN(C(=O)C[NH+](C)C)C[C@H]1CC ZINC000172081202 350957371 /nfs/dbraw/zinc/95/73/71/350957371.db2.gz GBSCCLRGCKRXBG-CYBMUJFWSA-N 2 2 271.405 0.507 10 0 CCAELP CCOCC[N@H+]1CCN(C(=O)C[NH+](C)C)C[C@H]1CC ZINC000172081202 350957375 /nfs/dbraw/zinc/95/73/75/350957375.db2.gz GBSCCLRGCKRXBG-CYBMUJFWSA-N 2 2 271.405 0.507 10 0 CCAELP CC[NH+](CC)CCNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173779861 351054856 /nfs/dbraw/zinc/05/48/56/351054856.db2.gz GYUYRDRDUCEWIG-CQSZACIVSA-N 2 2 298.431 0.444 10 0 CCAELP C[N@H+]1C[C@@H]2C[NH+](CC(=O)NCc3ccc(F)cc3)C[C@@H]2C1 ZINC000193658676 351839391 /nfs/dbraw/zinc/83/93/91/351839391.db2.gz QTAWACIAGHGESW-OKILXGFUSA-N 2 2 291.370 0.935 10 0 CCAELP C[N@@H+]1C[C@@H]2C[NH+](CC(=O)NCc3ccc(F)cc3)C[C@@H]2C1 ZINC000193658676 351839396 /nfs/dbraw/zinc/83/93/96/351839396.db2.gz QTAWACIAGHGESW-OKILXGFUSA-N 2 2 291.370 0.935 10 0 CCAELP C[NH+]1C[C@@H]2C[N@@H+](CC(=O)NCc3ccc(F)cc3)C[C@@H]2C1 ZINC000193658676 351839399 /nfs/dbraw/zinc/83/93/99/351839399.db2.gz QTAWACIAGHGESW-OKILXGFUSA-N 2 2 291.370 0.935 10 0 CCAELP C[NH+]1C[C@@H]2C[N@H+](CC(=O)NCc3ccc(F)cc3)C[C@@H]2C1 ZINC000193658676 351839403 /nfs/dbraw/zinc/83/94/03/351839403.db2.gz QTAWACIAGHGESW-OKILXGFUSA-N 2 2 291.370 0.935 10 0 CCAELP C[N@@H+]1CCN(c2ccc(C(F)(F)F)nn2)[C@@H](C[NH3+])C1 ZINC000227729303 352058473 /nfs/dbraw/zinc/05/84/73/352058473.db2.gz IMNBZWFUERBSSZ-QMMMGPOBSA-N 2 2 275.278 0.575 10 0 CCAELP C[N@H+]1CCN(c2ccc(C(F)(F)F)nn2)[C@@H](C[NH3+])C1 ZINC000227729303 352058476 /nfs/dbraw/zinc/05/84/76/352058476.db2.gz IMNBZWFUERBSSZ-QMMMGPOBSA-N 2 2 275.278 0.575 10 0 CCAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@H](C)c1nnnn1C ZINC000248944882 352468152 /nfs/dbraw/zinc/46/81/52/352468152.db2.gz DFOUWOMOHJABPD-ZYHUDNBSSA-N 2 2 275.360 0.941 10 0 CCAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@H](C)c1nnnn1C ZINC000248944882 352468153 /nfs/dbraw/zinc/46/81/53/352468153.db2.gz DFOUWOMOHJABPD-ZYHUDNBSSA-N 2 2 275.360 0.941 10 0 CCAELP C[C@@H](O)C[N@H+](Cc1ccc(-n2cc[nH+]c2)nc1)[C@H](C)CO ZINC000248950854 352468780 /nfs/dbraw/zinc/46/87/80/352468780.db2.gz PPLGOKFEAQWZEE-CHWSQXEVSA-N 2 2 290.367 0.831 10 0 CCAELP C[C@@H](O)C[N@@H+](Cc1ccc(-n2cc[nH+]c2)nc1)[C@H](C)CO ZINC000248950854 352468782 /nfs/dbraw/zinc/46/87/82/352468782.db2.gz PPLGOKFEAQWZEE-CHWSQXEVSA-N 2 2 290.367 0.831 10 0 CCAELP C[N@@H+]1CCO[C@@H](CNC(=O)CC[C@H]2CCC[NH2+]C2)C1 ZINC000252544273 352519525 /nfs/dbraw/zinc/51/95/25/352519525.db2.gz IBAYEKUYPPOTIL-OLZOCXBDSA-N 2 2 269.389 0.213 10 0 CCAELP C[N@H+]1CCO[C@@H](CNC(=O)CC[C@H]2CCC[NH2+]C2)C1 ZINC000252544273 352519529 /nfs/dbraw/zinc/51/95/29/352519529.db2.gz IBAYEKUYPPOTIL-OLZOCXBDSA-N 2 2 269.389 0.213 10 0 CCAELP Cc1cnn(C)c1C[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000352812635 356087410 /nfs/dbraw/zinc/08/74/10/356087410.db2.gz GRBCSRNVPGVMMA-ZDUSSCGKSA-N 2 2 266.389 0.665 10 0 CCAELP C[NH2+]CCC[N@H+](C)CCCS(=O)(=O)C(C)C ZINC000420388263 358181878 /nfs/dbraw/zinc/18/18/78/358181878.db2.gz LSAZIOITDFEWEF-UHFFFAOYSA-N 2 2 250.408 0.741 10 0 CCAELP C[NH2+]CCC[N@@H+](C)CCCS(=O)(=O)C(C)C ZINC000420388263 358181881 /nfs/dbraw/zinc/18/18/81/358181881.db2.gz LSAZIOITDFEWEF-UHFFFAOYSA-N 2 2 250.408 0.741 10 0 CCAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCN1C(=O)CNC1=O ZINC000178296128 189103828 /nfs/dbraw/zinc/10/38/28/189103828.db2.gz GGMOWQOBYDNPEO-GFCCVEGCSA-N 2 2 291.355 0.208 10 0 CCAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCN1C(=O)CNC1=O ZINC000178296128 189103829 /nfs/dbraw/zinc/10/38/29/189103829.db2.gz GGMOWQOBYDNPEO-GFCCVEGCSA-N 2 2 291.355 0.208 10 0 CCAELP CCOC(=O)C[C@H](O)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000599292262 361636377 /nfs/dbraw/zinc/63/63/77/361636377.db2.gz AAQYOYJIHPCOQL-NEPJUHHUSA-N 2 2 258.362 0.184 10 0 CCAELP CCOC(=O)C[C@H](O)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000599292262 361636385 /nfs/dbraw/zinc/63/63/85/361636385.db2.gz AAQYOYJIHPCOQL-NEPJUHHUSA-N 2 2 258.362 0.184 10 0 CCAELP [NH3+]CC[N@@H+]1CCOC[C@H](c2ccccc2CCO)C1 ZINC000616596159 365378012 /nfs/dbraw/zinc/37/80/12/365378012.db2.gz ZLIPJTDOJQXOSF-CQSZACIVSA-N 2 2 264.369 0.596 10 0 CCAELP [NH3+]CC[N@H+]1CCOC[C@H](c2ccccc2CCO)C1 ZINC000616596159 365378014 /nfs/dbraw/zinc/37/80/14/365378014.db2.gz ZLIPJTDOJQXOSF-CQSZACIVSA-N 2 2 264.369 0.596 10 0 CCAELP CC(C)(C)OC(=O)NCC[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000616680122 365422843 /nfs/dbraw/zinc/42/28/43/365422843.db2.gz NIHMSMBDJMYGDV-LLVKDONJSA-N 2 2 273.377 0.561 10 0 CCAELP CC(C)(C)OC(=O)NCC[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000616680122 365422850 /nfs/dbraw/zinc/42/28/50/365422850.db2.gz NIHMSMBDJMYGDV-LLVKDONJSA-N 2 2 273.377 0.561 10 0 CCAELP CO[C@@H]1C[N@H+](CCO[C@@H]2CC2(F)F)[C@](C)(C[NH3+])C1 ZINC000630362908 370064622 /nfs/dbraw/zinc/06/46/22/370064622.db2.gz ALDLYHBZZNFJAA-AXFHLTTASA-N 2 2 264.316 0.849 10 0 CCAELP CO[C@@H]1C[N@@H+](CCO[C@@H]2CC2(F)F)[C@](C)(C[NH3+])C1 ZINC000630362908 370064628 /nfs/dbraw/zinc/06/46/28/370064628.db2.gz ALDLYHBZZNFJAA-AXFHLTTASA-N 2 2 264.316 0.849 10 0 CCAELP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246785311 285032436 /nfs/dbraw/zinc/03/24/36/285032436.db2.gz MALKMEBLEVJFDA-OLZOCXBDSA-N 2 2 274.368 0.752 10 0 CCAELP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000246785311 285032438 /nfs/dbraw/zinc/03/24/38/285032438.db2.gz MALKMEBLEVJFDA-OLZOCXBDSA-N 2 2 274.368 0.752 10 0 CCAELP Cc1[nH+]cc(C[NH2+][C@@H]2CCCN(CCO)C2)n1C ZINC000657350468 412972065 /nfs/dbraw/zinc/97/20/65/412972065.db2.gz DPAPTWWIOWDJAD-GFCCVEGCSA-N 2 2 252.362 0.275 10 0 CCAELP C[C@H]1C[C@@H]([NH2+][C@H]2CCC(=O)N[C@H]2C)C[N@@H+]1C1CC1 ZINC000392929619 285206767 /nfs/dbraw/zinc/20/67/67/285206767.db2.gz JNEYXWPJVWQZKW-KQXIARHKSA-N 2 2 251.374 0.868 10 0 CCAELP C[C@H]1C[C@@H]([NH2+][C@H]2CCC(=O)N[C@H]2C)C[N@H+]1C1CC1 ZINC000392929619 285206770 /nfs/dbraw/zinc/20/67/70/285206770.db2.gz JNEYXWPJVWQZKW-KQXIARHKSA-N 2 2 251.374 0.868 10 0 CCAELP CC[NH+]1CCN(S(=O)(=O)c2ccc(CC[NH3+])cc2)CC1 ZINC000011849353 388775266 /nfs/dbraw/zinc/77/52/66/388775266.db2.gz LVLPGBQLCDGPTC-UHFFFAOYSA-N 2 2 297.424 0.514 10 0 CCAELP C[N@@H+]1CCN(c2ccc(Br)cn2)[C@H](C[NH3+])C1 ZINC000087613825 389010868 /nfs/dbraw/zinc/01/08/68/389010868.db2.gz GTYBLYIWBHNPHB-SNVBAGLBSA-N 2 2 285.189 0.923 10 0 CCAELP C[N@H+]1CCN(c2ccc(Br)cn2)[C@H](C[NH3+])C1 ZINC000087613825 389010871 /nfs/dbraw/zinc/01/08/71/389010871.db2.gz GTYBLYIWBHNPHB-SNVBAGLBSA-N 2 2 285.189 0.923 10 0 CCAELP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CN3C(=O)c4ccccc4C3=O)C[C@@H]12 ZINC000307618906 389091642 /nfs/dbraw/zinc/09/16/42/389091642.db2.gz VHTRFDFWKJGUBY-LERXQTSPSA-N 2 2 285.347 0.909 10 0 CCAELP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CN3C(=O)c4ccccc4C3=O)C[C@@H]12 ZINC000307618906 389091644 /nfs/dbraw/zinc/09/16/44/389091644.db2.gz VHTRFDFWKJGUBY-LERXQTSPSA-N 2 2 285.347 0.909 10 0 CCAELP COC[C@H](O)C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000127358679 389174045 /nfs/dbraw/zinc/17/40/45/389174045.db2.gz YRKPFTKBBFBRGZ-QWHCGFSZSA-N 2 2 253.346 0.663 10 0 CCAELP COC[C@H](O)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000127358679 389174047 /nfs/dbraw/zinc/17/40/47/389174047.db2.gz YRKPFTKBBFBRGZ-QWHCGFSZSA-N 2 2 253.346 0.663 10 0 CCAELP CCC[C@@H](C(=O)NC[C@H]1C[N@H+](C)CCO1)[NH+](C)C ZINC000162514554 389419585 /nfs/dbraw/zinc/41/95/85/389419585.db2.gz UKWNWVWKUUTVBA-RYUDHWBXSA-N 2 2 257.378 0.164 10 0 CCAELP CCC[C@@H](C(=O)NC[C@H]1C[N@@H+](C)CCO1)[NH+](C)C ZINC000162514554 389419588 /nfs/dbraw/zinc/41/95/88/389419588.db2.gz UKWNWVWKUUTVBA-RYUDHWBXSA-N 2 2 257.378 0.164 10 0 CCAELP Nc1nc(-n2cccn2)cc(N2CC[C@H]3CC[C@@H](C2)[NH2+]3)[nH+]1 ZINC000333601618 389434902 /nfs/dbraw/zinc/43/49/02/389434902.db2.gz WNDRHZPLNNENOM-MNOVXSKESA-N 2 2 285.355 0.406 10 0 CCAELP C[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000335368509 389551018 /nfs/dbraw/zinc/55/10/18/389551018.db2.gz MIQBDGNLGALZNT-ZJUUUORDSA-N 2 2 261.316 0.394 10 0 CCAELP C(CN1CC[C@@H]([NH+]2CCOCC2)C1)C[NH+]1CCCC1 ZINC000179251382 389648643 /nfs/dbraw/zinc/64/86/43/389648643.db2.gz ODTOZABBJMLOSA-OAHLLOKOSA-N 2 2 267.417 0.879 10 0 CCAELP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)CO[C@@H](C)COC)C1 ZINC000389264521 389771413 /nfs/dbraw/zinc/77/14/13/389771413.db2.gz PJQMIOBYZMBUNG-AVGNSLFASA-N 2 2 260.378 0.083 10 0 CCAELP CC[N@H+]1CC[C@H]([NH2+]C[C@H](O)CO[C@@H](C)COC)C1 ZINC000389264521 389771414 /nfs/dbraw/zinc/77/14/14/389771414.db2.gz PJQMIOBYZMBUNG-AVGNSLFASA-N 2 2 260.378 0.083 10 0 CCAELP c1nc(N2CCOCC2)cc(NC[C@H]2CCC[NH2+]C2)[nH+]1 ZINC000420148574 389958641 /nfs/dbraw/zinc/95/86/41/389958641.db2.gz AADWCMPLZYVYSG-LBPRGKRZSA-N 2 2 277.372 0.725 10 0 CCAELP c1nc(NC[C@H]2CCC[NH2+]C2)cc(N2CCOCC2)[nH+]1 ZINC000420148574 389958643 /nfs/dbraw/zinc/95/86/43/389958643.db2.gz AADWCMPLZYVYSG-LBPRGKRZSA-N 2 2 277.372 0.725 10 0 CCAELP CC1CC[NH+](CC[NH2+][C@@H]2CCC(=O)N[C@@H]2C)CC1 ZINC000440948464 390047358 /nfs/dbraw/zinc/04/73/58/390047358.db2.gz BFIXOBCSCJUSRM-CHWSQXEVSA-N 2 2 253.390 0.975 10 0 CCAELP CC[NH+](CC)CCCNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000368649353 144237643 /nfs/dbraw/zinc/23/76/43/144237643.db2.gz DHIAUPXKQUFUBF-SNVBAGLBSA-N 2 2 263.332 0.832 10 0 CCAELP CCOCC[N@@H+]1CCN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC000117275899 286083963 /nfs/dbraw/zinc/08/39/63/286083963.db2.gz GCZVVIIAVVDSQZ-CQSZACIVSA-N 2 2 285.432 0.897 10 0 CCAELP CCOCC[N@H+]1CCN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC000117275899 286083964 /nfs/dbraw/zinc/08/39/64/286083964.db2.gz GCZVVIIAVVDSQZ-CQSZACIVSA-N 2 2 285.432 0.897 10 0 CCAELP C[C@@H](C(=O)Nc1ccccc1C[NH3+])[N@@H+]1CCC[C@@H]1C(N)=O ZINC000020294567 171135030 /nfs/dbraw/zinc/13/50/30/171135030.db2.gz QNPJGLMRTZREHO-GXFFZTMASA-N 2 2 290.367 0.422 10 0 CCAELP C[C@@H](C(=O)Nc1ccccc1C[NH3+])[N@H+]1CCC[C@@H]1C(N)=O ZINC000020294567 171135032 /nfs/dbraw/zinc/13/50/32/171135032.db2.gz QNPJGLMRTZREHO-GXFFZTMASA-N 2 2 290.367 0.422 10 0 CCAELP [NH3+]Cc1ccccc1NC(=O)CCC[N@@H+]1CCNC(=O)C1 ZINC000022152196 171359304 /nfs/dbraw/zinc/35/93/04/171359304.db2.gz XSKUNZFRLHLDLM-UHFFFAOYSA-N 2 2 290.367 0.296 10 0 CCAELP [NH3+]Cc1ccccc1NC(=O)CCC[N@H+]1CCNC(=O)C1 ZINC000022152196 171359306 /nfs/dbraw/zinc/35/93/06/171359306.db2.gz XSKUNZFRLHLDLM-UHFFFAOYSA-N 2 2 290.367 0.296 10 0 CCAELP C[C@@H]1C[NH+]([C@@H]2CC3(CC[C@@H]2[NH3+])OCCO3)C[C@@H](C)O1 ZINC000023068994 171409663 /nfs/dbraw/zinc/40/96/63/171409663.db2.gz FNIBFNSKBHBJLN-FVCCEPFGSA-N 2 2 270.373 0.719 10 0 CCAELP CN(C)C(=O)C[N@H+](C)Cc1ccc(C[NH3+])cc1F ZINC000037270246 173082713 /nfs/dbraw/zinc/08/27/13/173082713.db2.gz SCDBDBNIVIRPEO-UHFFFAOYSA-N 2 2 253.321 0.804 10 0 CCAELP CN(C)C(=O)C[N@@H+](C)Cc1ccc(C[NH3+])cc1F ZINC000037270246 173082716 /nfs/dbraw/zinc/08/27/16/173082716.db2.gz SCDBDBNIVIRPEO-UHFFFAOYSA-N 2 2 253.321 0.804 10 0 CCAELP C[C@H](CNC1CC[NH+](CC(=O)N(C)C)CC1)[NH+](C)C ZINC000038087548 174099365 /nfs/dbraw/zinc/09/93/65/174099365.db2.gz POWIZFCQZSHULQ-GFCCVEGCSA-N 2 2 270.421 0.079 10 0 CCAELP C[N@H+](Cc1ccccc1)[C@@H](C[NH3+])CN1CCOCC1 ZINC000076678781 177057075 /nfs/dbraw/zinc/05/70/75/177057075.db2.gz MYHPOQBPIODHOB-HNNXBMFYSA-N 2 2 263.385 0.778 10 0 CCAELP C[N@@H+](Cc1ccccc1)[C@@H](C[NH3+])CN1CCOCC1 ZINC000076678781 177057076 /nfs/dbraw/zinc/05/70/76/177057076.db2.gz MYHPOQBPIODHOB-HNNXBMFYSA-N 2 2 263.385 0.778 10 0 CCAELP C[C@@]1(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)CCC[NH2+]1 ZINC000079521466 544474113 /nfs/dbraw/zinc/47/41/13/544474113.db2.gz HEQRNWATEBLJEW-JSGCOSHPSA-N 2 2 267.373 0.062 10 0 CCAELP [NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000089462260 544514098 /nfs/dbraw/zinc/51/40/98/544514098.db2.gz VHAURKOEOVBXDR-MELADBBJSA-N 2 2 281.400 0.295 10 0 CCAELP CC(C)[C@H]([NH3+])CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000136425424 544638555 /nfs/dbraw/zinc/63/85/55/544638555.db2.gz FVGOBULZFHNIPE-GFCCVEGCSA-N 2 2 271.405 0.587 10 0 CCAELP Cn1ncc2c1nc(N[C@@H]1CCC[C@H]([NH3+])C1)[nH+]c2N ZINC000333544088 545040076 /nfs/dbraw/zinc/04/00/76/545040076.db2.gz OHDQINSCFOLRQI-JGVFFNPUSA-N 2 2 261.333 0.049 10 0 CCAELP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000105125182 279159022 /nfs/dbraw/zinc/15/90/22/279159022.db2.gz GWGCUTZLRYGTRV-OLZOCXBDSA-N 2 2 286.420 0.347 10 0 CCAELP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000105125182 279159025 /nfs/dbraw/zinc/15/90/25/279159025.db2.gz GWGCUTZLRYGTRV-OLZOCXBDSA-N 2 2 286.420 0.347 10 0 CCAELP CC(C)[NH2+]CCCS(=O)(=O)N1CCn2cc[nH+]c2C1 ZINC000062326881 519720867 /nfs/dbraw/zinc/72/08/67/519720867.db2.gz QJYOSVYATUKLAR-UHFFFAOYSA-N 2 2 286.401 0.417 10 0 CCAELP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCNS(C)(=O)=O ZINC000054628182 519907916 /nfs/dbraw/zinc/90/79/16/519907916.db2.gz BIOMHJQUJIVLNN-YHWZYXNKSA-N 2 2 289.445 0.531 10 0 CCAELP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCNS(C)(=O)=O ZINC000054628182 519907919 /nfs/dbraw/zinc/90/79/19/519907919.db2.gz BIOMHJQUJIVLNN-YHWZYXNKSA-N 2 2 289.445 0.531 10 0 CCAELP CCOCC[N@@H+]1CCN(CCn2cc[nH+]c2)C[C@@H]1C ZINC000161675812 519920412 /nfs/dbraw/zinc/92/04/12/519920412.db2.gz OBELYOQSKKZRKP-AWEZNQCLSA-N 2 2 266.389 0.926 10 0 CCAELP CCOCC[N@H+]1CCN(CCn2cc[nH+]c2)C[C@@H]1C ZINC000161675812 519920416 /nfs/dbraw/zinc/92/04/16/519920416.db2.gz OBELYOQSKKZRKP-AWEZNQCLSA-N 2 2 266.389 0.926 10 0 CCAELP CCC[NH2+]C[C@@H]1CC[C@@H](C[NH+]2CCS(=O)CC2)O1 ZINC000052516451 519923757 /nfs/dbraw/zinc/92/37/57/519923757.db2.gz VKNXKLCSWYMSPO-STQMWFEESA-N 2 2 274.430 0.598 10 0 CCAELP C[C@@H]1C[NH2+]CCC[N@H+](C[C@@H]2CCS(=O)(=O)C2)C1 ZINC000050604623 525087708 /nfs/dbraw/zinc/08/77/08/525087708.db2.gz NZCQXJANBFNQER-NEPJUHHUSA-N 2 2 260.403 0.353 10 0 CCAELP C[C@@H]1C[NH2+]CCC[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C1 ZINC000050604623 525087718 /nfs/dbraw/zinc/08/77/18/525087718.db2.gz NZCQXJANBFNQER-NEPJUHHUSA-N 2 2 260.403 0.353 10 0 CCAELP CC(C)(C)OC(=O)N[C@@H]1C[NH2+]CC[C@H]1C1C[NH2+]C[NH2+]C1 ZINC000669384841 545206414 /nfs/dbraw/zinc/20/64/14/545206414.db2.gz JFESKUDHTZKLEP-NWDGAFQWSA-N 3 2 284.404 0.256 10 0 CCAELP [NH3+][C@@H](CC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)C1CC1 ZINC000124032131 646240360 /nfs/dbraw/zinc/24/03/60/646240360.db2.gz JSVHKJKIQBCFPW-STQMWFEESA-N 2 2 267.373 0.047 10 0 CCAELP C[C@@H]1CN(C(=O)C[N@H+](C)[C@H]2CCC[NH2+]CC2)CCO1 ZINC000300241353 648106234 /nfs/dbraw/zinc/10/62/34/648106234.db2.gz AXIKKKGTQXWVRP-OLZOCXBDSA-N 2 2 269.389 0.308 10 0 CCAELP C[C@@H]1CN(C(=O)C[N@@H+](C)[C@H]2CCC[NH2+]CC2)CCO1 ZINC000300241353 648106239 /nfs/dbraw/zinc/10/62/39/648106239.db2.gz AXIKKKGTQXWVRP-OLZOCXBDSA-N 2 2 269.389 0.308 10 0 CCAELP C[N@@H+]1CCO[C@H](CNC(=O)CC[NH2+]C(C)(C)C)C1 ZINC000091669200 649708673 /nfs/dbraw/zinc/70/86/73/649708673.db2.gz KJGUNVRUAXYGFO-LLVKDONJSA-N 2 2 257.378 0.211 10 0 CCAELP C[N@H+]1CCO[C@H](CNC(=O)CC[NH2+]C(C)(C)C)C1 ZINC000091669200 649708675 /nfs/dbraw/zinc/70/86/75/649708675.db2.gz KJGUNVRUAXYGFO-LLVKDONJSA-N 2 2 257.378 0.211 10 0 CCAELP