smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C#CC[NH+]1CCC(C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)CC1 ZINC000050031745 1068382730 /nfs/dbraw/zinc/38/27/30/1068382730.db2.gz NGTWWAZAEPFHQD-UHFFFAOYSA-N 2 0 419.551 -0.005 20 0 HBADRP C[NH+](C)CCC1CC[NH+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000056522791 1069016333 /nfs/dbraw/zinc/01/63/33/1069016333.db2.gz GSHONWCVLLPHTL-UHFFFAOYSA-N 2 0 409.575 -0.347 20 0 HBADRP CC(C)[NH+](C)CC(=O)N1CCN(S(=O)(=O)CCNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC000109312508 1069216928 /nfs/dbraw/zinc/21/69/28/1069216928.db2.gz RBUMKUAHUNCIJU-UHFFFAOYSA-N 2 0 419.592 -0.743 20 0 HBADRP COCCNc1nc(N2C[C@@H]3C[NH+](C)C[C@@H]3C2)nc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)n1 ZINC000302850923 1071297045 /nfs/dbraw/zinc/29/70/45/1071297045.db2.gz IVIIIGQBSACPRJ-WNKDZCFJSA-N 2 0 402.547 -0.075 20 0 HBADRP CC[C@H](CO)[NH+]1CCN(c2nc(OC)nc(N3CC[NH+]([C@H](CC)CO)CC3)n2)CC1 ZINC000426892045 1070437951 /nfs/dbraw/zinc/43/79/51/1070437951.db2.gz UBXLZUHLIXLRRS-IAGOWNOFSA-N 2 0 423.562 -0.334 20 0 HBADRP CC[C@@H](CO)[NH+]1CCN(c2nc(OC)nc(N3CC[NH+]([C@@H](CC)CO)CC3)n2)CC1 ZINC000426892046 1070437907 /nfs/dbraw/zinc/43/79/07/1070437907.db2.gz UBXLZUHLIXLRRS-IRXDYDNUSA-N 2 0 423.562 -0.334 20 0 HBADRP COc1nc(N2CC[NH+](CC(C)(C)O)CC2)nc(N2CC[NH+](CC(C)(C)O)CC2)n1 ZINC000426905647 1070440936 /nfs/dbraw/zinc/44/09/36/1070440936.db2.gz VCJPSYBRQWJCBC-UHFFFAOYSA-N 2 0 423.562 -0.334 20 0 HBADRP COc1nc(NCC2([NH+](C)C)CCOCC2)nc(NCC2([NH+](C)C)CCOCC2)n1 ZINC000426905899 1070440974 /nfs/dbraw/zinc/44/09/74/1070440974.db2.gz XIGQDIOYMFVYGB-UHFFFAOYSA-N 2 0 423.562 -0.231 20 0 HBADRP CC1CC[NH+](C[C@@H](O)CNC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000426937163 1070444769 /nfs/dbraw/zinc/44/47/69/1070444769.db2.gz NIEBEAUMZKISFH-KRWDZBQOSA-N 2 0 406.531 0.297 20 0 HBADRP CC1CC[NH+](C[C@H](O)CNC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000426937164 1070444698 /nfs/dbraw/zinc/44/46/98/1070444698.db2.gz NIEBEAUMZKISFH-QGZVFWFLSA-N 2 0 406.531 0.297 20 0 HBADRP COCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[C@@H](C(=O)N[C@H]3CC[N@@H+](CCOC)C3)O2)C1 ZINC000426995607 1070450209 /nfs/dbraw/zinc/45/02/09/1070450209.db2.gz RTYIHCSTMKMJDF-MHORFTMASA-N 2 0 412.531 -0.792 20 0 HBADRP COCC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)N[C@H]3CC[N@@H+](CCOC)C3)O2)C1 ZINC000426995608 1070450408 /nfs/dbraw/zinc/45/04/08/1070450408.db2.gz RTYIHCSTMKMJDF-USTZCAOPSA-N 2 0 412.531 -0.792 20 0 HBADRP COCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N[C@H]3CC[N@@H+](CCOC)C3)O2)C1 ZINC000426995609 1070450299 /nfs/dbraw/zinc/45/02/99/1070450299.db2.gz RTYIHCSTMKMJDF-XLAORIBOSA-N 2 0 412.531 -0.792 20 0 HBADRP COCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[C@@H](C(=O)N[C@H]3CC[N@@H+](CCOC)C3)O2)C1 ZINC000426995610 1070450323 /nfs/dbraw/zinc/45/03/23/1070450323.db2.gz RTYIHCSTMKMJDF-XSLAGTTESA-N 2 0 412.531 -0.792 20 0 HBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000427110480 1070466662 /nfs/dbraw/zinc/46/66/62/1070466662.db2.gz LMILLBUFNYRNLY-KRWDZBQOSA-N 2 0 406.531 0.561 20 0 HBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000427110481 1070466890 /nfs/dbraw/zinc/46/68/90/1070466890.db2.gz LMILLBUFNYRNLY-QGZVFWFLSA-N 2 0 406.531 0.561 20 0 HBADRP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CCN(CC[NH+]4CCCC4)CC3)n2)CC1 ZINC000427133498 1070468495 /nfs/dbraw/zinc/46/84/95/1070468495.db2.gz OZVVZWVPTMPNJM-UHFFFAOYSA-N 2 0 417.558 0.328 20 0 HBADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2CC[C@@H](C(=O)N3CCO[C@H](C[NH+](C)C)C3)O2)CCO1 ZINC000427452393 1070514803 /nfs/dbraw/zinc/51/48/03/1070514803.db2.gz JANRHAKWTCOYKF-BDXSIMOUSA-N 2 0 412.531 -0.888 20 0 HBADRP C[NH+](C)C[C@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)N3CCO[C@H](C[NH+](C)C)C3)O2)CCO1 ZINC000427452395 1070514951 /nfs/dbraw/zinc/51/49/51/1070514951.db2.gz JANRHAKWTCOYKF-FZDBZEDMSA-N 2 0 412.531 -0.888 20 0 HBADRP C[NH+](C)C[C@H]1CN(C(=O)[C@@H]2CC[C@@H](C(=O)N3CCO[C@H](C[NH+](C)C)C3)O2)CCO1 ZINC000427452397 1070514853 /nfs/dbraw/zinc/51/48/53/1070514853.db2.gz JANRHAKWTCOYKF-MHORFTMASA-N 2 0 412.531 -0.888 20 0 HBADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)N3CCO[C@H](C[NH+](C)C)C3)O2)CCO1 ZINC000427452399 1068764301 /nfs/dbraw/zinc/76/43/01/1068764301.db2.gz JANRHAKWTCOYKF-TVFCKZIOSA-N 2 0 412.531 -0.888 20 0 HBADRP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CC[C@@H](C[NH+]4CCOCC4)C3)n2)CC1 ZINC000427522779 1070523962 /nfs/dbraw/zinc/52/39/62/1070523962.db2.gz RAUNLSPIGVXVNI-INIZCTEOSA-N 2 0 404.515 0.269 20 0 HBADRP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CC[C@H](C[NH+]4CCOCC4)C3)n2)CC1 ZINC000427522782 1070523773 /nfs/dbraw/zinc/52/37/73/1070523773.db2.gz RAUNLSPIGVXVNI-MRXNPFEDSA-N 2 0 404.515 0.269 20 0 HBADRP C[C@@H]1[C@H](C)[NH+](C)CCN1C(=O)c1ccc(=O)n(CC(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)n1 ZINC000428021528 1070764891 /nfs/dbraw/zinc/76/48/91/1070764891.db2.gz JANYIGKAOLBCHK-LTIDMASMSA-N 2 0 418.542 -0.041 20 0 HBADRP C[C@@H]1[C@H](C)N(C(=O)c2ccc(=O)n(CC(=O)N3CC[N@@H+](C)[C@H](C)[C@@H]3C)n2)CC[NH+]1C ZINC000428021531 1068845678 /nfs/dbraw/zinc/84/56/78/1068845678.db2.gz JANYIGKAOLBCHK-NCOADZHNSA-N 2 0 418.542 -0.041 20 0 HBADRP C[C@@H]1[C@H](C)N(C(=O)Cn2nc(C(=O)N3CC[NH+](C)[C@@H](C)[C@@H]3C)ccc2=O)CC[N@H+]1C ZINC000428021533 1070764633 /nfs/dbraw/zinc/76/46/33/1070764633.db2.gz JANYIGKAOLBCHK-QZWWFDLISA-N 2 0 418.542 -0.041 20 0 HBADRP C[C@@H]1[C@@H](C)[NH+](C)CCN1C(=O)c1ccc(=O)n(CC(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)n1 ZINC000428021536 1068845575 /nfs/dbraw/zinc/84/55/75/1068845575.db2.gz JANYIGKAOLBCHK-WCXIOVBPSA-N 2 0 418.542 -0.041 20 0 HBADRP C[C@@H]1C[NH+](C)[C@@H](C)CN1C(=O)c1ccc(=O)n(CC(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)n1 ZINC000428021655 1070764744 /nfs/dbraw/zinc/76/47/44/1070764744.db2.gz GBXBSMVUTPGMBJ-LTIDMASMSA-N 2 0 418.542 -0.041 20 0 HBADRP C[C@@H]1CN(C(=O)Cn2nc(C(=O)N3C[C@H](C)[NH+](C)C[C@@H]3C)ccc2=O)[C@@H](C)C[N@@H+]1C ZINC000428021656 1070764944 /nfs/dbraw/zinc/76/49/44/1070764944.db2.gz GBXBSMVUTPGMBJ-QZWWFDLISA-N 2 0 418.542 -0.041 20 0 HBADRP C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)Cn1nc(C(=O)N2C[C@H](C)[NH+](C)C[C@@H]2C)ccc1=O ZINC000428021657 1068845903 /nfs/dbraw/zinc/84/59/03/1068845903.db2.gz GBXBSMVUTPGMBJ-TWMKSMIVSA-N 2 0 418.542 -0.041 20 0 HBADRP C[C@@H]1C[NH+](C)[C@@H](C)CN1C(=O)c1ccc(=O)n(CC(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)n1 ZINC000428021658 1070764794 /nfs/dbraw/zinc/76/47/94/1070764794.db2.gz GBXBSMVUTPGMBJ-YYIAUSFCSA-N 2 0 418.542 -0.041 20 0 HBADRP C[NH+](C/C=C/C[N@@H+](C)[C@H]1CCN(S(C)(=O)=O)C1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428808026 1071351720 /nfs/dbraw/zinc/35/17/20/1071351720.db2.gz SHYDEHYOAFGWQY-AXHPFZFWSA-N 2 0 408.590 -0.526 20 0 HBADRP C[NH+](C/C=C/C[N@@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428808027 1071351561 /nfs/dbraw/zinc/35/15/61/1071351561.db2.gz SHYDEHYOAFGWQY-DOOVEFGSSA-N 2 0 408.590 -0.526 20 0 HBADRP C[NH+](C/C=C\C[N@@H+](C)[C@H]1CCN(S(C)(=O)=O)C1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428808028 1071351639 /nfs/dbraw/zinc/35/16/39/1071351639.db2.gz SHYDEHYOAFGWQY-HNXFAEETSA-N 2 0 408.590 -0.526 20 0 HBADRP C[NH+](C/C=C\C[N@@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428808029 1071351462 /nfs/dbraw/zinc/35/14/62/1071351462.db2.gz SHYDEHYOAFGWQY-ILNYKDOHSA-N 2 0 408.590 -0.526 20 0 HBADRP COC(=O)Cn1cc(CNC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)nn1 ZINC000429079939 1069387341 /nfs/dbraw/zinc/38/73/41/1069387341.db2.gz BRGLFPVZHPYGMU-UHFFFAOYSA-N 2 0 416.486 -0.142 20 0 HBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCNS(=O)(=O)NC(C)C ZINC000429192034 1069424462 /nfs/dbraw/zinc/42/44/62/1069424462.db2.gz QFECJXSRUVLZRC-INIZCTEOSA-N 2 0 406.597 -0.124 20 0 HBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCNS(=O)(=O)NC(C)C ZINC000429192035 1069424626 /nfs/dbraw/zinc/42/46/26/1069424626.db2.gz QFECJXSRUVLZRC-MRXNPFEDSA-N 2 0 406.597 -0.124 20 0 HBADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC000429325386 1069587958 /nfs/dbraw/zinc/58/79/58/1069587958.db2.gz ALIZECKBEXMAOW-UHFFFAOYSA-N 2 0 416.548 -0.239 20 0 HBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NCC(=O)NCC[NH+]2CCCCCC2)C1 ZINC000431918165 1069094347 /nfs/dbraw/zinc/09/43/47/1069094347.db2.gz FLFQQMRZQIWZRJ-KRWDZBQOSA-N 2 0 410.563 -0.135 20 0 HBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NCC(=O)NCC[NH+]2CCCCCC2)C1 ZINC000431918166 1069094271 /nfs/dbraw/zinc/09/42/71/1069094271.db2.gz FLFQQMRZQIWZRJ-QGZVFWFLSA-N 2 0 410.563 -0.135 20 0 HBADRP O=C(CNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)NCC[NH+]1CCCCCC1 ZINC000432429795 1069274066 /nfs/dbraw/zinc/27/40/66/1069274066.db2.gz HRMKYXOLVCDKCG-UHFFFAOYSA-N 2 0 422.574 -0.072 20 0 HBADRP Cc1nc(N2CCC[NH+]([C@H](C)CO)CC2)nc(N2CCC[N@@H+]([C@@H](C)CO)CC2)n1 ZINC000432827066 1069343693 /nfs/dbraw/zinc/34/36/93/1069343693.db2.gz AQQSBSJMKKAGDR-CALCHBBNSA-N 2 0 407.563 -0.034 20 0 HBADRP Cc1nc(N2CCC[NH+]([C@H](C)CO)CC2)nc(N2CCC[N@@H+]([C@H](C)CO)CC2)n1 ZINC000432827067 1069344203 /nfs/dbraw/zinc/34/42/03/1069344203.db2.gz AQQSBSJMKKAGDR-IAGOWNOFSA-N 2 0 407.563 -0.034 20 0 HBADRP Cc1nc(N2CCC[NH+]([C@@H](C)CO)CC2)nc(N2CCC[N@@H+]([C@@H](C)CO)CC2)n1 ZINC000432827068 1069343911 /nfs/dbraw/zinc/34/39/11/1069343911.db2.gz AQQSBSJMKKAGDR-IRXDYDNUSA-N 2 0 407.563 -0.034 20 0 HBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cn1 ZINC000434558120 1069792432 /nfs/dbraw/zinc/79/24/32/1069792432.db2.gz UTKATTLNMFMMCR-KRWDZBQOSA-N 2 0 419.530 -0.368 20 0 HBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cn1 ZINC000434558122 1069792803 /nfs/dbraw/zinc/79/28/03/1069792803.db2.gz UTKATTLNMFMMCR-QGZVFWFLSA-N 2 0 419.530 -0.368 20 0 HBADRP C[NH+](C)C1CCN(CC(=O)N2CCN(C(=O)CN3CCC([NH+](C)C)CC3)CC2)CC1 ZINC000434674936 1069807872 /nfs/dbraw/zinc/80/78/72/1069807872.db2.gz JKQYVJJTMYFATA-UHFFFAOYSA-N 2 0 422.618 -0.291 20 0 HBADRP CN(C[C@H](O)CN1CCOCC1)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000435515250 1069917500 /nfs/dbraw/zinc/91/75/00/1069917500.db2.gz OTCMQWLTFXAETE-FQEVSTJZSA-N 2 0 420.558 -0.072 20 0 HBADRP CN(C[C@@H](O)CN1CCOCC1)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000435515251 1069917151 /nfs/dbraw/zinc/91/71/51/1069917151.db2.gz OTCMQWLTFXAETE-HXUWFJFHSA-N 2 0 420.558 -0.072 20 0 HBADRP C[C@H](Cn1cccn1)[NH2+]CC(=O)N1CCN(C(=O)C[NH2+][C@@H](C)Cn2cccn2)CC1 ZINC000436117222 1069957182 /nfs/dbraw/zinc/95/71/82/1069957182.db2.gz ZAPJDQUQZZIJNQ-HDICACEKSA-N 2 0 416.530 -0.593 20 0 HBADRP C[C@H](Cn1cccn1)[NH2+]CC(=O)N1CCN(C(=O)C[NH2+][C@H](C)Cn2cccn2)CC1 ZINC000436117227 1069957020 /nfs/dbraw/zinc/95/70/20/1069957020.db2.gz ZAPJDQUQZZIJNQ-QZTJIDSGSA-N 2 0 416.530 -0.593 20 0 HBADRP C[C@@H](Cn1cccn1)[NH2+]CC(=O)N1CCN(C(=O)C[NH2+][C@@H](C)Cn2cccn2)CC1 ZINC000436117229 1069957872 /nfs/dbraw/zinc/95/78/72/1069957872.db2.gz ZAPJDQUQZZIJNQ-ROUUACIJSA-N 2 0 416.530 -0.593 20 0 HBADRP CC(C)[NH+](CC(=O)N1CCN(C(=O)C[N@@H+](C[C@@H](C)O)C(C)C)CC1)C[C@H](C)O ZINC000436396310 1069975095 /nfs/dbraw/zinc/97/50/95/1069975095.db2.gz YTUAPWCLJNIGDE-HDICACEKSA-N 2 0 400.564 -0.160 20 0 HBADRP CC(C)[NH+](CC(=O)N1CCN(C(=O)C[N@@H+](C[C@@H](C)O)C(C)C)CC1)C[C@@H](C)O ZINC000436396312 1069974817 /nfs/dbraw/zinc/97/48/17/1069974817.db2.gz YTUAPWCLJNIGDE-QZTJIDSGSA-N 2 0 400.564 -0.160 20 0 HBADRP CC(C)[NH+](CC(=O)N1CCN(C(=O)C[N@@H+](C[C@H](C)O)C(C)C)CC1)C[C@H](C)O ZINC000436396314 1069974989 /nfs/dbraw/zinc/97/49/89/1069974989.db2.gz YTUAPWCLJNIGDE-ROUUACIJSA-N 2 0 400.564 -0.160 20 0 HBADRP CC[NH+](CC(=O)N1CCN(C(=O)C[N@@H+](CC)CC(C)(C)O)CC1)CC(C)(C)O ZINC000436416806 1069976668 /nfs/dbraw/zinc/97/66/68/1069976668.db2.gz YRORFHFMSYBHAX-UHFFFAOYSA-N 2 0 400.564 -0.157 20 0 HBADRP CCC[NH+]1CCC(N(C)C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CC1 ZINC000437237705 1070040876 /nfs/dbraw/zinc/04/08/76/1070040876.db2.gz QQRUFTHEICHGIM-UHFFFAOYSA-N 2 0 421.546 -0.168 20 0 HBADRP COc1ncc(NC(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)cc1C(N)=O ZINC000437437598 1070062290 /nfs/dbraw/zinc/06/22/90/1070062290.db2.gz GYCGMIUPCGHXDM-UHFFFAOYSA-N 2 0 406.487 -0.388 20 0 HBADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000437438392 1070062406 /nfs/dbraw/zinc/06/24/06/1070062406.db2.gz IIRSRHXSKHVTDQ-UHFFFAOYSA-N 2 0 411.528 -0.243 20 0 HBADRP O=C(NCC[NH+]1CCCOCC1)[C@H]1CC[C@H](C(=O)NCC[N@@H+]2CCCOCC2)O1 ZINC000438669781 1070164006 /nfs/dbraw/zinc/16/40/06/1070164006.db2.gz BGPDHSSPYHXRJU-QZTJIDSGSA-N 2 0 412.531 -0.789 20 0 HBADRP O=C(NCC[NH+]1CCCOCC1)[C@@H]1CC[C@@H](C(=O)NCC[N@@H+]2CCCOCC2)O1 ZINC000438669784 1070163712 /nfs/dbraw/zinc/16/37/12/1070163712.db2.gz BGPDHSSPYHXRJU-ROUUACIJSA-N 2 0 412.531 -0.789 20 0 HBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)cn1 ZINC000438729194 1070173493 /nfs/dbraw/zinc/17/34/93/1070173493.db2.gz ZYOFBDRDOCMVQD-KRWDZBQOSA-N 2 0 419.530 -0.414 20 0 HBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cn1 ZINC000438729197 1070173529 /nfs/dbraw/zinc/17/35/29/1070173529.db2.gz ZYOFBDRDOCMVQD-QGZVFWFLSA-N 2 0 419.530 -0.414 20 0 HBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cnn(CC(=O)NC)c1 ZINC000439213220 1070246500 /nfs/dbraw/zinc/24/65/00/1070246500.db2.gz UPQBBKPDXOATEO-INIZCTEOSA-N 2 0 407.519 -0.558 20 0 HBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cnn(CC(=O)NC)c1 ZINC000439213222 1070246315 /nfs/dbraw/zinc/24/63/15/1070246315.db2.gz UPQBBKPDXOATEO-MRXNPFEDSA-N 2 0 407.519 -0.558 20 0 HBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1 ZINC000439216491 1070247207 /nfs/dbraw/zinc/24/72/07/1070247207.db2.gz PDJFJVWGJVBLOI-INIZCTEOSA-N 2 0 421.546 -0.216 20 0 HBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1 ZINC000439216494 1070246922 /nfs/dbraw/zinc/24/69/22/1070246922.db2.gz PDJFJVWGJVBLOI-MRXNPFEDSA-N 2 0 421.546 -0.216 20 0 HBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1 ZINC000439218510 1070245680 /nfs/dbraw/zinc/24/56/80/1070245680.db2.gz VHVMJLAHKRKMMM-KRWDZBQOSA-N 2 0 421.546 -0.216 20 0 HBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1 ZINC000439218511 1070245822 /nfs/dbraw/zinc/24/58/22/1070245822.db2.gz VHVMJLAHKRKMMM-QGZVFWFLSA-N 2 0 421.546 -0.216 20 0 HBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(C)n(CC(=O)NC)n1 ZINC000439221047 1070248206 /nfs/dbraw/zinc/24/82/06/1070248206.db2.gz GHPGHVMTOYTHHW-INIZCTEOSA-N 2 0 421.546 -0.249 20 0 HBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(C)n(CC(=O)NC)n1 ZINC000439221048 1070247823 /nfs/dbraw/zinc/24/78/23/1070247823.db2.gz GHPGHVMTOYTHHW-MRXNPFEDSA-N 2 0 421.546 -0.249 20 0 HBADRP CN(C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000439589820 1070289738 /nfs/dbraw/zinc/28/97/38/1070289738.db2.gz QNSBWZGXTZFZLD-INIZCTEOSA-N 2 0 405.503 -0.806 20 0 HBADRP CN(C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000439589821 1070289672 /nfs/dbraw/zinc/28/96/72/1070289672.db2.gz QNSBWZGXTZFZLD-MRXNPFEDSA-N 2 0 405.503 -0.806 20 0 HBADRP OCCC[NH+]1CCN(c2cc(N3CC[NH+](CCCO)CC3)n3ncnc3n2)CC1 ZINC000439956236 1070321155 /nfs/dbraw/zinc/32/11/55/1070321155.db2.gz FVEJZPVCSTYIPC-UHFFFAOYSA-N 2 0 404.519 -0.867 20 0 HBADRP OCC[NH+]1CCCN(c2cc(N3CCC[N@@H+](CCO)CC3)nc3ncnn32)CC1 ZINC000439957343 1070320864 /nfs/dbraw/zinc/32/08/64/1070320864.db2.gz OKMRQBAJOCXLQQ-UHFFFAOYSA-N 2 0 404.519 -0.867 20 0 HBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCCC23CC[NH+](C)CC3)cn1 ZINC000440949663 1070565308 /nfs/dbraw/zinc/56/53/08/1070565308.db2.gz AFGHSUCLBFPKCS-UHFFFAOYSA-N 2 0 419.530 -0.414 20 0 HBADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)[C@@H](C)C1 ZINC000441048995 1070579105 /nfs/dbraw/zinc/57/91/05/1070579105.db2.gz UCKCWHCIULRKFV-DOTOQJQBSA-N 2 0 421.546 -0.312 20 0 HBADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)[C@H](C)C1 ZINC000441048996 1070578952 /nfs/dbraw/zinc/57/89/52/1070578952.db2.gz UCKCWHCIULRKFV-NVXWUHKLSA-N 2 0 421.546 -0.312 20 0 HBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)[C@@H](C)C1 ZINC000441048997 1070579232 /nfs/dbraw/zinc/57/92/32/1070579232.db2.gz UCKCWHCIULRKFV-RDJZCZTQSA-N 2 0 421.546 -0.312 20 0 HBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)[C@H](C)C1 ZINC000441048998 1070579166 /nfs/dbraw/zinc/57/91/66/1070579166.db2.gz UCKCWHCIULRKFV-WBVHZDCISA-N 2 0 421.546 -0.312 20 0 HBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)cn1 ZINC000441518447 1070668600 /nfs/dbraw/zinc/66/86/00/1070668600.db2.gz YFQRCEXPVYLWKV-DOTOQJQBSA-N 2 0 419.530 -0.558 20 0 HBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cn1 ZINC000441518454 1070668637 /nfs/dbraw/zinc/66/86/37/1070668637.db2.gz YFQRCEXPVYLWKV-NVXWUHKLSA-N 2 0 419.530 -0.558 20 0 HBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cn1 ZINC000441518459 1070668663 /nfs/dbraw/zinc/66/86/63/1070668663.db2.gz YFQRCEXPVYLWKV-RDJZCZTQSA-N 2 0 419.530 -0.558 20 0 HBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cn1 ZINC000441518462 1070668730 /nfs/dbraw/zinc/66/87/30/1070668730.db2.gz YFQRCEXPVYLWKV-WBVHZDCISA-N 2 0 419.530 -0.558 20 0 HBADRP CC(C)C[C@H](NC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)NCC[NH+](C)C ZINC000441574452 1070676155 /nfs/dbraw/zinc/67/61/55/1070676155.db2.gz SGZCGGDCFRNJJG-INIZCTEOSA-N 2 0 415.498 0.415 20 0 HBADRP CN(C(=O)c1ccc(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000441584039 1070677833 /nfs/dbraw/zinc/67/78/33/1070677833.db2.gz GVFLWMPIWMFHPB-MSOLQXFVSA-N 2 0 419.526 -0.170 20 0 HBADRP CN(C(=O)c1ccc(NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000441584040 1070677860 /nfs/dbraw/zinc/67/78/60/1070677860.db2.gz GVFLWMPIWMFHPB-QZTJIDSGSA-N 2 0 419.526 -0.170 20 0 HBADRP CN(C(=O)c1ccc(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000441584041 1070677732 /nfs/dbraw/zinc/67/77/32/1070677732.db2.gz GVFLWMPIWMFHPB-ROUUACIJSA-N 2 0 419.526 -0.170 20 0 HBADRP CN(C(=O)c1ccc(NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000441584042 1070677652 /nfs/dbraw/zinc/67/76/52/1070677652.db2.gz GVFLWMPIWMFHPB-ZWKOTPCHSA-N 2 0 419.526 -0.170 20 0 HBADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)NC[C@H](O)C[NH+](C)C ZINC000441594841 1070679188 /nfs/dbraw/zinc/67/91/88/1070679188.db2.gz WBOVPESBPSVABX-INIZCTEOSA-N 2 0 407.515 -0.186 20 0 HBADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C ZINC000441594842 1070679287 /nfs/dbraw/zinc/67/92/87/1070679287.db2.gz WBOVPESBPSVABX-MRXNPFEDSA-N 2 0 407.515 -0.186 20 0 HBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NC2CCC(C[NH+](C)C)CC2)cn1 ZINC000441772268 1070714080 /nfs/dbraw/zinc/71/40/80/1070714080.db2.gz DIJOMBOMWMMZSS-UHFFFAOYSA-N 2 0 421.546 -0.264 20 0 HBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)Nc1ccnc(C(=O)N2CCN(C)CC2)c1 ZINC000441912571 1070795880 /nfs/dbraw/zinc/79/58/80/1070795880.db2.gz UJIHWSQSWIYJMU-UHFFFAOYSA-N 2 0 402.499 -0.040 20 0 HBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)C1 ZINC000441993671 1070816264 /nfs/dbraw/zinc/81/62/64/1070816264.db2.gz SVXHPBSXZPQFTK-HNNXBMFYSA-N 2 0 419.482 -0.069 20 0 HBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)C1 ZINC000441993672 1070815886 /nfs/dbraw/zinc/81/58/86/1070815886.db2.gz SVXHPBSXZPQFTK-OAHLLOKOSA-N 2 0 419.482 -0.069 20 0 HBADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000442003846 1070820683 /nfs/dbraw/zinc/82/06/83/1070820683.db2.gz UJWTVAQZGXMEKY-SJORKVTESA-N 2 0 419.530 -0.415 20 0 HBADRP C[NH+](C)C[C@H]1CCN(S(=O)(=O)CCCS(=O)(=O)N2CC[C@@H](C[NH+](C)C)C2)C1 ZINC000442946585 1070951334 /nfs/dbraw/zinc/95/13/34/1070951334.db2.gz CHVGHHMLOHXBOE-CALCHBBNSA-N 2 0 424.633 -0.197 20 0 HBADRP C[NH+](C)C[C@H]1CCN(S(=O)(=O)CCCS(=O)(=O)N2CC[C@H](C[NH+](C)C)C2)C1 ZINC000442946587 1070951379 /nfs/dbraw/zinc/95/13/79/1070951379.db2.gz CHVGHHMLOHXBOE-IAGOWNOFSA-N 2 0 424.633 -0.197 20 0 HBADRP C[NH+](C)C[C@@H]1CCN(S(=O)(=O)CCCS(=O)(=O)N2CC[C@@H](C[NH+](C)C)C2)C1 ZINC000442946588 1070951931 /nfs/dbraw/zinc/95/19/31/1070951931.db2.gz CHVGHHMLOHXBOE-IRXDYDNUSA-N 2 0 424.633 -0.197 20 0 HBADRP C[NH+]1CC=C(CNS(=O)(=O)CCCS(=O)(=O)NCC2=CC[N@H+](C)CC2)CC1 ZINC000443049892 1070961251 /nfs/dbraw/zinc/96/12/51/1070961251.db2.gz QIOKFJGHKAXJGH-UHFFFAOYSA-N 2 0 420.601 -0.261 20 0 HBADRP C[NH+]1C[C@@H]2CN(S(=O)(=O)CCCS(=O)(=O)N3C[C@H]4C[N@@H+](C)C[C@H]4C3)C[C@@H]2C1 ZINC000443201312 1070981564 /nfs/dbraw/zinc/98/15/64/1070981564.db2.gz SFSNNILPGVIGFT-WNKDZCFJSA-N 2 0 420.601 -0.977 20 0 HBADRP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000443530934 1071078959 /nfs/dbraw/zinc/07/89/59/1071078959.db2.gz OJBBBAAODPCULG-UHFFFAOYSA-N 2 0 413.610 -0.986 20 0 HBADRP COCCn1ccc(NC(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000444512883 1071327902 /nfs/dbraw/zinc/32/79/02/1071327902.db2.gz WPWXARXUTLNYOJ-UHFFFAOYSA-N 2 0 415.498 0.192 20 0 HBADRP CC(C)(C)[C@@H](CO)[NH2+]CC(=O)N1CCN(C(=O)C[NH2+][C@H](CO)C(C)(C)C)CC1 ZINC000444687324 1071343839 /nfs/dbraw/zinc/34/38/39/1071343839.db2.gz UPVHIAMBQVUJMI-HZPDHXFCSA-N 2 0 400.564 -0.350 20 0 HBADRP CC(C)(C)[C@H](CO)[NH2+]CC(=O)N1CCN(C(=O)C[NH2+][C@@H](CO)C(C)(C)C)CC1 ZINC000444700079 1071345121 /nfs/dbraw/zinc/34/51/21/1071345121.db2.gz UPVHIAMBQVUJMI-HOTGVXAUSA-N 2 0 400.564 -0.350 20 0 HBADRP CC(C)(C)[C@H](CO)[NH2+]CC(=O)N1CCN(C(=O)C[NH2+][C@H](CO)C(C)(C)C)CC1 ZINC000444700080 1071345068 /nfs/dbraw/zinc/34/50/68/1071345068.db2.gz UPVHIAMBQVUJMI-IYBDPMFKSA-N 2 0 400.564 -0.350 20 0 HBADRP CC[N@H+](CCO)CCNC(=O)C(=O)Nc1cccc(CN2CCN(C(C)=O)CC2)c1 ZINC000445135278 1071379870 /nfs/dbraw/zinc/37/98/70/1071379870.db2.gz MMYHSXCBNOVKCE-UHFFFAOYSA-N 2 0 419.526 -0.280 20 0 HBADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000446043128 1071454243 /nfs/dbraw/zinc/45/42/43/1071454243.db2.gz ALQYOBJLQVLBLI-KRWDZBQOSA-N 2 0 421.546 -0.168 20 0 HBADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000446043129 1071454406 /nfs/dbraw/zinc/45/44/06/1071454406.db2.gz ALQYOBJLQVLBLI-QGZVFWFLSA-N 2 0 421.546 -0.168 20 0 HBADRP CC1(C)C[NH+](CC(=O)N2CCN(C(=O)C[N@@H+]3CC[C@H](O)C(C)(C)C3)CC2)CC[C@H]1O ZINC000446068018 1071456995 /nfs/dbraw/zinc/45/69/95/1071456995.db2.gz BUCAJNQLHJAFGR-HDICACEKSA-N 2 0 424.586 -0.157 20 0 HBADRP CC1(C)C[NH+](CC(=O)N2CCN(C(=O)C[N@@H+]3CC[C@@H](O)C(C)(C)C3)CC2)CC[C@H]1O ZINC000446068019 1071456682 /nfs/dbraw/zinc/45/66/82/1071456682.db2.gz BUCAJNQLHJAFGR-QZTJIDSGSA-N 2 0 424.586 -0.157 20 0 HBADRP CC1(C)C[NH+](CC(=O)N2CCN(C(=O)C[N@@H+]3CC[C@H](O)C(C)(C)C3)CC2)CC[C@@H]1O ZINC000446068020 1071457703 /nfs/dbraw/zinc/45/77/03/1071457703.db2.gz BUCAJNQLHJAFGR-ROUUACIJSA-N 2 0 424.586 -0.157 20 0 HBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 ZINC000446124350 1071465451 /nfs/dbraw/zinc/46/54/51/1071465451.db2.gz ABDBUQQKUQCYNT-CVEARBPZSA-N 2 0 414.576 -0.039 20 0 HBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1 ZINC000446124354 1071465503 /nfs/dbraw/zinc/46/55/03/1071465503.db2.gz ABDBUQQKUQCYNT-HOTGVXAUSA-N 2 0 414.576 -0.039 20 0 HBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 ZINC000446124356 1071465552 /nfs/dbraw/zinc/46/55/52/1071465552.db2.gz ABDBUQQKUQCYNT-HZPDHXFCSA-N 2 0 414.576 -0.039 20 0 HBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1 ZINC000446124358 1071465592 /nfs/dbraw/zinc/46/55/92/1071465592.db2.gz ABDBUQQKUQCYNT-JKSUJKDBSA-N 2 0 414.576 -0.039 20 0 HBADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000446199291 1071473514 /nfs/dbraw/zinc/47/35/14/1071473514.db2.gz ACNFAYVAXUBQJJ-UHFFFAOYSA-N 2 0 407.519 -0.558 20 0 HBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)n1 ZINC000446728574 1071513779 /nfs/dbraw/zinc/51/37/79/1071513779.db2.gz KKMHFWHVFREWSR-UHFFFAOYSA-N 2 0 406.531 0.344 20 0 HBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)n1 ZINC000446731482 1069544761 /nfs/dbraw/zinc/54/47/61/1069544761.db2.gz IPUPYZJGAGJHAR-UHFFFAOYSA-N 2 0 406.531 0.487 20 0 HBADRP CN1CCC(CNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)([NH+]2CCCCC2)CC1 ZINC000446732131 1071510527 /nfs/dbraw/zinc/51/05/27/1071510527.db2.gz ONHGRYMOBQQTRM-UHFFFAOYSA-N 2 0 419.574 0.450 20 0 HBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000446751041 1069545846 /nfs/dbraw/zinc/54/58/46/1069545846.db2.gz JQSOKGOMURQZFP-NRFANRHFSA-N 2 0 414.510 0.136 20 0 HBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000446751042 1071515854 /nfs/dbraw/zinc/51/58/54/1071515854.db2.gz JQSOKGOMURQZFP-OAQYLSRUSA-N 2 0 414.510 0.136 20 0 HBADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C(=O)Nc3ccn(CC[NH+](C)C)n3)CC2)CC1 ZINC000446800956 1069567174 /nfs/dbraw/zinc/56/71/74/1069567174.db2.gz ZUTXTWGSZUMUSG-UHFFFAOYSA-N 2 0 419.574 0.400 20 0 HBADRP C[C@@H]1CN(CC(O)CN2CC[N@H+](CC(C)(C)O)[C@H](C)C2)CC[NH+]1CC(C)(C)O ZINC000447270325 1068967713 /nfs/dbraw/zinc/96/77/13/1068967713.db2.gz GYIHOYCDBRMTSA-QZTJIDSGSA-N 2 0 400.608 -0.099 20 0 HBADRP C[C@@H]1CN(C[C@@H](O)CN2CC[NH+](CC(C)(C)O)[C@@H](C)C2)CC[N@@H+]1CC(C)(C)O ZINC000447270326 1068967677 /nfs/dbraw/zinc/96/76/77/1068967677.db2.gz GYIHOYCDBRMTSA-REPLKXPHSA-N 2 0 400.608 -0.099 20 0 HBADRP C[C@H]1CN(CC(O)CN2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)CC[NH+]1CC(C)(C)O ZINC000447270327 1068968323 /nfs/dbraw/zinc/96/83/23/1068968323.db2.gz GYIHOYCDBRMTSA-ROUUACIJSA-N 2 0 400.608 -0.099 20 0 HBADRP C[C@@H]1C[NH+](CC(C)(C)O)CCN1CC(O)CN1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000447272963 1068966472 /nfs/dbraw/zinc/96/64/72/1068966472.db2.gz UAJHQRZNIDLHEO-QZTJIDSGSA-N 2 0 400.608 -0.099 20 0 HBADRP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C[C@@H](O)CN1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000447272964 1068966398 /nfs/dbraw/zinc/96/63/98/1068966398.db2.gz UAJHQRZNIDLHEO-REPLKXPHSA-N 2 0 400.608 -0.099 20 0 HBADRP C[C@H]1C[NH+](CC(C)(C)O)CCN1CC(O)CN1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000447272965 1068966711 /nfs/dbraw/zinc/96/67/11/1068966711.db2.gz UAJHQRZNIDLHEO-ROUUACIJSA-N 2 0 400.608 -0.099 20 0 HBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NCC[N@@H+]2CCCC(C)(C)C2)cn1 ZINC000447426667 1068977463 /nfs/dbraw/zinc/97/74/63/1068977463.db2.gz DVEXJQBHZLPDRB-UHFFFAOYSA-N 2 0 421.546 -0.262 20 0 HBADRP COCCNc1nc(N[C@@H]2CC[NH+](C)[C@H](C)C2)nc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)n1 ZINC000448126247 1069028567 /nfs/dbraw/zinc/02/85/67/1069028567.db2.gz AZTAHNKFPZGILM-QBPKDAKJSA-N 2 0 406.579 -0.015 20 0 HBADRP CC[NH+]1CCC(Nc2nc(NCCOC)nc(NC3CC[NH+](CC)CC3)n2)CC1 ZINC000448131891 1069029577 /nfs/dbraw/zinc/02/95/77/1069029577.db2.gz CLMPHUQTJMIVTH-UHFFFAOYSA-N 2 0 406.579 -0.012 20 0 HBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)cn1 ZINC000448320963 1069041922 /nfs/dbraw/zinc/04/19/22/1069041922.db2.gz KYTCHMWJBSMRHU-INIZCTEOSA-N 2 0 421.546 -0.264 20 0 HBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)cn1 ZINC000448320971 1069042186 /nfs/dbraw/zinc/04/21/86/1069042186.db2.gz KYTCHMWJBSMRHU-MRXNPFEDSA-N 2 0 421.546 -0.264 20 0 HBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)n1 ZINC000448486021 1069057092 /nfs/dbraw/zinc/05/70/92/1069057092.db2.gz POMHHJSRDWTJAY-GOSISDBHSA-N 2 0 414.510 -0.081 20 0 HBADRP C[N@@H+]1CC[C@@](O)(CNC(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CC[NH+]2C3)C1 ZINC000460233099 1069357398 /nfs/dbraw/zinc/35/73/98/1069357398.db2.gz VCNBUFHYNNJNPB-BBTUJRGHSA-N 2 0 401.511 -0.049 20 0 HBADRP C[N@@H+]1CC[C@](O)(CNC(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CC[NH+]2C3)C1 ZINC000460233100 1069357506 /nfs/dbraw/zinc/35/75/06/1069357506.db2.gz VCNBUFHYNNJNPB-UEXGIBASSA-N 2 0 401.511 -0.049 20 0 HBADRP C[C@H](O)C[NH+]1CCN(C(=O)CCCC(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)C[C@@H]1C ZINC000461233282 1069661991 /nfs/dbraw/zinc/66/19/91/1069661991.db2.gz GJYHPASZTUGAOU-VJANTYMQSA-N 2 0 412.575 -0.016 20 0 HBADRP C[C@H](O)C[NH+]1CCN(C(=O)CCCC(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)C[C@H]1C ZINC000461233283 1069662785 /nfs/dbraw/zinc/66/27/85/1069662785.db2.gz GJYHPASZTUGAOU-YRXWBPOGSA-N 2 0 412.575 -0.016 20 0 HBADRP C[NH+]1CC[C@@](O)(CNC(=O)Cc2ccc(CC(=O)NC[C@]3(O)CC[N@@H+](C)C3)cc2)C1 ZINC000461550590 1069693688 /nfs/dbraw/zinc/69/36/88/1069693688.db2.gz WAVNCDSFRYMRAF-FGZHOGPDSA-N 2 0 418.538 -0.863 20 0 HBADRP C[NH+]1CC[C@](O)(CNC(=O)Cc2ccc(CC(=O)NC[C@]3(O)CC[N@@H+](C)C3)cc2)C1 ZINC000461550591 1069693466 /nfs/dbraw/zinc/69/34/66/1069693466.db2.gz WAVNCDSFRYMRAF-SZPZYZBQSA-N 2 0 418.538 -0.863 20 0 HBADRP C[NH+]1CC[C@](O)(CNC(=O)Cc2ccc(CC(=O)NC[C@@]3(O)CC[N@@H+](C)C3)cc2)C1 ZINC000461550592 1069693597 /nfs/dbraw/zinc/69/35/97/1069693597.db2.gz WAVNCDSFRYMRAF-VXKWHMMOSA-N 2 0 418.538 -0.863 20 0 HBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1nc(CS(C)(=O)=O)no1 ZINC000462288174 1071268749 /nfs/dbraw/zinc/26/87/49/1071268749.db2.gz GGJUSEOHABXVQF-CYBMUJFWSA-N 2 0 402.521 -0.084 20 0 HBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1nc(CS(C)(=O)=O)no1 ZINC000462288175 1071268854 /nfs/dbraw/zinc/26/88/54/1071268854.db2.gz GGJUSEOHABXVQF-ZDUSSCGKSA-N 2 0 402.521 -0.084 20 0 HBADRP CS(=O)(=O)Cc1noc(NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000462296168 1071270255 /nfs/dbraw/zinc/27/02/55/1071270255.db2.gz ZXZICTHTAPQBHG-UHFFFAOYSA-N 2 0 423.499 -0.235 20 0 HBADRP O=C(C[NH+]1CC[C@@]2(CCOC2)C1)N1CCN(C(=O)C[N@@H+]2CC[C@@]3(CCOC3)C2)CC1 ZINC000464852837 1071495284 /nfs/dbraw/zinc/49/52/84/1071495284.db2.gz ITABZZKOJMCCKG-FGZHOGPDSA-N 2 0 420.554 -0.118 20 0 HBADRP O=C(C[NH+]1CC[C@]2(CCOC2)C1)N1CCN(C(=O)C[N@@H+]2CC[C@@]3(CCOC3)C2)CC1 ZINC000464852847 1071495352 /nfs/dbraw/zinc/49/53/52/1071495352.db2.gz ITABZZKOJMCCKG-SZPZYZBQSA-N 2 0 420.554 -0.118 20 0 HBADRP O=C(C[NH+]1CC[C@]2(CCOC2)C1)N1CCN(C(=O)C[N@@H+]2CC[C@]3(CCOC3)C2)CC1 ZINC000464852851 1071495413 /nfs/dbraw/zinc/49/54/13/1071495413.db2.gz ITABZZKOJMCCKG-VXKWHMMOSA-N 2 0 420.554 -0.118 20 0 HBADRP Cn1c2c(ccn2CC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c(=O)n(C)c1=O ZINC000465123830 1071515776 /nfs/dbraw/zinc/51/57/76/1071515776.db2.gz VDHAFHBWSLPYJV-UHFFFAOYSA-N 2 0 406.531 -0.229 20 0 HBADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)Cn1ccc2c1n(C)c(=O)n(C)c2=O ZINC000465123971 1071515913 /nfs/dbraw/zinc/51/59/13/1071515913.db2.gz UIZDLLPBZQIIIG-UHFFFAOYSA-N 2 0 404.515 -0.477 20 0 HBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cn1ccc2c1n(C)c(=O)n(C)c2=O ZINC000465179414 1071522216 /nfs/dbraw/zinc/52/22/16/1071522216.db2.gz YBKSQYDNLUFCQT-INIZCTEOSA-N 2 0 418.542 -0.087 20 0 HBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cn1ccc2c1n(C)c(=O)n(C)c2=O ZINC000465179415 1071522450 /nfs/dbraw/zinc/52/24/50/1071522450.db2.gz YBKSQYDNLUFCQT-MRXNPFEDSA-N 2 0 418.542 -0.087 20 0 HBADRP C[C@](O)(CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)CN1CCOCC1 ZINC000465819000 1069181386 /nfs/dbraw/zinc/18/13/86/1069181386.db2.gz VPNLCDBPENYAQV-NRFANRHFSA-N 2 0 420.558 -0.024 20 0 HBADRP C[C@@](O)(CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)CN1CCOCC1 ZINC000465819003 1069181502 /nfs/dbraw/zinc/18/15/02/1069181502.db2.gz VPNLCDBPENYAQV-OAQYLSRUSA-N 2 0 420.558 -0.024 20 0 HBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000465948712 1069225618 /nfs/dbraw/zinc/22/56/18/1069225618.db2.gz DIOBMKMXZJDGOH-DLBZAZTESA-N 2 0 410.563 -0.184 20 0 HBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000465948772 1069225906 /nfs/dbraw/zinc/22/59/06/1069225906.db2.gz DIOBMKMXZJDGOH-IAGOWNOFSA-N 2 0 410.563 -0.184 20 0 HBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000465948776 1069225521 /nfs/dbraw/zinc/22/55/21/1069225521.db2.gz DIOBMKMXZJDGOH-IRXDYDNUSA-N 2 0 410.563 -0.184 20 0 HBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000465948779 1069225985 /nfs/dbraw/zinc/22/59/85/1069225985.db2.gz DIOBMKMXZJDGOH-SJORKVTESA-N 2 0 410.563 -0.184 20 0 HBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000465948793 1069225942 /nfs/dbraw/zinc/22/59/42/1069225942.db2.gz CFQZFCIYAHJGLT-KRWDZBQOSA-N 2 0 410.563 -0.231 20 0 HBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000465948804 1069225698 /nfs/dbraw/zinc/22/56/98/1069225698.db2.gz CFQZFCIYAHJGLT-QGZVFWFLSA-N 2 0 410.563 -0.231 20 0 HBADRP CN(CCCNC(=O)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)S(C)(=O)=O ZINC000466924327 1068992110 /nfs/dbraw/zinc/99/21/10/1068992110.db2.gz QGJARUPOVXSGLB-UHFFFAOYSA-N 2 0 404.577 -0.039 20 0 HBADRP CN(C)C(=O)CN1CCN(C(=O)C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)CC1 ZINC000466928102 1071967971 /nfs/dbraw/zinc/96/79/71/1071967971.db2.gz YXNAECDFXDZLNE-UHFFFAOYSA-N 2 0 409.575 -0.204 20 0 HBADRP C[NH+](C)CCCN(C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000467639396 1072020061 /nfs/dbraw/zinc/02/00/61/1072020061.db2.gz VWXMVRRWNVTSOU-CVEARBPZSA-N 2 0 402.561 -0.636 20 0 HBADRP C[NH+](C)CCCN(C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000467639402 1072020589 /nfs/dbraw/zinc/02/05/89/1072020589.db2.gz VWXMVRRWNVTSOU-HOTGVXAUSA-N 2 0 402.561 -0.636 20 0 HBADRP C[NH+](C)CCCN(C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000467639404 1072020356 /nfs/dbraw/zinc/02/03/56/1072020356.db2.gz VWXMVRRWNVTSOU-HZPDHXFCSA-N 2 0 402.561 -0.636 20 0 HBADRP C[NH+](C)CCCN(C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000467639406 1072050025 /nfs/dbraw/zinc/05/00/25/1072050025.db2.gz VWXMVRRWNVTSOU-JKSUJKDBSA-N 2 0 402.561 -0.636 20 0 HBADRP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000467703849 1072023826 /nfs/dbraw/zinc/02/38/26/1072023826.db2.gz ZDKMCTRLLBXAHP-UHFFFAOYSA-N 2 0 418.542 -0.304 20 0 HBADRP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000467706501 1072024568 /nfs/dbraw/zinc/02/45/68/1072024568.db2.gz XFOAWFRFWYDSQW-UHFFFAOYSA-N 2 0 418.542 -0.304 20 0 HBADRP CNc1nc(N2CC[NH+](CC(C)(C)O)CC2)nc(N2CC[NH+](CC(C)(C)O)CC2)n1 ZINC000467781037 1072027084 /nfs/dbraw/zinc/02/70/84/1072027084.db2.gz ZCDDYWJLHIJQJL-UHFFFAOYSA-N 2 0 422.578 -0.879 20 0 HBADRP CNc1nc(NCC2([NH+](C)C)CCOCC2)nc(NCC2([NH+](C)C)CCOCC2)n1 ZINC000467786594 1072027511 /nfs/dbraw/zinc/02/75/11/1072027511.db2.gz YLCRTLSVWLMYSK-UHFFFAOYSA-N 2 0 422.578 -0.776 20 0 HBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](C)C2CCN(S(C)(=O)=O)CC2)C1 ZINC000468812150 1072095505 /nfs/dbraw/zinc/09/55/05/1072095505.db2.gz DAYKXLZVOWVBQR-KRWDZBQOSA-N 2 0 404.577 -0.185 20 0 HBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)C2CCN(S(C)(=O)=O)CC2)C1 ZINC000468812234 1069187006 /nfs/dbraw/zinc/18/70/06/1069187006.db2.gz DAYKXLZVOWVBQR-QGZVFWFLSA-N 2 0 404.577 -0.185 20 0 HBADRP COCC[NH+]1CC[C@H](NC(=O)c2cc(C(=O)N[C@@H]3CC[N@@H+](CCOC)C3)ccn2)C1 ZINC000468870126 1072098408 /nfs/dbraw/zinc/09/84/08/1072098408.db2.gz FKQIRIXOWBNAEU-MSOLQXFVSA-N 2 0 419.526 -0.017 20 0 HBADRP COCC[NH+]1CC[C@@H](NC(=O)c2cc(C(=O)N[C@@H]3CC[N@@H+](CCOC)C3)ccn2)C1 ZINC000468870220 1072098262 /nfs/dbraw/zinc/09/82/62/1072098262.db2.gz FKQIRIXOWBNAEU-QZTJIDSGSA-N 2 0 419.526 -0.017 20 0 HBADRP COCC[NH+]1CC[C@@H](NC(=O)c2cc(C(=O)N[C@H]3CC[N@@H+](CCOC)C3)ccn2)C1 ZINC000468870672 1072098539 /nfs/dbraw/zinc/09/85/39/1072098539.db2.gz FKQIRIXOWBNAEU-ZWKOTPCHSA-N 2 0 419.526 -0.017 20 0 HBADRP CN1CCN(C(=O)Cn2cc(NC(=O)[C@H]3CC(=O)N(CC[NH+](C)C)C3)cn2)CC1 ZINC000469099184 1072109457 /nfs/dbraw/zinc/10/94/57/1072109457.db2.gz XCMWRIQIYYPHFQ-HNNXBMFYSA-N 2 0 405.503 -0.994 20 0 HBADRP CN1CCN(C(=O)Cn2cc(NC(=O)[C@@H]3CC(=O)N(CC[NH+](C)C)C3)cn2)CC1 ZINC000469099364 1072109463 /nfs/dbraw/zinc/10/94/63/1072109463.db2.gz XCMWRIQIYYPHFQ-OAHLLOKOSA-N 2 0 405.503 -0.994 20 0 HBADRP C[NH+](C)CCN1C[C@H](C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)CC1=O ZINC000469246963 1072115125 /nfs/dbraw/zinc/11/51/25/1072115125.db2.gz UGQJLCHDRKYRRD-GOSISDBHSA-N 2 0 417.558 -0.095 20 0 HBADRP C[NH+](C)CCN1C[C@@H](C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)CC1=O ZINC000469246971 1072115194 /nfs/dbraw/zinc/11/51/94/1072115194.db2.gz UGQJLCHDRKYRRD-SFHVURJKSA-N 2 0 417.558 -0.095 20 0 HBADRP C[C@H](CO)[NH+]1CCCN(C(=O)CCCC(=O)N2CCC[N@@H+]([C@@H](C)CO)CC2)CC1 ZINC000470093582 1069300902 /nfs/dbraw/zinc/30/09/02/1069300902.db2.gz ZJCAAAXZYSAWSB-KDURUIRLSA-N 2 0 412.575 -0.013 20 0 HBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000470379489 1071463015 /nfs/dbraw/zinc/46/30/15/1071463015.db2.gz MGYIKGAZLRAPEJ-QGZVFWFLSA-N 2 0 403.593 -0.562 20 0 HBADRP C[C@H](CNC(=O)C1(C(=O)NC[C@H](C)N2CC[NH+](C)CC2)CCC1)N1CC[NH+](C)CC1 ZINC000474094528 1071081987 /nfs/dbraw/zinc/08/19/87/1071081987.db2.gz JXDVGCJNQGJYKG-KDURUIRLSA-N 2 0 422.618 -0.339 20 0 HBADRP C[C@@H](CNC(=O)C1(C(=O)NC[C@H](C)N2CC[NH+](C)CC2)CCC1)N1CC[NH+](C)CC1 ZINC000474094529 1071082161 /nfs/dbraw/zinc/08/21/61/1071082161.db2.gz JXDVGCJNQGJYKG-OALUTQOASA-N 2 0 422.618 -0.339 20 0 HBADRP C[C@H](CNC(=O)C1(C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)CCC1)N1CC[NH+](C)CC1 ZINC000474094530 1071082216 /nfs/dbraw/zinc/08/22/16/1071082216.db2.gz JXDVGCJNQGJYKG-RTBURBONSA-N 2 0 422.618 -0.339 20 0 HBADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000474572659 1071138806 /nfs/dbraw/zinc/13/88/06/1071138806.db2.gz DFZMWRCCJFSMTR-UHFFFAOYSA-N 2 0 400.549 -0.544 20 0 HBADRP C[C@H](O)C[NH+]1CCN(C(=O)CCCC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)[C@@H](C)C1 ZINC000476828594 1069500398 /nfs/dbraw/zinc/50/03/98/1069500398.db2.gz NPBDDDXDWIJCKJ-VJANTYMQSA-N 2 0 412.575 -0.016 20 0 HBADRP C[C@H](O)C[NH+]1CCN(C(=O)CCCC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)[C@H](C)C1 ZINC000476828595 1069501019 /nfs/dbraw/zinc/50/10/19/1069501019.db2.gz NPBDDDXDWIJCKJ-YRXWBPOGSA-N 2 0 412.575 -0.016 20 0 HBADRP Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N(CC[NH+](C)C)C3CC[NH+](C)CC3)cnc21 ZINC000477143390 1069540176 /nfs/dbraw/zinc/54/01/76/1069540176.db2.gz JDRCAIFUUYYQSB-UHFFFAOYSA-N 2 0 424.527 -0.319 20 0 HBADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000477611235 1069591975 /nfs/dbraw/zinc/59/19/75/1069591975.db2.gz BMKXHXIJOUNECI-IBGZPJMESA-N 2 0 409.575 -0.158 20 0 HBADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000477611236 1069592080 /nfs/dbraw/zinc/59/20/80/1069592080.db2.gz BMKXHXIJOUNECI-LJQANCHMSA-N 2 0 409.575 -0.158 20 0 HBADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CCN(c3cc[nH+]cc3OC)CC2)CC1 ZINC000477625920 1069593181 /nfs/dbraw/zinc/59/31/81/1069593181.db2.gz JTTAJMDUUJSKMO-UHFFFAOYSA-N 2 0 405.499 -0.034 20 0 HBADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CCN(c3cc(OC)cc[nH+]3)CC2)CC1 ZINC000477638404 1069595001 /nfs/dbraw/zinc/59/50/01/1069595001.db2.gz CUITVSUNPJTVRZ-UHFFFAOYSA-N 2 0 405.499 -0.034 20 0 HBADRP COCC[NH+]1CCC(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000477645738 1069595497 /nfs/dbraw/zinc/59/54/97/1069595497.db2.gz NUPDBFFBIWMSMV-KRWDZBQOSA-N 2 0 411.547 -0.728 20 0 HBADRP COCC[NH+]1CCC(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000477645739 1069595399 /nfs/dbraw/zinc/59/53/99/1069595399.db2.gz NUPDBFFBIWMSMV-QGZVFWFLSA-N 2 0 411.547 -0.728 20 0 HBADRP COCC[NH+]1CCC(NC(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)CC1 ZINC000477648119 1069595563 /nfs/dbraw/zinc/59/55/63/1069595563.db2.gz ABTMZDNYDFLFDM-UHFFFAOYSA-N 2 0 418.542 -0.323 20 0 HBADRP O=C(Cn1nc(C(=O)NCC[N@H+]2CC=CCC2)ccc1=O)NCC[NH+]1CC=CCC1 ZINC000477654959 1069596235 /nfs/dbraw/zinc/59/62/35/1069596235.db2.gz XKUCHHDWKFHCAM-UHFFFAOYSA-N 2 0 414.510 -0.387 20 0 HBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC2CC[NH+](CCOC)CC2)CC1 ZINC000477674686 1069598192 /nfs/dbraw/zinc/59/81/92/1069598192.db2.gz DZMFXXORMSWHJA-UHFFFAOYSA-N 2 0 411.547 -0.774 20 0 HBADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)CC1 ZINC000477676154 1069598077 /nfs/dbraw/zinc/59/80/77/1069598077.db2.gz KEZRCBMCNKRXPJ-KRWDZBQOSA-N 2 0 409.575 -0.160 20 0 HBADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)CC1 ZINC000477676160 1069598213 /nfs/dbraw/zinc/59/82/13/1069598213.db2.gz KEZRCBMCNKRXPJ-QGZVFWFLSA-N 2 0 409.575 -0.160 20 0 HBADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)CC1 ZINC000477683603 1069597670 /nfs/dbraw/zinc/59/76/70/1069597670.db2.gz PLYNOQWDFJDJQL-YOFSQIOKSA-N 2 0 421.586 -0.017 20 0 HBADRP CCC[NH+]1CCC(CNC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000477727325 1069599200 /nfs/dbraw/zinc/59/92/00/1069599200.db2.gz OMJBJTPCXXTWRR-UHFFFAOYSA-N 2 0 407.559 -0.009 20 0 HBADRP CCC[NH+]1CCC(CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000477728506 1069599418 /nfs/dbraw/zinc/59/94/18/1069599418.db2.gz RKNLWDQLZZNBKU-GOSISDBHSA-N 2 0 407.559 -0.010 20 0 HBADRP CCC[NH+]1CCC(CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000477728507 1069599254 /nfs/dbraw/zinc/59/92/54/1069599254.db2.gz RKNLWDQLZZNBKU-SFHVURJKSA-N 2 0 407.559 -0.010 20 0 HBADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000477892918 1069770712 /nfs/dbraw/zinc/77/07/12/1069770712.db2.gz MKYKVWOFPUDGEH-INIZCTEOSA-N 2 0 421.546 -0.120 20 0 HBADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000477892926 1069770861 /nfs/dbraw/zinc/77/08/61/1069770861.db2.gz MKYKVWOFPUDGEH-MRXNPFEDSA-N 2 0 421.546 -0.120 20 0 HBADRP C[C@H](CNC(=O)[C@H](C)[C@H](C)C(=O)NC[C@H](C)N1CC[NH+](C)CC1)N1CC[NH+](C)CC1 ZINC000479080198 1069942977 /nfs/dbraw/zinc/94/29/77/1069942977.db2.gz VEKNZGALZOPMIR-FGYAAKKASA-N 2 0 424.634 -0.237 20 0 HBADRP C[C@@H](C(=O)NC[C@H](C)N1CC[NH+](C)CC1)[C@H](C)C(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000479080199 1069942802 /nfs/dbraw/zinc/94/28/02/1069942802.db2.gz VEKNZGALZOPMIR-LWYYNNOASA-N 2 0 424.634 -0.237 20 0 HBADRP C[C@@H](CNC(=O)[C@@H](C)[C@H](C)C(=O)NC[C@H](C)N1CC[NH+](C)CC1)N1CC[NH+](C)CC1 ZINC000479080200 1069942659 /nfs/dbraw/zinc/94/26/59/1069942659.db2.gz VEKNZGALZOPMIR-MUGJNUQGSA-N 2 0 424.634 -0.237 20 0 HBADRP C[C@H](CNC(=O)[C@@H](C)[C@H](C)C(=O)NC[C@H](C)N1CC[NH+](C)CC1)N1CC[NH+](C)CC1 ZINC000479080202 1069942983 /nfs/dbraw/zinc/94/29/83/1069942983.db2.gz VEKNZGALZOPMIR-YRPNKDGESA-N 2 0 424.634 -0.237 20 0 HBADRP C[N@H+](CCNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1)Cc1ccccc1 ZINC000479094337 1069940503 /nfs/dbraw/zinc/94/05/03/1069940503.db2.gz FGDPARIDUOGBPM-IBGZPJMESA-N 2 0 415.538 0.000 20 0 HBADRP C[N@H+](CCNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1)Cc1ccccc1 ZINC000479094342 1069940752 /nfs/dbraw/zinc/94/07/52/1069940752.db2.gz FGDPARIDUOGBPM-LJQANCHMSA-N 2 0 415.538 0.000 20 0 HBADRP Cc1nc(NCC2CC[NH+](CCO)CC2)nc(NCC2CC[NH+](CCO)CC2)n1 ZINC000480032383 1070058751 /nfs/dbraw/zinc/05/87/51/1070058751.db2.gz WMWGETZKYDWCRS-UHFFFAOYSA-N 2 0 407.563 -0.744 20 0 HBADRP Cc1nc(NC[C@@H](C)N2CC[NH+](C)CC2)nc(NC[C@H](C)N2CC[NH+](C)CC2)n1 ZINC000480033636 1070056622 /nfs/dbraw/zinc/05/66/22/1070056622.db2.gz HXQWINAECAZWRN-CALCHBBNSA-N 2 0 405.595 -0.881 20 0 HBADRP Cc1nc(NC[C@@H](C)N2CC[NH+](C)CC2)nc(NC[C@@H](C)N2CC[NH+](C)CC2)n1 ZINC000480033637 1070056434 /nfs/dbraw/zinc/05/64/34/1070056434.db2.gz HXQWINAECAZWRN-IAGOWNOFSA-N 2 0 405.595 -0.881 20 0 HBADRP Cc1nc(NC[C@H](C)N2CC[NH+](C)CC2)nc(NC[C@H](C)N2CC[NH+](C)CC2)n1 ZINC000480033638 1070056530 /nfs/dbraw/zinc/05/65/30/1070056530.db2.gz HXQWINAECAZWRN-IRXDYDNUSA-N 2 0 405.595 -0.881 20 0 HBADRP Cc1nc(N2CC[NH+](CC(C)(C)O)CC2)nc(N2CC[NH+](CC(C)(C)O)CC2)n1 ZINC000480038313 1070056551 /nfs/dbraw/zinc/05/65/51/1070056551.db2.gz KCUJWWBIQWRNTI-UHFFFAOYSA-N 2 0 407.563 -0.034 20 0 HBADRP CC[C@H](CO)[NH+]1CCN(c2nc(C)nc(N3CC[NH+]([C@@H](CC)CO)CC3)n2)CC1 ZINC000480112927 1070066231 /nfs/dbraw/zinc/06/62/31/1070066231.db2.gz BVIFKKWHBFMCDC-HDICACEKSA-N 2 0 407.563 -0.034 20 0 HBADRP CC[C@H](CO)[NH+]1CCN(c2nc(C)nc(N3CC[NH+]([C@H](CC)CO)CC3)n2)CC1 ZINC000480112930 1070066441 /nfs/dbraw/zinc/06/64/41/1070066441.db2.gz BVIFKKWHBFMCDC-QZTJIDSGSA-N 2 0 407.563 -0.034 20 0 HBADRP CC[C@@H](CO)[NH+]1CCN(c2nc(C)nc(N3CC[NH+]([C@@H](CC)CO)CC3)n2)CC1 ZINC000480112932 1070066543 /nfs/dbraw/zinc/06/65/43/1070066543.db2.gz BVIFKKWHBFMCDC-ROUUACIJSA-N 2 0 407.563 -0.034 20 0 HBADRP C[C@H](O)C[NH+]1CCN(c2cc(N3CC[NH+](C[C@H](C)O)CC3)n3ncnc3n2)CC1 ZINC000480193646 1069331555 /nfs/dbraw/zinc/33/15/55/1069331555.db2.gz GFUMCUQXUGTDCQ-HOTGVXAUSA-N 2 0 404.519 -0.870 20 0 HBADRP CNc1nc(N2CC[NH+](C[C@H](C)O)C[C@@H]2C)nc(N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)n1 ZINC000480194691 1070077772 /nfs/dbraw/zinc/07/77/72/1070077772.db2.gz IHRUNAXPURCUSR-QAETUUGQSA-N 2 0 422.578 -0.882 20 0 HBADRP C[C@@H]1CN(c2cc(N3CC[NH+](CCO)[C@@H](C)C3)n3ncnc3n2)CC[N@@H+]1CCO ZINC000480201021 1069331681 /nfs/dbraw/zinc/33/16/81/1069331681.db2.gz RWMQKJSLLXMECG-CVEARBPZSA-N 2 0 404.519 -0.870 20 0 HBADRP C[C@H]1CN(c2cc(N3CC[N@H+](CCO)[C@@H](C)C3)nc3ncnn32)CC[NH+]1CCO ZINC000480201022 1069332302 /nfs/dbraw/zinc/33/23/02/1069332302.db2.gz RWMQKJSLLXMECG-HOTGVXAUSA-N 2 0 404.519 -0.870 20 0 HBADRP C[C@@H]1CN(c2cc(N3CC[N@H+](CCO)[C@H](C)C3)nc3ncnn32)CC[NH+]1CCO ZINC000480201023 1069332052 /nfs/dbraw/zinc/33/20/52/1069332052.db2.gz RWMQKJSLLXMECG-HZPDHXFCSA-N 2 0 404.519 -0.870 20 0 HBADRP C[C@@H]1CN(c2cc(N3CC[N@H+](CCO)[C@@H](C)C3)nc3ncnn32)CC[NH+]1CCO ZINC000480201024 1069331921 /nfs/dbraw/zinc/33/19/21/1069331921.db2.gz RWMQKJSLLXMECG-JKSUJKDBSA-N 2 0 404.519 -0.870 20 0 HBADRP Cc1nc(N2CC[NH+](C[C@@H](C)O)C[C@@H]2C)nc(N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)n1 ZINC000480203692 1070080339 /nfs/dbraw/zinc/08/03/39/1070080339.db2.gz WHDZOOGNUJJXRF-LUKYLMHMSA-N 2 0 407.563 -0.037 20 0 HBADRP Cc1nc(N2CC[NH+](C[C@H](C)O)C[C@@H]2C)nc(N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)n1 ZINC000480203697 1070080036 /nfs/dbraw/zinc/08/00/36/1070080036.db2.gz WHDZOOGNUJJXRF-QAETUUGQSA-N 2 0 407.563 -0.037 20 0 HBADRP Cc1nc(N2CC[NH+](C[C@@H](C)O)C[C@H]2C)nc(N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)n1 ZINC000480203698 1070080212 /nfs/dbraw/zinc/08/02/12/1070080212.db2.gz WHDZOOGNUJJXRF-WNKDZCFJSA-N 2 0 407.563 -0.037 20 0 HBADRP Cc1nc(N2CC[NH+](C[C@H](C)O)C[C@H]2C)nc(N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)n1 ZINC000480203700 1070079842 /nfs/dbraw/zinc/07/98/42/1070079842.db2.gz WHDZOOGNUJJXRF-YVSFHVDLSA-N 2 0 407.563 -0.037 20 0 HBADRP C[C@@H](O)C[NH+]1CCN(c2cc(N3CC[NH+](C[C@@H](C)O)CC3)n3ncnc3n2)CC1 ZINC000480323816 1069333580 /nfs/dbraw/zinc/33/35/80/1069333580.db2.gz GFUMCUQXUGTDCQ-HZPDHXFCSA-N 2 0 404.519 -0.870 20 0 HBADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000480531167 1070115122 /nfs/dbraw/zinc/11/51/22/1070115122.db2.gz UMIKLKMIUKYFRW-INIZCTEOSA-N 2 0 414.576 -0.073 20 0 HBADRP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000480531182 1070115297 /nfs/dbraw/zinc/11/52/97/1070115297.db2.gz UMIKLKMIUKYFRW-MRXNPFEDSA-N 2 0 414.576 -0.073 20 0 HBADRP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000480914249 1070167833 /nfs/dbraw/zinc/16/78/33/1070167833.db2.gz VYNCPRZDLOBDFW-UHFFFAOYSA-N 2 0 424.633 -0.054 20 0 HBADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000481131395 1070185361 /nfs/dbraw/zinc/18/53/61/1070185361.db2.gz NMQMPVOIDUVZHW-FGTMMUONSA-N 2 0 407.559 -0.012 20 0 HBADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000481131396 1070185491 /nfs/dbraw/zinc/18/54/91/1070185491.db2.gz NMQMPVOIDUVZHW-KURKYZTESA-N 2 0 407.559 -0.012 20 0 HBADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000481131397 1070185547 /nfs/dbraw/zinc/18/55/47/1070185547.db2.gz NMQMPVOIDUVZHW-KZNAEPCWSA-N 2 0 407.559 -0.012 20 0 HBADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000481131398 1070185316 /nfs/dbraw/zinc/18/53/16/1070185316.db2.gz NMQMPVOIDUVZHW-SQNIBIBYSA-N 2 0 407.559 -0.012 20 0 HBADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000481262970 1070200445 /nfs/dbraw/zinc/20/04/45/1070200445.db2.gz WDEJODWFPQYIED-MSOLQXFVSA-N 2 0 407.559 -0.010 20 0 HBADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000481262975 1070200296 /nfs/dbraw/zinc/20/02/96/1070200296.db2.gz WDEJODWFPQYIED-QZTJIDSGSA-N 2 0 407.559 -0.010 20 0 HBADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000481262978 1070200396 /nfs/dbraw/zinc/20/03/96/1070200396.db2.gz WDEJODWFPQYIED-ROUUACIJSA-N 2 0 407.559 -0.010 20 0 HBADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000481262983 1070200542 /nfs/dbraw/zinc/20/05/42/1070200542.db2.gz WDEJODWFPQYIED-ZWKOTPCHSA-N 2 0 407.559 -0.010 20 0 HBADRP C[C@@H]1C[C@@H](C(=O)NCCN2CC[NH+](C)CC2)[C@@H](C(=O)NCCN2CC[NH+](C)CC2)C1 ZINC000481345008 1070208317 /nfs/dbraw/zinc/20/83/17/1070208317.db2.gz VQBACHOXYQVYBC-OWZKRDHZSA-N 2 0 422.618 -0.624 20 0 HBADRP CC1C[C@H](C(=O)NCCN2CC[NH+](C)CC2)[C@@H](C(=O)NCCN2CC[NH+](C)CC2)C1 ZINC000481345887 1070208101 /nfs/dbraw/zinc/20/81/01/1070208101.db2.gz VQBACHOXYQVYBC-PMACEKPBSA-N 2 0 422.618 -0.624 20 0 HBADRP CC1C[C@@H](C(=O)NCCN2CC[NH+](C)CC2)[C@H](C(=O)NCCN2CC[NH+](C)CC2)C1 ZINC000481345888 1070208327 /nfs/dbraw/zinc/20/83/27/1070208327.db2.gz VQBACHOXYQVYBC-WOJBJXKFSA-N 2 0 422.618 -0.624 20 0 HBADRP C[C@@H]1C[C@@H](C(=O)NC[C@@](C)(O)C[NH+](C)C)[C@@H](C(=O)NC[C@](C)(O)C[NH+](C)C)C1 ZINC000481650228 1070242728 /nfs/dbraw/zinc/24/27/28/1070242728.db2.gz MHXULWYTECOCOQ-DAQCULIYSA-N 2 0 400.564 -0.494 20 0 HBADRP CC1C[C@H](C(=O)NC[C@](C)(O)C[NH+](C)C)[C@@H](C(=O)NC[C@](C)(O)C[NH+](C)C)C1 ZINC000481650229 1070242612 /nfs/dbraw/zinc/24/26/12/1070242612.db2.gz MHXULWYTECOCOQ-FVCZOJIISA-N 2 0 400.564 -0.494 20 0 HBADRP C[C@@H]1C[C@@H](C(=O)NC[C@](C)(O)C[NH+](C)C)[C@@H](C(=O)NC[C@](C)(O)C[NH+](C)C)C1 ZINC000481650230 1070242589 /nfs/dbraw/zinc/24/25/89/1070242589.db2.gz MHXULWYTECOCOQ-HGDKKCICSA-N 2 0 400.564 -0.494 20 0 HBADRP C[C@@H]1C[C@H](C(=O)NC[C@@](C)(O)C[NH+](C)C)[C@@H](C(=O)NC[C@](C)(O)C[NH+](C)C)C1 ZINC000481650231 1070242735 /nfs/dbraw/zinc/24/27/35/1070242735.db2.gz MHXULWYTECOCOQ-IEYYFSCXSA-N 2 0 400.564 -0.494 20 0 HBADRP C[C@@H]1C[C@@H](C(=O)NCC2(O)CC[NH+](C)CC2)[C@@H](C(=O)NCC2(O)CC[NH+](C)CC2)C1 ZINC000481785554 1070265106 /nfs/dbraw/zinc/26/51/06/1070265106.db2.gz JFVIWSRBKOMMEN-NNZMDNLPSA-N 2 0 424.586 -0.206 20 0 HBADRP CC1C[C@@H](C(=O)NCC2(O)CC[NH+](C)CC2)[C@H](C(=O)NCC2(O)CC[NH+](C)CC2)C1 ZINC000481785555 1070265290 /nfs/dbraw/zinc/26/52/90/1070265290.db2.gz JFVIWSRBKOMMEN-QZTJIDSGSA-N 2 0 424.586 -0.206 20 0 HBADRP CC1C[C@H](C(=O)NCC2(O)CC[NH+](C)CC2)[C@@H](C(=O)NCC2(O)CC[NH+](C)CC2)C1 ZINC000481785571 1070265074 /nfs/dbraw/zinc/26/50/74/1070265074.db2.gz JFVIWSRBKOMMEN-ROUUACIJSA-N 2 0 424.586 -0.206 20 0 HBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000483509757 1070338837 /nfs/dbraw/zinc/33/88/37/1070338837.db2.gz XIVUAZMKEJUMSK-MOPGFXCFSA-N 2 0 409.575 -0.302 20 0 HBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000483509759 1070339024 /nfs/dbraw/zinc/33/90/24/1070339024.db2.gz XIVUAZMKEJUMSK-OALUTQOASA-N 2 0 409.575 -0.302 20 0 HBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000483510130 1070339369 /nfs/dbraw/zinc/33/93/69/1070339369.db2.gz XIVUAZMKEJUMSK-RBUKOAKNSA-N 2 0 409.575 -0.302 20 0 HBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000483510132 1070339817 /nfs/dbraw/zinc/33/98/17/1070339817.db2.gz XIVUAZMKEJUMSK-RTBURBONSA-N 2 0 409.575 -0.302 20 0 HBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC000484377472 1069554223 /nfs/dbraw/zinc/55/42/23/1069554223.db2.gz ZOJBXIGCNXZAHM-INIZCTEOSA-N 2 0 411.466 -0.029 20 0 HBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC000484377473 1069554357 /nfs/dbraw/zinc/55/43/57/1069554357.db2.gz ZOJBXIGCNXZAHM-MRXNPFEDSA-N 2 0 411.466 -0.029 20 0 HBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000485496925 1070456403 /nfs/dbraw/zinc/45/64/03/1070456403.db2.gz VZAAZZOYHMDPJD-MSOLQXFVSA-N 2 0 422.574 -0.123 20 0 HBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000485496958 1070456365 /nfs/dbraw/zinc/45/63/65/1070456365.db2.gz VZAAZZOYHMDPJD-QZTJIDSGSA-N 2 0 422.574 -0.123 20 0 HBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000485496964 1070456586 /nfs/dbraw/zinc/45/65/86/1070456586.db2.gz VZAAZZOYHMDPJD-ROUUACIJSA-N 2 0 422.574 -0.123 20 0 HBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000485496971 1070456713 /nfs/dbraw/zinc/45/67/13/1070456713.db2.gz VZAAZZOYHMDPJD-ZWKOTPCHSA-N 2 0 422.574 -0.123 20 0 HBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCCCC[NH+]2CCN(CCO)CC2)CC1 ZINC000485756883 1070472546 /nfs/dbraw/zinc/47/25/46/1070472546.db2.gz LQWWIWQTRFJEOI-IBGZPJMESA-N 2 0 424.590 -0.676 20 0 HBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCCC[NH+]2CCN(CCO)CC2)CC1 ZINC000485756884 1070472653 /nfs/dbraw/zinc/47/26/53/1070472653.db2.gz LQWWIWQTRFJEOI-LJQANCHMSA-N 2 0 424.590 -0.676 20 0 HBADRP COCCNc1nc(NCC2CC[NH+](C)CC2)nc(NCC2CC[NH+](C)CC2)n1 ZINC000485841855 1070475687 /nfs/dbraw/zinc/47/56/87/1070475687.db2.gz MGRWTHCMGFONHO-UHFFFAOYSA-N 2 0 406.579 -0.297 20 0 HBADRP C[NH+]1C[C@H]2CN(c3nc(N4C[C@@H]5C[N@H+](C)C[C@@H]5C4)nc(N4CCOCC4)n3)C[C@H]2C1 ZINC000486027221 1070485990 /nfs/dbraw/zinc/48/59/90/1070485990.db2.gz ITMQWKNPFJHSOC-USTZCAOPSA-N 2 0 414.558 -0.296 20 0 HBADRP Cn1cc(S(N)(=O)=O)cc1CC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000486047030 1070486325 /nfs/dbraw/zinc/48/63/25/1070486325.db2.gz JPCKIIAVHYLVAR-UHFFFAOYSA-N 2 0 420.539 -0.062 20 0 HBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000486111651 1070489351 /nfs/dbraw/zinc/48/93/51/1070489351.db2.gz VREXJYOFIYNMOK-DLBZAZTESA-N 2 0 408.547 -0.478 20 0 HBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000486111652 1070489531 /nfs/dbraw/zinc/48/95/31/1070489531.db2.gz VREXJYOFIYNMOK-IAGOWNOFSA-N 2 0 408.547 -0.478 20 0 HBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000486111653 1070489667 /nfs/dbraw/zinc/48/96/67/1070489667.db2.gz VREXJYOFIYNMOK-IRXDYDNUSA-N 2 0 408.547 -0.478 20 0 HBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000486111654 1070489628 /nfs/dbraw/zinc/48/96/28/1070489628.db2.gz VREXJYOFIYNMOK-SJORKVTESA-N 2 0 408.547 -0.478 20 0 HBADRP COCC[NH+]1CC[C@H](NC(=O)c2ccc(C(=O)N[C@@H]3CC[N@@H+](CCOC)C3)cn2)C1 ZINC000486235980 1070494526 /nfs/dbraw/zinc/49/45/26/1070494526.db2.gz SOVLBHHMPIPXOO-MSOLQXFVSA-N 2 0 419.526 -0.017 20 0 HBADRP COCC[NH+]1CC[C@@H](NC(=O)c2ccc(C(=O)N[C@@H]3CC[N@@H+](CCOC)C3)cn2)C1 ZINC000486235981 1070494668 /nfs/dbraw/zinc/49/46/68/1070494668.db2.gz SOVLBHHMPIPXOO-QZTJIDSGSA-N 2 0 419.526 -0.017 20 0 HBADRP COCC[NH+]1CC[C@H](NC(=O)c2ccc(C(=O)N[C@H]3CC[N@@H+](CCOC)C3)cn2)C1 ZINC000486235982 1070494553 /nfs/dbraw/zinc/49/45/53/1070494553.db2.gz SOVLBHHMPIPXOO-ROUUACIJSA-N 2 0 419.526 -0.017 20 0 HBADRP COCC[NH+]1CC[C@@H](NC(=O)c2ccc(C(=O)N[C@H]3CC[N@@H+](CCOC)C3)cn2)C1 ZINC000486235983 1070494441 /nfs/dbraw/zinc/49/44/41/1070494441.db2.gz SOVLBHHMPIPXOO-ZWKOTPCHSA-N 2 0 419.526 -0.017 20 0 HBADRP C[NH+]1CCC[C@H]1C(=O)N1CCN(CCN2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC000486247729 1070496307 /nfs/dbraw/zinc/49/63/07/1070496307.db2.gz ZVDCEJOSBLWPPR-BGYRXZFFSA-N 2 0 420.602 -0.537 20 0 HBADRP C[NH+]1CCC[C@H]1C(=O)N1CCN(CCN2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC000486247735 1070496512 /nfs/dbraw/zinc/49/65/12/1070496512.db2.gz ZVDCEJOSBLWPPR-PMACEKPBSA-N 2 0 420.602 -0.537 20 0 HBADRP C[NH+]1CCC[C@@H]1C(=O)N1CCN(CCN2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC000486247736 1070496449 /nfs/dbraw/zinc/49/64/49/1070496449.db2.gz ZVDCEJOSBLWPPR-WOJBJXKFSA-N 2 0 420.602 -0.537 20 0 HBADRP C[C@H]1C[NH+](C)C[C@H]1C(=O)N1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C[C@@H]1C(=O)N(C)C ZINC000486628100 1070509124 /nfs/dbraw/zinc/50/91/24/1070509124.db2.gz KONHVURQYPACSX-DISONHOPSA-N 2 0 407.559 -0.491 20 0 HBADRP C[C@H]1C[NH+](C)C[C@H]1C(=O)N1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C[C@H]1C(=O)N(C)C ZINC000486628120 1070508798 /nfs/dbraw/zinc/50/87/98/1070508798.db2.gz KONHVURQYPACSX-ICUGJSFKSA-N 2 0 407.559 -0.491 20 0 HBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2C[NH+](C)C[C@H]2C)[C@H](C(=O)N(C)C)C1 ZINC000486628126 1070509044 /nfs/dbraw/zinc/50/90/44/1070509044.db2.gz KONHVURQYPACSX-SFFUCWETSA-N 2 0 407.559 -0.491 20 0 HBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2C[NH+](C)C[C@H]2C)[C@@H](C(=O)N(C)C)C1 ZINC000486628131 1070508966 /nfs/dbraw/zinc/50/89/66/1070508966.db2.gz KONHVURQYPACSX-UYTYNIKBSA-N 2 0 407.559 -0.491 20 0 HBADRP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1CCN(C(=O)CCNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000486883539 1070521031 /nfs/dbraw/zinc/52/10/31/1070521031.db2.gz QWRRYKHOJNRFDN-BDXSIMOUSA-N 2 0 407.559 -0.441 20 0 HBADRP C[C@H]1C[NH+](C)C[C@@H]1C(=O)N1CCN(C(=O)CCNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000486883540 1070521088 /nfs/dbraw/zinc/52/10/88/1070521088.db2.gz QWRRYKHOJNRFDN-OWSLCNJRSA-N 2 0 407.559 -0.441 20 0 HBADRP C[C@H]1C[NH+](C)C[C@H]1C(=O)N1CCN(C(=O)CCNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000486883542 1070520728 /nfs/dbraw/zinc/52/07/28/1070520728.db2.gz QWRRYKHOJNRFDN-VSZNYVQBSA-N 2 0 407.559 -0.441 20 0 HBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC(=O)N1CCN(C(=O)[C@@H]2C[NH+](C)C[C@H]2C)CC1 ZINC000486883543 1070520883 /nfs/dbraw/zinc/52/08/83/1070520883.db2.gz QWRRYKHOJNRFDN-ZJPYXAASSA-N 2 0 407.559 -0.441 20 0 HBADRP C[C@H]1C[NH+](C)C[C@H]1C(=O)N(CCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C)CCN1CCOCC1 ZINC000487147692 1070533914 /nfs/dbraw/zinc/53/39/14/1070533914.db2.gz COWQMZPQHFHXFD-FUMNGEBKSA-N 2 0 423.602 -0.341 20 0 HBADRP C[C@H]1C[NH+](C)C[C@@H]1C(=O)N(CCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C)CCN1CCOCC1 ZINC000487147694 1070533760 /nfs/dbraw/zinc/53/37/60/1070533760.db2.gz COWQMZPQHFHXFD-FYQPLNBISA-N 2 0 423.602 -0.341 20 0 HBADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCN(CCN1CCOCC1)C(=O)[C@@H]1C[NH+](C)C[C@H]1C ZINC000487147695 1070533865 /nfs/dbraw/zinc/53/38/65/1070533865.db2.gz COWQMZPQHFHXFD-YSTOQKLRSA-N 2 0 423.602 -0.341 20 0 HBADRP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N(CCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C)CCN1CCOCC1 ZINC000487147696 1070533943 /nfs/dbraw/zinc/53/39/43/1070533943.db2.gz COWQMZPQHFHXFD-ZRNYENFQSA-N 2 0 423.602 -0.341 20 0 HBADRP CS(=O)(=O)N1CC(CNC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000487713598 1070548337 /nfs/dbraw/zinc/54/83/37/1070548337.db2.gz HCOMJBHYNYFTNP-UHFFFAOYSA-N 2 0 410.544 -0.216 20 0 HBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N(CCO)CCN1CCOCC1 ZINC000487923173 1069701697 /nfs/dbraw/zinc/70/16/97/1069701697.db2.gz XRPWZHZKUSCEGB-UHFFFAOYSA-N 2 0 420.558 -0.070 20 0 HBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000489173988 1070596735 /nfs/dbraw/zinc/59/67/35/1070596735.db2.gz XALFXOKBNBAGQZ-IBGZPJMESA-N 2 0 409.575 -0.301 20 0 HBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000489173990 1070596845 /nfs/dbraw/zinc/59/68/45/1070596845.db2.gz XALFXOKBNBAGQZ-LJQANCHMSA-N 2 0 409.575 -0.301 20 0 HBADRP O=C(C[NH+]1CC[C@](O)(C2CC2)C1)N1CCN(C(=O)C[N@H+]2CC[C@](O)(C3CC3)C2)CC1 ZINC000489209694 1070598144 /nfs/dbraw/zinc/59/81/44/1070598144.db2.gz SYYJHCSNIOUZTM-FGZHOGPDSA-N 2 0 420.554 -0.649 20 0 HBADRP O=C(C[NH+]1CC[C@](O)(C2CC2)C1)N1CCN(C(=O)C[N@H+]2CC[C@@](O)(C3CC3)C2)CC1 ZINC000489209696 1070598084 /nfs/dbraw/zinc/59/80/84/1070598084.db2.gz SYYJHCSNIOUZTM-SZPZYZBQSA-N 2 0 420.554 -0.649 20 0 HBADRP O=C(C[NH+]1CC[C@@](O)(C2CC2)C1)N1CCN(C(=O)C[N@H+]2CC[C@@](O)(C3CC3)C2)CC1 ZINC000489209699 1070598263 /nfs/dbraw/zinc/59/82/63/1070598263.db2.gz SYYJHCSNIOUZTM-VXKWHMMOSA-N 2 0 420.554 -0.649 20 0 HBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cn1 ZINC000490280511 1070652802 /nfs/dbraw/zinc/65/28/02/1070652802.db2.gz ZDPLMZVEQNELOH-UHFFFAOYSA-N 2 0 421.546 -0.075 20 0 HBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NCC(C)(C)[NH+]2CCCCC2)cn1 ZINC000490280925 1070652784 /nfs/dbraw/zinc/65/27/84/1070652784.db2.gz BCBYUFGKHBODLG-UHFFFAOYSA-N 2 0 421.546 -0.120 20 0 HBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NCC2([NH+](C)C)CCCC2)cn1 ZINC000490284866 1070651056 /nfs/dbraw/zinc/65/10/56/1070651056.db2.gz MCJJOTCYDZHWNJ-UHFFFAOYSA-N 2 0 407.519 -0.510 20 0 HBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NCC2([NH+](C)C)CCCCC2)cn1 ZINC000490286614 1070650986 /nfs/dbraw/zinc/65/09/86/1070650986.db2.gz PPUOCLSNVYLMFR-UHFFFAOYSA-N 2 0 421.546 -0.120 20 0 HBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC([NH+]3CCCC3)CC2)cn1 ZINC000490354771 1070655909 /nfs/dbraw/zinc/65/59/09/1070655909.db2.gz RUHAOQNDGLHCTB-UHFFFAOYSA-N 2 0 419.530 -0.414 20 0 HBADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000490358102 1070655824 /nfs/dbraw/zinc/65/58/24/1070655824.db2.gz BGGGPYDPVIGVKL-HNNXBMFYSA-N 2 0 407.519 -0.510 20 0 HBADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000490358103 1070655962 /nfs/dbraw/zinc/65/59/62/1070655962.db2.gz BGGGPYDPVIGVKL-OAHLLOKOSA-N 2 0 407.519 -0.510 20 0 HBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cn1 ZINC000490363396 1070654463 /nfs/dbraw/zinc/65/44/63/1070654463.db2.gz GZWLXJWWKJARKS-KRWDZBQOSA-N 2 0 419.530 -0.414 20 0 HBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cn1 ZINC000490363397 1070654384 /nfs/dbraw/zinc/65/43/84/1070654384.db2.gz GZWLXJWWKJARKS-QGZVFWFLSA-N 2 0 419.530 -0.414 20 0 HBADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000490388304 1070659951 /nfs/dbraw/zinc/65/99/51/1070659951.db2.gz VNTNCNWKJZJRLD-CVEARBPZSA-N 2 0 421.546 -0.264 20 0 HBADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000490388305 1070659688 /nfs/dbraw/zinc/65/96/88/1070659688.db2.gz VNTNCNWKJZJRLD-HOTGVXAUSA-N 2 0 421.546 -0.264 20 0 HBADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000490388306 1070659667 /nfs/dbraw/zinc/65/96/67/1070659667.db2.gz VNTNCNWKJZJRLD-HZPDHXFCSA-N 2 0 421.546 -0.264 20 0 HBADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000490388307 1070659832 /nfs/dbraw/zinc/65/98/32/1070659832.db2.gz VNTNCNWKJZJRLD-JKSUJKDBSA-N 2 0 421.546 -0.264 20 0 HBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC(C[NH+](C)C)CC2)cn1 ZINC000490389045 1070659937 /nfs/dbraw/zinc/65/99/37/1070659937.db2.gz DKUVQBFGAUECBX-UHFFFAOYSA-N 2 0 407.519 -0.700 20 0 HBADRP C[C@@H](CNC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)[NH+]1CCC(C)CC1 ZINC000490394451 1070656478 /nfs/dbraw/zinc/65/64/78/1070656478.db2.gz LSWQWDDJQQVYIZ-INIZCTEOSA-N 2 0 421.546 -0.264 20 0 HBADRP C[C@H](CNC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)[NH+]1CCC(C)CC1 ZINC000490394452 1070656515 /nfs/dbraw/zinc/65/65/15/1070656515.db2.gz LSWQWDDJQQVYIZ-MRXNPFEDSA-N 2 0 421.546 -0.264 20 0 HBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NCC[NH+]2CCCCCC2)cn1 ZINC000490395937 1070656528 /nfs/dbraw/zinc/65/65/28/1070656528.db2.gz RCYQUIDHCXDVNB-UHFFFAOYSA-N 2 0 407.519 -0.508 20 0 HBADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1 ZINC000490398476 1070661507 /nfs/dbraw/zinc/66/15/07/1070661507.db2.gz SNIAIFXEWXBEDR-HNNXBMFYSA-N 2 0 407.519 -0.653 20 0 HBADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1 ZINC000490398477 1070661340 /nfs/dbraw/zinc/66/13/40/1070661340.db2.gz SNIAIFXEWXBEDR-OAHLLOKOSA-N 2 0 407.519 -0.653 20 0 HBADRP C[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000490402827 1070662104 /nfs/dbraw/zinc/66/21/04/1070662104.db2.gz AVZLOKLAYDYTKO-HNNXBMFYSA-N 2 0 407.519 -0.510 20 0 HBADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000490402829 1070662049 /nfs/dbraw/zinc/66/20/49/1070662049.db2.gz AVZLOKLAYDYTKO-OAHLLOKOSA-N 2 0 407.519 -0.510 20 0 HBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)cn1 ZINC000490405552 1070662080 /nfs/dbraw/zinc/66/20/80/1070662080.db2.gz FFQNUMQRNMWQTH-UHFFFAOYSA-N 2 0 419.530 -0.414 20 0 HBADRP CC1CC[NH+](CCNC(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CC1 ZINC000490406990 1070660413 /nfs/dbraw/zinc/66/04/13/1070660413.db2.gz IFMNRWZAUZNDFP-UHFFFAOYSA-N 2 0 407.519 -0.653 20 0 HBADRP C[C@@H](CNC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)[N@@H+]1CCCC[C@H]1C ZINC000490408940 1070660514 /nfs/dbraw/zinc/66/05/14/1070660514.db2.gz OPBBXGAPTDMPDJ-CVEARBPZSA-N 2 0 421.546 -0.122 20 0 HBADRP C[C@@H](CNC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)[N@@H+]1CCCC[C@@H]1C ZINC000490408941 1070660681 /nfs/dbraw/zinc/66/06/81/1070660681.db2.gz OPBBXGAPTDMPDJ-HOTGVXAUSA-N 2 0 421.546 -0.122 20 0 HBADRP C[C@H](CNC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)[N@@H+]1CCCC[C@H]1C ZINC000490408942 1070660726 /nfs/dbraw/zinc/66/07/26/1070660726.db2.gz OPBBXGAPTDMPDJ-HZPDHXFCSA-N 2 0 421.546 -0.122 20 0 HBADRP C[C@H](CNC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)[N@@H+]1CCCC[C@@H]1C ZINC000490408943 1070660643 /nfs/dbraw/zinc/66/06/43/1070660643.db2.gz OPBBXGAPTDMPDJ-JKSUJKDBSA-N 2 0 421.546 -0.122 20 0 HBADRP C[C@@H](CNC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000490413966 1070660666 /nfs/dbraw/zinc/66/06/66/1070660666.db2.gz XDIIRJNRYYLLMV-CVEARBPZSA-N 2 0 421.546 -0.264 20 0 HBADRP C[C@@H](CNC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000490413967 1070660469 /nfs/dbraw/zinc/66/04/69/1070660469.db2.gz XDIIRJNRYYLLMV-HOTGVXAUSA-N 2 0 421.546 -0.264 20 0 HBADRP C[C@H](CNC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000490413968 1070660751 /nfs/dbraw/zinc/66/07/51/1070660751.db2.gz XDIIRJNRYYLLMV-HZPDHXFCSA-N 2 0 421.546 -0.264 20 0 HBADRP C[C@H](CNC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000490413969 1070660627 /nfs/dbraw/zinc/66/06/27/1070660627.db2.gz XDIIRJNRYYLLMV-JKSUJKDBSA-N 2 0 421.546 -0.264 20 0 HBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cn1 ZINC000490439224 1070664366 /nfs/dbraw/zinc/66/43/66/1070664366.db2.gz AOGAAJMHJIKWLB-INIZCTEOSA-N 2 0 419.530 -0.556 20 0 HBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cn1 ZINC000490439262 1070664328 /nfs/dbraw/zinc/66/43/28/1070664328.db2.gz AOGAAJMHJIKWLB-MRXNPFEDSA-N 2 0 419.530 -0.556 20 0 HBADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1 ZINC000490453226 1070662942 /nfs/dbraw/zinc/66/29/42/1070662942.db2.gz ITJIXAFRVRTZOQ-HNNXBMFYSA-N 2 0 407.519 -0.700 20 0 HBADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1 ZINC000490453227 1070662677 /nfs/dbraw/zinc/66/26/77/1070662677.db2.gz ITJIXAFRVRTZOQ-OAHLLOKOSA-N 2 0 407.519 -0.700 20 0 HBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cn1 ZINC000490466894 1070665736 /nfs/dbraw/zinc/66/57/36/1070665736.db2.gz AXGLCSHQTAWZFV-KRWDZBQOSA-N 2 0 419.530 -0.414 20 0 HBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cn1 ZINC000490466895 1070665662 /nfs/dbraw/zinc/66/56/62/1070665662.db2.gz AXGLCSHQTAWZFV-QGZVFWFLSA-N 2 0 419.530 -0.414 20 0 HBADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1 ZINC000490475107 1070666630 /nfs/dbraw/zinc/66/66/30/1070666630.db2.gz CBINJPFXTJVYOF-INIZCTEOSA-N 2 0 421.546 -0.264 20 0 HBADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1 ZINC000490475108 1070666396 /nfs/dbraw/zinc/66/63/96/1070666396.db2.gz CBINJPFXTJVYOF-MRXNPFEDSA-N 2 0 421.546 -0.264 20 0 HBADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1 ZINC000490498650 1070668845 /nfs/dbraw/zinc/66/88/45/1070668845.db2.gz FXJUYLBIWRDTOB-INIZCTEOSA-N 2 0 407.519 -0.558 20 0 HBADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1 ZINC000490498652 1070668867 /nfs/dbraw/zinc/66/88/67/1070668867.db2.gz FXJUYLBIWRDTOB-MRXNPFEDSA-N 2 0 407.519 -0.558 20 0 HBADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000490502137 1070668765 /nfs/dbraw/zinc/66/87/65/1070668765.db2.gz FBLFMJUUXCEYAX-INIZCTEOSA-N 2 0 407.519 -0.510 20 0 HBADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000490502138 1070668885 /nfs/dbraw/zinc/66/88/85/1070668885.db2.gz FBLFMJUUXCEYAX-MRXNPFEDSA-N 2 0 407.519 -0.510 20 0 HBADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CC1 ZINC000490506686 1070669588 /nfs/dbraw/zinc/66/95/88/1070669588.db2.gz DDKRQNJAQDRWTP-UHFFFAOYSA-N 2 0 407.519 -0.558 20 0 HBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)cn1 ZINC000490512419 1070668051 /nfs/dbraw/zinc/66/80/51/1070668051.db2.gz LOKAAPFZKCHXNH-HNNXBMFYSA-N 2 0 419.530 -0.368 20 0 HBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)cn1 ZINC000490512421 1070668026 /nfs/dbraw/zinc/66/80/26/1070668026.db2.gz LOKAAPFZKCHXNH-OAHLLOKOSA-N 2 0 419.530 -0.368 20 0 HBADRP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000490514827 1070669452 /nfs/dbraw/zinc/66/94/52/1070669452.db2.gz WQDBTIWRUNTVBL-HOTGVXAUSA-N 2 0 421.546 -0.122 20 0 HBADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000490514828 1070669619 /nfs/dbraw/zinc/66/96/19/1070669619.db2.gz WQDBTIWRUNTVBL-HZPDHXFCSA-N 2 0 421.546 -0.122 20 0 HBADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000490514829 1070669477 /nfs/dbraw/zinc/66/94/77/1070669477.db2.gz WQDBTIWRUNTVBL-IYBDPMFKSA-N 2 0 421.546 -0.122 20 0 HBADRP C[C@H]1C[N@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490999981 1070696575 /nfs/dbraw/zinc/69/65/75/1070696575.db2.gz UONBVLODSYPYJG-DLBZAZTESA-N 2 0 417.558 -0.218 20 0 HBADRP C[C@@H]1C[N@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490999984 1070696465 /nfs/dbraw/zinc/69/64/65/1070696465.db2.gz UONBVLODSYPYJG-IAGOWNOFSA-N 2 0 417.558 -0.218 20 0 HBADRP C[C@H]1C[N@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490999985 1070696598 /nfs/dbraw/zinc/69/65/98/1070696598.db2.gz UONBVLODSYPYJG-IRXDYDNUSA-N 2 0 417.558 -0.218 20 0 HBADRP C[C@@H]1C[N@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490999986 1070696491 /nfs/dbraw/zinc/69/64/91/1070696491.db2.gz UONBVLODSYPYJG-SJORKVTESA-N 2 0 417.558 -0.218 20 0 HBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cn1 ZINC000491458736 1071544345 /nfs/dbraw/zinc/54/43/45/1071544345.db2.gz NVZBQGICQSGFNO-DOTOQJQBSA-N 2 0 419.530 -0.558 20 0 HBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cn1 ZINC000491458746 1071544406 /nfs/dbraw/zinc/54/44/06/1071544406.db2.gz NVZBQGICQSGFNO-NVXWUHKLSA-N 2 0 419.530 -0.558 20 0 HBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cn1 ZINC000491458748 1071544451 /nfs/dbraw/zinc/54/44/51/1071544451.db2.gz NVZBQGICQSGFNO-RDJZCZTQSA-N 2 0 419.530 -0.558 20 0 HBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cn1 ZINC000491458750 1071544251 /nfs/dbraw/zinc/54/42/51/1071544251.db2.gz NVZBQGICQSGFNO-WBVHZDCISA-N 2 0 419.530 -0.558 20 0 HBADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C[C@@H]1C ZINC000491472860 1071544180 /nfs/dbraw/zinc/54/41/80/1071544180.db2.gz YLHGFALVGJVBRU-DOTOQJQBSA-N 2 0 421.546 -0.169 20 0 HBADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C[C@H]1C ZINC000491472861 1071544317 /nfs/dbraw/zinc/54/43/17/1071544317.db2.gz YLHGFALVGJVBRU-NVXWUHKLSA-N 2 0 421.546 -0.169 20 0 HBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C[C@@H]1C ZINC000491472862 1071544434 /nfs/dbraw/zinc/54/44/34/1071544434.db2.gz YLHGFALVGJVBRU-RDJZCZTQSA-N 2 0 421.546 -0.169 20 0 HBADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C[C@H]1C ZINC000491472863 1071544287 /nfs/dbraw/zinc/54/42/87/1071544287.db2.gz YLHGFALVGJVBRU-WBVHZDCISA-N 2 0 421.546 -0.169 20 0 HBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cn1 ZINC000491585229 1071547459 /nfs/dbraw/zinc/54/74/59/1071547459.db2.gz BHVDPEFTIHAWMT-GDBMZVCRSA-N 2 0 407.519 -0.512 20 0 HBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cn1 ZINC000491585230 1071547431 /nfs/dbraw/zinc/54/74/31/1071547431.db2.gz BHVDPEFTIHAWMT-GOEBONIOSA-N 2 0 407.519 -0.512 20 0 HBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cn1 ZINC000491585231 1071547270 /nfs/dbraw/zinc/54/72/70/1071547270.db2.gz BHVDPEFTIHAWMT-HOCLYGCPSA-N 2 0 407.519 -0.512 20 0 HBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cn1 ZINC000491585232 1071547253 /nfs/dbraw/zinc/54/72/53/1071547253.db2.gz BHVDPEFTIHAWMT-ZBFHGGJFSA-N 2 0 407.519 -0.512 20 0 HBADRP C[C@]1(CO)CCC[C@H]1[NH2+]CC(=O)N1CCN(C(=O)C[NH2+][C@H]2CCC[C@]2(C)CO)CC1 ZINC000493737853 1071582016 /nfs/dbraw/zinc/58/20/16/1071582016.db2.gz OBRLSVHTHFQORX-GMQQQROESA-N 2 0 424.586 -0.061 20 0 HBADRP C[C@]1(CO)CCC[C@@H]1[NH2+]CC(=O)N1CCN(C(=O)C[NH2+][C@H]2CCC[C@]2(C)CO)CC1 ZINC000493737855 1071582093 /nfs/dbraw/zinc/58/20/93/1071582093.db2.gz OBRLSVHTHFQORX-MOXQZVSFSA-N 2 0 424.586 -0.061 20 0 HBADRP C[C@@]1(CO)CCC[C@H]1[NH2+]CC(=O)N1CCN(C(=O)C[NH2+][C@H]2CCC[C@]2(C)CO)CC1 ZINC000493737856 1071582048 /nfs/dbraw/zinc/58/20/48/1071582048.db2.gz OBRLSVHTHFQORX-MTIDIVMFSA-N 2 0 424.586 -0.061 20 0 HBADRP C[C@@]1(CO)CCC[C@@H]1[NH2+]CC(=O)N1CCN(C(=O)C[NH2+][C@H]2CCC[C@]2(C)CO)CC1 ZINC000493737858 1071582097 /nfs/dbraw/zinc/58/20/97/1071582097.db2.gz OBRLSVHTHFQORX-YHDSQAASSA-N 2 0 424.586 -0.061 20 0 HBADRP O=C(C[NH2+][C@@H]1CCO[C@@H]1C1CC1)N1CCN(C(=O)C[NH2+][C@H]2CCO[C@@H]2C2CC2)CC1 ZINC000494459641 1071611259 /nfs/dbraw/zinc/61/12/59/1071611259.db2.gz VRDAAMHZUKXYEA-GMQQQROESA-N 2 0 420.554 -0.029 20 0 HBADRP O=C(C[NH2+][C@@H]1CCO[C@@H]1C1CC1)N1CCN(C(=O)C[NH2+][C@@H]2CCO[C@@H]2C2CC2)CC1 ZINC000494459642 1071611303 /nfs/dbraw/zinc/61/13/03/1071611303.db2.gz VRDAAMHZUKXYEA-MCEIDBOGSA-N 2 0 420.554 -0.029 20 0 HBADRP O=C(C[NH2+][C@@H]1CCO[C@@H]1C1CC1)N1CCN(C(=O)C[NH2+][C@H]2CCO[C@H]2C2CC2)CC1 ZINC000494459643 1071611188 /nfs/dbraw/zinc/61/11/88/1071611188.db2.gz VRDAAMHZUKXYEA-VVIORFSUSA-N 2 0 420.554 -0.029 20 0 HBADRP O=C(C[NH2+][C@@H]1CCO[C@@H]1C1CC1)N1CCN(C(=O)C[NH2+][C@@H]2CCO[C@H]2C2CC2)CC1 ZINC000494459644 1071611232 /nfs/dbraw/zinc/61/12/32/1071611232.db2.gz VRDAAMHZUKXYEA-YHBROIRLSA-N 2 0 420.554 -0.029 20 0 HBADRP C[C@@H]1CN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000496281175 1071749438 /nfs/dbraw/zinc/74/94/38/1071749438.db2.gz FKGDDSMAWDHJQF-MOPGFXCFSA-N 2 0 422.618 -0.387 20 0 HBADRP C[C@H]1CN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000496281186 1071749399 /nfs/dbraw/zinc/74/93/99/1071749399.db2.gz FKGDDSMAWDHJQF-OALUTQOASA-N 2 0 422.618 -0.387 20 0 HBADRP C[C@H]1CN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000496281187 1071749180 /nfs/dbraw/zinc/74/91/80/1071749180.db2.gz FKGDDSMAWDHJQF-RBUKOAKNSA-N 2 0 422.618 -0.387 20 0 HBADRP C[C@@H]1CN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000496281188 1071749424 /nfs/dbraw/zinc/74/94/24/1071749424.db2.gz FKGDDSMAWDHJQF-RTBURBONSA-N 2 0 422.618 -0.387 20 0 HBADRP C[C@@H]1CN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CCN1C1CC[NH+](C)CC1 ZINC000496284766 1071749865 /nfs/dbraw/zinc/74/98/65/1071749865.db2.gz PDVPEOZNHCGMOU-GOSISDBHSA-N 2 0 422.618 -0.245 20 0 HBADRP C[C@H]1CN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CCN1C1CC[NH+](C)CC1 ZINC000496284767 1071749976 /nfs/dbraw/zinc/74/99/76/1071749976.db2.gz PDVPEOZNHCGMOU-SFHVURJKSA-N 2 0 422.618 -0.245 20 0 HBADRP CN1CC[NH+](CC2CCN(C(=O)C(=O)NCCN3CC[N@H+](C)C(C)(C)C3)CC2)CC1 ZINC000496327295 1071751285 /nfs/dbraw/zinc/75/12/85/1071751285.db2.gz LHYJZWMJHVJKGP-UHFFFAOYSA-N 2 0 422.618 -0.385 20 0 HBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000496334564 1071751977 /nfs/dbraw/zinc/75/19/77/1071751977.db2.gz VVXMDEXVCXFCBF-UHFFFAOYSA-N 2 0 418.542 -0.119 20 0 HBADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000496335064 1071751858 /nfs/dbraw/zinc/75/18/58/1071751858.db2.gz ZDGHZCGNVONJQS-KRWDZBQOSA-N 2 0 409.575 -0.160 20 0 HBADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000496335065 1071752074 /nfs/dbraw/zinc/75/20/74/1071752074.db2.gz ZDGHZCGNVONJQS-QGZVFWFLSA-N 2 0 409.575 -0.160 20 0 HBADRP C[NH+](C)CCOc1cc(CNC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)ccn1 ZINC000496346712 1071752574 /nfs/dbraw/zinc/75/25/74/1071752574.db2.gz NHTYTOAWXDLJGP-UHFFFAOYSA-N 2 0 420.558 -0.220 20 0 HBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CC1(C)C ZINC000496351909 1071751809 /nfs/dbraw/zinc/75/18/09/1071751809.db2.gz XWWCMZAMDRVYNU-GOSISDBHSA-N 2 0 409.575 -0.301 20 0 HBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CC1(C)C ZINC000496351917 1071751886 /nfs/dbraw/zinc/75/18/86/1071751886.db2.gz XWWCMZAMDRVYNU-SFHVURJKSA-N 2 0 409.575 -0.301 20 0 HBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)CC1(C)C ZINC000496368122 1071752742 /nfs/dbraw/zinc/75/27/42/1071752742.db2.gz YOENWDQZOINSLA-UHFFFAOYSA-N 2 0 409.575 -0.301 20 0 HBADRP C[C@H]1C[N@@H+](C2CCN(C(=O)C(=O)NCCN3CC[NH+](C)C(C)(C)C3)CC2)CCO1 ZINC000496375095 1071752639 /nfs/dbraw/zinc/75/26/39/1071752639.db2.gz GOCJXWSKGIPHNG-KRWDZBQOSA-N 2 0 409.575 -0.160 20 0 HBADRP C[C@@H]1C[N@@H+](C2CCN(C(=O)C(=O)NCCN3CC[NH+](C)C(C)(C)C3)CC2)CCO1 ZINC000496375096 1071752528 /nfs/dbraw/zinc/75/25/28/1071752528.db2.gz GOCJXWSKGIPHNG-QGZVFWFLSA-N 2 0 409.575 -0.160 20 0 HBADRP C[NH+]1CCN(CCNC(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)CC1(C)C ZINC000496392335 1071753339 /nfs/dbraw/zinc/75/33/39/1071753339.db2.gz BVSGXXFAPIDXJC-IBGZPJMESA-N 2 0 422.618 -0.243 20 0 HBADRP C[NH+]1CCN(CCNC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)CC1(C)C ZINC000496392336 1071753270 /nfs/dbraw/zinc/75/32/70/1071753270.db2.gz BVSGXXFAPIDXJC-LJQANCHMSA-N 2 0 422.618 -0.243 20 0 HBADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000496395553 1071753393 /nfs/dbraw/zinc/75/33/93/1071753393.db2.gz QDKSRKFGSUGFEW-UHFFFAOYSA-N 2 0 410.607 -0.387 20 0 HBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NCCN3CC[N@H+](C)C(C)(C)C3)C2)CC1 ZINC000496396475 1071753363 /nfs/dbraw/zinc/75/33/63/1071753363.db2.gz SWZQJXWNXHHSPL-GOSISDBHSA-N 2 0 408.591 -0.633 20 0 HBADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NCCN3CC[N@H+](C)C(C)(C)C3)C2)CC1 ZINC000496396480 1071753493 /nfs/dbraw/zinc/75/34/93/1071753493.db2.gz SWZQJXWNXHHSPL-SFHVURJKSA-N 2 0 408.591 -0.633 20 0 HBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000496397537 1071753372 /nfs/dbraw/zinc/75/33/72/1071753372.db2.gz WYQYKYMYJLGZIB-UHFFFAOYSA-N 2 0 424.590 -0.859 20 0 HBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)NCCN3CC[N@H+](C)C(C)(C)C3)CC2)c1 ZINC000496397591 1071753384 /nfs/dbraw/zinc/75/33/84/1071753384.db2.gz XOSVOGHWRFPBJC-UHFFFAOYSA-N 2 0 418.542 -0.119 20 0 HBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)CC1(C)C ZINC000496411561 1071753945 /nfs/dbraw/zinc/75/39/45/1071753945.db2.gz MVKZDVBTGUQDPD-UHFFFAOYSA-N 2 0 409.575 -0.301 20 0 HBADRP Cn1c2ncn(CC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c2c(=O)n(C)c1=O ZINC000497377946 1071787986 /nfs/dbraw/zinc/78/79/86/1071787986.db2.gz BEILBMMTQNWMSK-UHFFFAOYSA-N 2 0 407.519 -0.834 20 0 HBADRP Cn1cnc2c1c(=O)n(CC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c(=O)n2C ZINC000498333750 1071895788 /nfs/dbraw/zinc/89/57/88/1071895788.db2.gz FSIOALUUENUWGS-UHFFFAOYSA-N 2 0 407.519 -0.834 20 0 HBADRP Cn1c(=O)c2cc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cnc2n(C)c1=O ZINC000498335627 1071896698 /nfs/dbraw/zinc/89/66/98/1071896698.db2.gz LGVNUHBAXXEAEA-UHFFFAOYSA-N 2 0 404.515 -0.022 20 0 HBADRP Cn1c(=O)c2ccc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)nc2n(C)c1=O ZINC000498336848 1071898462 /nfs/dbraw/zinc/89/84/62/1071898462.db2.gz PGNUDUALBWKFNF-UHFFFAOYSA-N 2 0 404.515 -0.022 20 0 HBADRP Cn1cc(S(=O)(=O)NCC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000498519107 1071927399 /nfs/dbraw/zinc/92/73/99/1071927399.db2.gz ZDPLOHXUZKCCPI-UHFFFAOYSA-N 2 0 421.527 -0.578 20 0 HBADRP CN(CC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000498944387 1071997738 /nfs/dbraw/zinc/99/77/38/1071997738.db2.gz RTBIWSJVADVYOK-GOSISDBHSA-N 2 0 409.556 -0.171 20 0 HBADRP CN(CC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000498944388 1071997958 /nfs/dbraw/zinc/99/79/58/1071997958.db2.gz RTBIWSJVADVYOK-SFHVURJKSA-N 2 0 409.556 -0.171 20 0 HBADRP C[C@@H]1CCC[NH+](CC(=O)N2CCN(C(=O)C[N@H+]3CCC[C@H](C)[C@@H]3CO)CC2)[C@@H]1CO ZINC000499058714 1072013194 /nfs/dbraw/zinc/01/31/94/1072013194.db2.gz XQHRHXWUEUNTMR-FGYAAKKASA-N 2 0 424.586 -0.157 20 0 HBADRP C[C@@H]1CCC[NH+](CC(=O)N2CCN(C(=O)C[N@H+]3CCC[C@H](C)[C@H]3CO)CC2)[C@@H]1CO ZINC000499058715 1072013393 /nfs/dbraw/zinc/01/33/93/1072013393.db2.gz XQHRHXWUEUNTMR-IYWMVGAKSA-N 2 0 424.586 -0.157 20 0 HBADRP C[C@@H]1CCC[NH+](CC(=O)N2CCN(C(=O)C[N@H+]3CCC[C@H](C)[C@H]3CO)CC2)[C@H]1CO ZINC000499058716 1072013548 /nfs/dbraw/zinc/01/35/48/1072013548.db2.gz XQHRHXWUEUNTMR-JVSBHGNQSA-N 2 0 424.586 -0.157 20 0 HBADRP C[C@@H]1CCC[NH+](CC(=O)N2CCN(C(=O)C[N@H+]3CCC[C@H](C)[C@@H]3CO)CC2)[C@H]1CO ZINC000499058717 1072013303 /nfs/dbraw/zinc/01/33/03/1072013303.db2.gz XQHRHXWUEUNTMR-YRPNKDGESA-N 2 0 424.586 -0.157 20 0 HBADRP CC[N@H+](CCCC1CC[NH+](CC(=O)N2CCNC2=O)CC1)CC(=O)N1CCNC1=O ZINC000499256675 1072033209 /nfs/dbraw/zinc/03/32/09/1072033209.db2.gz PMNNIGQCGDZOEW-UHFFFAOYSA-N 2 0 422.530 -0.096 20 0 HBADRP CCN1CCN(CC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C(=O)C1=O ZINC000500000913 1069110923 /nfs/dbraw/zinc/11/09/23/1069110923.db2.gz PWKPCPMXGPKQPK-UHFFFAOYSA-N 2 0 402.499 -0.599 20 0 HBADRP CN(C)C(=O)Cn1cc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)nn1 ZINC000500036290 1069114041 /nfs/dbraw/zinc/11/40/41/1069114041.db2.gz HGMGROHALWGRKE-UHFFFAOYSA-N 2 0 400.487 -0.297 20 0 HBADRP Cn1ncc2c1ncn(CC(=O)NCCC[NH+]1CCN(c3cc[nH+]cc3)CC1)c2=O ZINC000500062792 1069117067 /nfs/dbraw/zinc/11/70/67/1069117067.db2.gz VEZNYEGZJPVDNZ-UHFFFAOYSA-N 2 0 410.482 -0.147 20 0 HBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCC(O)(C[NH+]3CCOCC3)CC2)C1 ZINC000501075244 1069550526 /nfs/dbraw/zinc/55/05/26/1069550526.db2.gz DUFAVQIEEITRAI-IBGZPJMESA-N 2 0 412.575 -0.382 20 0 HBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCC(O)(C[NH+]3CCOCC3)CC2)C1 ZINC000501075246 1069550401 /nfs/dbraw/zinc/55/04/01/1069550401.db2.gz DUFAVQIEEITRAI-LJQANCHMSA-N 2 0 412.575 -0.382 20 0 HBADRP C[N@H+](CCCN1CC[NH+](C)CC1)CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000501097114 1069551165 /nfs/dbraw/zinc/55/11/65/1069551165.db2.gz YQBHVSVJDIJVRB-UHFFFAOYSA-N 2 0 410.607 -0.385 20 0 HBADRP C[NH+]1CCN(CC(=O)N2CCN(C(=O)CN3CC[N@@H+](C)CC3(C)C)CC2)C(C)(C)C1 ZINC000501772038 1069574331 /nfs/dbraw/zinc/57/43/31/1069574331.db2.gz UXANIPCXAJCBET-UHFFFAOYSA-N 2 0 422.618 -0.291 20 0 HBADRP COCC[N@H+](C)CCCC1CCN(CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 ZINC000501783816 1069574744 /nfs/dbraw/zinc/57/47/44/1069574744.db2.gz AGQIGAVPQXXZHD-UHFFFAOYSA-N 2 0 409.531 -0.081 20 0 HBADRP CC(C)[NH+]1CCN(CC(=O)N2CCN(C(=O)CN3CC[NH+](C(C)C)CC3)CC2)CC1 ZINC000502219668 1069597371 /nfs/dbraw/zinc/59/73/71/1069597371.db2.gz RMHHNGISEKIBOZ-UHFFFAOYSA-N 2 0 422.618 -0.291 20 0 HBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000502574264 1069619787 /nfs/dbraw/zinc/61/97/87/1069619787.db2.gz ZMSHCXLWLRURKT-DLBZAZTESA-N 2 0 416.588 -0.246 20 0 HBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000502574265 1069619854 /nfs/dbraw/zinc/61/98/54/1069619854.db2.gz ZMSHCXLWLRURKT-IAGOWNOFSA-N 2 0 416.588 -0.246 20 0 HBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000502574266 1069619826 /nfs/dbraw/zinc/61/98/26/1069619826.db2.gz ZMSHCXLWLRURKT-IRXDYDNUSA-N 2 0 416.588 -0.246 20 0 HBADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000502574267 1069619753 /nfs/dbraw/zinc/61/97/53/1069619753.db2.gz ZMSHCXLWLRURKT-SJORKVTESA-N 2 0 416.588 -0.246 20 0 HBADRP C[NH+](C)C[C@](C)(O)CNC(=O)[C@@H]1CCC[C@H](C(=O)NC[C@](C)(O)C[NH+](C)C)C1 ZINC000502907550 1069639000 /nfs/dbraw/zinc/63/90/00/1069639000.db2.gz OSWYTALXZSQGQK-NFQUHZNNSA-N 2 0 400.564 -0.350 20 0 HBADRP C[NH+](C)C[C@](C)(O)CNC(=O)[C@@H]1CCC[C@@H](C(=O)NC[C@](C)(O)C[NH+](C)C)C1 ZINC000502907551 1069638850 /nfs/dbraw/zinc/63/88/50/1069638850.db2.gz OSWYTALXZSQGQK-SMOSDQRPSA-N 2 0 400.564 -0.350 20 0 HBADRP C[NH+](C)C[C@](C)(O)CNC(=O)[C@@H]1CCC[C@H](C(=O)NC[C@@](C)(O)C[NH+](C)C)C1 ZINC000502907552 1069638939 /nfs/dbraw/zinc/63/89/39/1069638939.db2.gz OSWYTALXZSQGQK-WOUAJJJCSA-N 2 0 400.564 -0.350 20 0 HBADRP C[NH+](C)C[C@](C)(O)CNC(=O)[C@@H]1CCC[C@@H](C(=O)NC[C@@](C)(O)C[NH+](C)C)C1 ZINC000502907553 1069639035 /nfs/dbraw/zinc/63/90/35/1069639035.db2.gz OSWYTALXZSQGQK-XNFNUYLZSA-N 2 0 400.564 -0.350 20 0 HBADRP C[NH+](C)C[C@](C)(O)CNC(=O)c1ccc(C(=O)NC[C@](C)(O)C[NH+](C)C)s1 ZINC000502973184 1069642972 /nfs/dbraw/zinc/64/29/72/1069642972.db2.gz YAINKWIJLJPHFI-HDICACEKSA-N 2 0 400.545 -0.167 20 0 HBADRP C[NH+](C)C[C@](C)(O)CNC(=O)c1ccc(C(=O)NC[C@@](C)(O)C[NH+](C)C)s1 ZINC000502973191 1069643101 /nfs/dbraw/zinc/64/31/01/1069643101.db2.gz YAINKWIJLJPHFI-QZTJIDSGSA-N 2 0 400.545 -0.167 20 0 HBADRP C[NH+](C)C[C@@](C)(O)CNC(=O)c1ccc(C(=O)NC[C@](C)(O)C[NH+](C)C)s1 ZINC000502973192 1069643015 /nfs/dbraw/zinc/64/30/15/1069643015.db2.gz YAINKWIJLJPHFI-ROUUACIJSA-N 2 0 400.545 -0.167 20 0 HBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000503319467 1069666916 /nfs/dbraw/zinc/66/69/16/1069666916.db2.gz OWOQSSIGZDPYAE-GOSISDBHSA-N 2 0 422.574 -0.121 20 0 HBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000503319469 1069666979 /nfs/dbraw/zinc/66/69/79/1069666979.db2.gz OWOQSSIGZDPYAE-SFHVURJKSA-N 2 0 422.574 -0.121 20 0 HBADRP CC[NH+](CC)CCN(C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000503468434 1069672742 /nfs/dbraw/zinc/67/27/42/1069672742.db2.gz ZEVCZUQCDWYQNJ-DLBZAZTESA-N 2 0 416.588 -0.246 20 0 HBADRP CC[NH+](CC)CCN(C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000503468435 1069672683 /nfs/dbraw/zinc/67/26/83/1069672683.db2.gz ZEVCZUQCDWYQNJ-IAGOWNOFSA-N 2 0 416.588 -0.246 20 0 HBADRP CC[NH+](CC)CCN(C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000503468436 1069672575 /nfs/dbraw/zinc/67/25/75/1069672575.db2.gz ZEVCZUQCDWYQNJ-IRXDYDNUSA-N 2 0 416.588 -0.246 20 0 HBADRP CC[NH+](CC)CCN(C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000503468437 1069672724 /nfs/dbraw/zinc/67/27/24/1069672724.db2.gz ZEVCZUQCDWYQNJ-SJORKVTESA-N 2 0 416.588 -0.246 20 0 HBADRP CC[NH+]1CCN([C@H]2CCN(CC(=O)N3CCN(CC(=O)NC(C)(C)C)CC3)C2)CC1 ZINC000503571536 1069677927 /nfs/dbraw/zinc/67/79/27/1069677927.db2.gz PSKZKUJEGXAHRU-IBGZPJMESA-N 2 0 422.618 -0.243 20 0 HBADRP CC[NH+]1CCN([C@@H]2CCN(CC(=O)N3CCN(CC(=O)NC(C)(C)C)CC3)C2)CC1 ZINC000503571537 1069677841 /nfs/dbraw/zinc/67/78/41/1069677841.db2.gz PSKZKUJEGXAHRU-LJQANCHMSA-N 2 0 422.618 -0.243 20 0 HBADRP Cn1cnc(S(=O)(=O)NCC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000503657830 1069683846 /nfs/dbraw/zinc/68/38/46/1069683846.db2.gz GVRUYGHQZNPOAX-UHFFFAOYSA-N 2 0 421.527 -0.578 20 0 HBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CNS(=O)(=O)c1cn(C)cn1 ZINC000503657967 1069683873 /nfs/dbraw/zinc/68/38/73/1069683873.db2.gz JAJAEUBIZFXIEE-HNNXBMFYSA-N 2 0 400.549 -0.427 20 0 HBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CNS(=O)(=O)c1cn(C)cn1 ZINC000503657968 1069683859 /nfs/dbraw/zinc/68/38/59/1069683859.db2.gz JAJAEUBIZFXIEE-OAHLLOKOSA-N 2 0 400.549 -0.427 20 0 HBADRP NC(=O)c1cccc(NC(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000504238627 1069708384 /nfs/dbraw/zinc/70/83/84/1069708384.db2.gz CRVOJMHWQGJSHT-UHFFFAOYSA-N 2 0 411.466 -0.158 20 0 HBADRP C[NH+](C)C[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000504540036 1069724033 /nfs/dbraw/zinc/72/40/33/1069724033.db2.gz GIDGNTKZZGEBKS-NRFANRHFSA-N 2 0 421.542 -0.320 20 0 HBADRP C[NH+](C)C[C@](C)(O)CNC(=O)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000504540037 1069724185 /nfs/dbraw/zinc/72/41/85/1069724185.db2.gz GIDGNTKZZGEBKS-OAQYLSRUSA-N 2 0 421.542 -0.320 20 0 HBADRP C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)cc21 ZINC000504588542 1069733424 /nfs/dbraw/zinc/73/34/24/1069733424.db2.gz CZBPPIBXRWGZPT-IBGZPJMESA-N 2 0 407.471 -0.477 20 0 HBADRP C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)cc21 ZINC000504588543 1069733236 /nfs/dbraw/zinc/73/32/36/1069733236.db2.gz CZBPPIBXRWGZPT-LJQANCHMSA-N 2 0 407.471 -0.477 20 0 HBADRP CC(C)(O)C(C)(C)[NH2+]CC(=O)N1CCN(C(=O)C[NH2+]C(C)(C)C(C)(C)O)CC1 ZINC000505610774 1069875508 /nfs/dbraw/zinc/87/55/08/1069875508.db2.gz LYOXBZGKROVWAK-UHFFFAOYSA-N 2 0 400.564 -0.065 20 0 HBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000505732225 1069946854 /nfs/dbraw/zinc/94/68/54/1069946854.db2.gz VEVHGUVAKSJCRX-HNNXBMFYSA-N 2 0 419.530 -0.692 20 0 HBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000505732226 1069946756 /nfs/dbraw/zinc/94/67/56/1069946756.db2.gz VEVHGUVAKSJCRX-OAHLLOKOSA-N 2 0 419.530 -0.692 20 0 HBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CNS(=O)(=O)c1cnn(C)c1 ZINC000505748836 1069954831 /nfs/dbraw/zinc/95/48/31/1069954831.db2.gz BWBWNVZESFJEOX-HNNXBMFYSA-N 2 0 400.549 -0.427 20 0 HBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CNS(=O)(=O)c1cnn(C)c1 ZINC000505748837 1069954592 /nfs/dbraw/zinc/95/45/92/1069954592.db2.gz BWBWNVZESFJEOX-OAHLLOKOSA-N 2 0 400.549 -0.427 20 0 HBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000505756003 1069956387 /nfs/dbraw/zinc/95/63/87/1069956387.db2.gz XADLYJPWSXVUCP-HNNXBMFYSA-N 2 0 419.530 -0.692 20 0 HBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000505756004 1069956309 /nfs/dbraw/zinc/95/63/09/1069956309.db2.gz XADLYJPWSXVUCP-OAHLLOKOSA-N 2 0 419.530 -0.692 20 0 HBADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC000507201786 1069572901 /nfs/dbraw/zinc/57/29/01/1069572901.db2.gz ALBDXZGEMWWCKV-UHFFFAOYSA-N 2 0 411.466 -0.028 20 0 HBADRP Cn1cnc2c1c(=O)n(CCC[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1)c(=O)n2C ZINC000507352821 1070474119 /nfs/dbraw/zinc/47/41/19/1070474119.db2.gz MCYVFRNHENMXOD-UHFFFAOYSA-N 2 0 419.530 -0.786 20 0 HBADRP C[NH+](C)CCNC(=O)C1CC[NH+](CCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000507386192 1070479317 /nfs/dbraw/zinc/47/93/17/1070479317.db2.gz MYBNBSONNWZHSC-UHFFFAOYSA-N 2 0 417.558 -0.095 20 0 HBADRP C[NH+](C)CCNC(=O)C1CC[NH+](CC(=O)N2CCN(C(=O)c3ccco3)CC2)CC1 ZINC000507400498 1070484155 /nfs/dbraw/zinc/48/41/55/1070484155.db2.gz GFMIBDATTGBRNJ-UHFFFAOYSA-N 2 0 419.526 -0.046 20 0 HBADRP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000507401976 1070484868 /nfs/dbraw/zinc/48/48/68/1070484868.db2.gz JNHWRMJDBZCHGN-KRWDZBQOSA-N 2 0 417.558 -0.097 20 0 HBADRP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000507401980 1070484754 /nfs/dbraw/zinc/48/47/54/1070484754.db2.gz JNHWRMJDBZCHGN-QGZVFWFLSA-N 2 0 417.558 -0.097 20 0 HBADRP C[NH+](C)CCNC(=O)C1CC[NH+](CC(=O)N2CCN(c3cnccn3)CC2)CC1 ZINC000507406280 1070480984 /nfs/dbraw/zinc/48/09/84/1070480984.db2.gz RMYOTRWDSIYTCQ-UHFFFAOYSA-N 2 0 403.531 -0.485 20 0 HBADRP CCCn1c(N)c(C(=O)CN2CCC(C(=O)NCC[NH+](C)C)CC2)c(=O)[nH]c1=O ZINC000507440645 1070486322 /nfs/dbraw/zinc/48/63/22/1070486322.db2.gz JZVOOMYQMZJQKU-UHFFFAOYSA-N 2 0 408.503 -0.486 20 0 HBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCC(C(=O)NCC[NH+](C)C)CC2)C1 ZINC000507442584 1070489335 /nfs/dbraw/zinc/48/93/35/1070489335.db2.gz RVMJCWMAOVQTAG-IBGZPJMESA-N 2 0 411.591 -0.151 20 0 HBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCC(C(=O)NCC[NH+](C)C)CC2)C1 ZINC000507442586 1070489465 /nfs/dbraw/zinc/48/94/65/1070489465.db2.gz RVMJCWMAOVQTAG-LJQANCHMSA-N 2 0 411.591 -0.151 20 0 HBADRP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000507640005 1070513786 /nfs/dbraw/zinc/51/37/86/1070513786.db2.gz HBDGXFXQRXBUAS-DOTOQJQBSA-N 2 0 419.530 -0.415 20 0 HBADRP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000507640008 1070514338 /nfs/dbraw/zinc/51/43/38/1070514338.db2.gz HBDGXFXQRXBUAS-NVXWUHKLSA-N 2 0 419.530 -0.415 20 0 HBADRP C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000507640009 1070514229 /nfs/dbraw/zinc/51/42/29/1070514229.db2.gz HBDGXFXQRXBUAS-RDJZCZTQSA-N 2 0 419.530 -0.415 20 0 HBADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000507640010 1070514275 /nfs/dbraw/zinc/51/42/75/1070514275.db2.gz HBDGXFXQRXBUAS-WBVHZDCISA-N 2 0 419.530 -0.415 20 0 HBADRP CC[NH+](CC)CC(=O)N1CCN(CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000507686787 1070519985 /nfs/dbraw/zinc/51/99/85/1070519985.db2.gz IGKIXWNCEOZACZ-IBGZPJMESA-N 2 0 411.591 -0.055 20 0 HBADRP CC[NH+](CC)CC(=O)N1CCN(CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000507686788 1070519880 /nfs/dbraw/zinc/51/98/80/1070519880.db2.gz IGKIXWNCEOZACZ-LJQANCHMSA-N 2 0 411.591 -0.055 20 0 HBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC1 ZINC000507856494 1070724733 /nfs/dbraw/zinc/72/47/33/1070724733.db2.gz WCKAVUJNSNJISR-FBVQUNGASA-N 2 0 405.543 -0.117 20 0 HBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC1 ZINC000507856500 1070724808 /nfs/dbraw/zinc/72/48/08/1070724808.db2.gz WCKAVUJNSNJISR-HQSKLWIPSA-N 2 0 405.543 -0.117 20 0 HBADRP Cn1cnc2c1c(=O)n(CCC[NH+]1CCC(C[NH+]3CCOCC3)CC1)c(=O)n2C ZINC000507916433 1070732316 /nfs/dbraw/zinc/73/23/16/1070732316.db2.gz AGGYZBGQWANSNZ-UHFFFAOYSA-N 2 0 404.515 -0.132 20 0 HBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NC[C@H]1CS(=O)(=O)CCO1 ZINC000509176775 1069413975 /nfs/dbraw/zinc/41/39/75/1069413975.db2.gz BWIDZRHUYAVSOG-KRWDZBQOSA-N 2 0 411.528 -0.294 20 0 HBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NC[C@@H]1CS(=O)(=O)CCO1 ZINC000509176778 1069414010 /nfs/dbraw/zinc/41/40/10/1069414010.db2.gz BWIDZRHUYAVSOG-QGZVFWFLSA-N 2 0 411.528 -0.294 20 0 HBADRP C[C@@H]1C[NH+](C)[C@H](C)CN1CC(=O)N1CCN(C(=O)CN2C[C@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000509500663 1071846164 /nfs/dbraw/zinc/84/61/64/1071846164.db2.gz APTUTHCWJYBGOJ-FGYAAKKASA-N 2 0 422.618 -0.294 20 0 HBADRP C[C@@H]1C[NH+](C)[C@H](C)CN1CC(=O)N1CCN(C(=O)CN2C[C@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000509500664 1071846206 /nfs/dbraw/zinc/84/62/06/1071846206.db2.gz APTUTHCWJYBGOJ-IYWMVGAKSA-N 2 0 422.618 -0.294 20 0 HBADRP C[C@@H]1C[NH+](C)[C@@H](C)CN1CC(=O)N1CCN(C(=O)CN2C[C@@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000509500665 1071846066 /nfs/dbraw/zinc/84/60/66/1071846066.db2.gz APTUTHCWJYBGOJ-JVSBHGNQSA-N 2 0 422.618 -0.294 20 0 HBADRP C[C@@H]1CN(CC(=O)N2CCN(C(=O)CN3C[C@H](C)[N@@H+](C)C[C@@H]3C)CC2)[C@@H](C)C[NH+]1C ZINC000509500666 1071845973 /nfs/dbraw/zinc/84/59/73/1071845973.db2.gz APTUTHCWJYBGOJ-YRPNKDGESA-N 2 0 422.618 -0.294 20 0 HBADRP CNS(=O)(=O)N1CCC(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000509550481 1070189124 /nfs/dbraw/zinc/18/91/24/1070189124.db2.gz VVMRXBVFLTUEAJ-UHFFFAOYSA-N 2 0 424.571 -0.114 20 0 HBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[NH+]3C)CC1 ZINC000509704796 1071225774 /nfs/dbraw/zinc/22/57/74/1071225774.db2.gz BALLFJYETGIUTI-DFNIBXOVSA-N 2 0 409.575 -0.160 20 0 HBADRP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000509714316 1071226361 /nfs/dbraw/zinc/22/63/61/1071226361.db2.gz MDQPKAPFILJWOV-UHFFFAOYSA-N 2 0 411.591 -0.053 20 0 HBADRP C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000509821016 1069427902 /nfs/dbraw/zinc/42/79/02/1069427902.db2.gz BHUHLYLPQFKXKO-DOTOQJQBSA-N 2 0 419.530 -0.415 20 0 HBADRP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000509821017 1069427692 /nfs/dbraw/zinc/42/76/92/1069427692.db2.gz BHUHLYLPQFKXKO-NVXWUHKLSA-N 2 0 419.530 -0.415 20 0 HBADRP C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000509821018 1069427942 /nfs/dbraw/zinc/42/79/42/1069427942.db2.gz BHUHLYLPQFKXKO-RDJZCZTQSA-N 2 0 419.530 -0.415 20 0 HBADRP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000509821019 1069427849 /nfs/dbraw/zinc/42/78/49/1069427849.db2.gz BHUHLYLPQFKXKO-WBVHZDCISA-N 2 0 419.530 -0.415 20 0 HBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)C1 ZINC000510798857 1068572071 /nfs/dbraw/zinc/57/20/71/1068572071.db2.gz QJIFINUYPXXANK-BRWVUGGUSA-N 2 0 404.577 -0.091 20 0 HBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@H]2CCCC[C@@H]2NS(C)(=O)=O)C1 ZINC000510798862 1068572100 /nfs/dbraw/zinc/57/21/00/1068572100.db2.gz QJIFINUYPXXANK-IKGGRYGDSA-N 2 0 404.577 -0.091 20 0 HBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@H]2CCCC[C@H]2NS(C)(=O)=O)C1 ZINC000510798863 1068571790 /nfs/dbraw/zinc/57/17/90/1068571790.db2.gz QJIFINUYPXXANK-IXDOHACOSA-N 2 0 404.577 -0.091 20 0 HBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@H]2CCCC[C@@H]2NS(C)(=O)=O)C1 ZINC000510798864 1068571887 /nfs/dbraw/zinc/57/18/87/1068571887.db2.gz QJIFINUYPXXANK-ZACQAIPSSA-N 2 0 404.577 -0.091 20 0 HBADRP CC[NH+]1CCN(CC(=O)N2CCN(C(=O)CN3CC[N@@H+](CC)C[C@@H]3C)CC2)[C@H](C)C1 ZINC000511611688 1069099258 /nfs/dbraw/zinc/09/92/58/1069099258.db2.gz SGRSHYZUGKOUKE-BGYRXZFFSA-N 2 0 422.618 -0.291 20 0 HBADRP CC[NH+]1CCN(CC(=O)N2CCN(C(=O)CN3CC[N@@H+](CC)C[C@@H]3C)CC2)[C@@H](C)C1 ZINC000511611692 1069099342 /nfs/dbraw/zinc/09/93/42/1069099342.db2.gz SGRSHYZUGKOUKE-PMACEKPBSA-N 2 0 422.618 -0.291 20 0 HBADRP CC[NH+]1CCN(CC(=O)N2CCN(C(=O)CN3CC[N@@H+](CC)C[C@H]3C)CC2)[C@H](C)C1 ZINC000511611694 1069099587 /nfs/dbraw/zinc/09/95/87/1069099587.db2.gz SGRSHYZUGKOUKE-WOJBJXKFSA-N 2 0 422.618 -0.291 20 0 HBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)CC1 ZINC000511940172 1069234551 /nfs/dbraw/zinc/23/45/51/1069234551.db2.gz PMQHXKFLFNUUNF-ABHNRTSZSA-N 2 0 405.543 -0.116 20 0 HBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)CC1 ZINC000511940173 1069234478 /nfs/dbraw/zinc/23/44/78/1069234478.db2.gz PMQHXKFLFNUUNF-DAWZGUTISA-N 2 0 405.543 -0.116 20 0 HBADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)CC1 ZINC000511974741 1069246330 /nfs/dbraw/zinc/24/63/30/1069246330.db2.gz TVXIWMHUYQEPNC-UHFFFAOYSA-N 2 0 405.543 -0.114 20 0 HBADRP C[NH+](C)C[C@@H]1CCN(CC(=O)N2CCN(C(=O)CN3CC[C@H](C[NH+](C)C)C3)CC2)C1 ZINC000512305138 1069302279 /nfs/dbraw/zinc/30/22/79/1069302279.db2.gz RUJRBXMUGQOEFS-BGYRXZFFSA-N 2 0 422.618 -0.576 20 0 HBADRP C[NH+](C)C[C@@H]1CCN(CC(=O)N2CCN(C(=O)CN3CC[C@@H](C[NH+](C)C)C3)CC2)C1 ZINC000512305140 1069302162 /nfs/dbraw/zinc/30/21/62/1069302162.db2.gz RUJRBXMUGQOEFS-PMACEKPBSA-N 2 0 422.618 -0.576 20 0 HBADRP C[NH+](C)C[C@H]1CCN(CC(=O)N2CCN(C(=O)CN3CC[C@H](C[NH+](C)C)C3)CC2)C1 ZINC000512305141 1069302429 /nfs/dbraw/zinc/30/24/29/1069302429.db2.gz RUJRBXMUGQOEFS-WOJBJXKFSA-N 2 0 422.618 -0.576 20 0 HBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCn1cc(S(N)(=O)=O)cn1 ZINC000512320953 1069304068 /nfs/dbraw/zinc/30/40/68/1069304068.db2.gz HJAFEJHEXNCQCB-HNNXBMFYSA-N 2 0 400.549 -0.205 20 0 HBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCn1cc(S(N)(=O)=O)cn1 ZINC000512320966 1069304001 /nfs/dbraw/zinc/30/40/01/1069304001.db2.gz HJAFEJHEXNCQCB-OAHLLOKOSA-N 2 0 400.549 -0.205 20 0 HBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CNS(=O)(=O)c1cn(C)c(C)n1 ZINC000512361735 1069313405 /nfs/dbraw/zinc/31/34/05/1069313405.db2.gz DFRXMRAHYQIVHH-INIZCTEOSA-N 2 0 414.576 -0.119 20 0 HBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CNS(=O)(=O)c1cn(C)c(C)n1 ZINC000512361736 1069313362 /nfs/dbraw/zinc/31/33/62/1069313362.db2.gz DFRXMRAHYQIVHH-MRXNPFEDSA-N 2 0 414.576 -0.119 20 0 HBADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)NCCCC[NH+]2CCN(CCO)CC2)CC1 ZINC000512814319 1069424612 /nfs/dbraw/zinc/42/46/12/1069424612.db2.gz MCAURBJJHGNGAK-UHFFFAOYSA-N 2 0 424.590 -0.674 20 0 HBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000512833090 1069426061 /nfs/dbraw/zinc/42/60/61/1069426061.db2.gz KDFAJUIJXUQXPL-MOPGFXCFSA-N 2 0 404.559 -0.180 20 0 HBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000512833094 1069426035 /nfs/dbraw/zinc/42/60/35/1069426035.db2.gz KDFAJUIJXUQXPL-OALUTQOASA-N 2 0 404.559 -0.180 20 0 HBADRP C[C@@H]1CN(C(=O)c2ccc(=O)n(CC(=O)N3C[C@@H](C)[N@H+](C)[C@@H](C)C3)n2)C[C@H](C)[NH+]1C ZINC000513055461 1069456319 /nfs/dbraw/zinc/45/63/19/1069456319.db2.gz AAOLOTWAIPJGMY-WNKDZCFJSA-N 2 0 418.542 -0.041 20 0 HBADRP CC[C@H](C(=O)NCCS(=O)(=O)N1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1)[NH+](C)C ZINC000514073104 1069788737 /nfs/dbraw/zinc/78/87/37/1069788737.db2.gz QETOASGYRWNOIB-CVEARBPZSA-N 2 0 419.592 -0.743 20 0 HBADRP CC[C@@H](C(=O)NCCS(=O)(=O)N1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1)[NH+](C)C ZINC000514073105 1069788857 /nfs/dbraw/zinc/78/88/57/1069788857.db2.gz QETOASGYRWNOIB-HOTGVXAUSA-N 2 0 419.592 -0.743 20 0 HBADRP CC[C@H](C(=O)NCCS(=O)(=O)N1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1)[NH+](C)C ZINC000514073106 1069788923 /nfs/dbraw/zinc/78/89/23/1069788923.db2.gz QETOASGYRWNOIB-HZPDHXFCSA-N 2 0 419.592 -0.743 20 0 HBADRP CC[C@H](C(=O)N1CCN(S(=O)(=O)CCNC(=O)[C@H](CC)[NH+](C)C)CC1)[NH+](C)C ZINC000514073107 1069788836 /nfs/dbraw/zinc/78/88/36/1069788836.db2.gz QETOASGYRWNOIB-JKSUJKDBSA-N 2 0 419.592 -0.743 20 0 HBADRP O=C(C[NH+]1CCCC1)N1CCN(CCN2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000514106201 1069791647 /nfs/dbraw/zinc/79/16/47/1069791647.db2.gz WEZLCGJOJWUMGS-UHFFFAOYSA-N 2 0 420.602 -0.534 20 0 HBADRP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000514323201 1069817392 /nfs/dbraw/zinc/81/73/92/1069817392.db2.gz AAULPPMWQCFQJW-MOPGFXCFSA-N 2 0 409.575 -0.422 20 0 HBADRP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000514323202 1069817054 /nfs/dbraw/zinc/81/70/54/1069817054.db2.gz AAULPPMWQCFQJW-OALUTQOASA-N 2 0 409.575 -0.422 20 0 HBADRP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000514323203 1069818046 /nfs/dbraw/zinc/81/80/46/1069818046.db2.gz AAULPPMWQCFQJW-RBUKOAKNSA-N 2 0 409.575 -0.422 20 0 HBADRP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000514323204 1069817731 /nfs/dbraw/zinc/81/77/31/1069817731.db2.gz AAULPPMWQCFQJW-RTBURBONSA-N 2 0 409.575 -0.422 20 0 HBADRP CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000514439548 1069849049 /nfs/dbraw/zinc/84/90/49/1069849049.db2.gz VMCKZWLDXHAYFD-MSOLQXFVSA-N 2 0 416.526 -0.259 20 0 HBADRP CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000514439549 1069849558 /nfs/dbraw/zinc/84/95/58/1069849558.db2.gz VMCKZWLDXHAYFD-QZTJIDSGSA-N 2 0 416.526 -0.259 20 0 HBADRP CNC(=O)[C@H]1CCC[C@@H]1NC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000514439550 1069849601 /nfs/dbraw/zinc/84/96/01/1069849601.db2.gz VMCKZWLDXHAYFD-ROUUACIJSA-N 2 0 416.526 -0.259 20 0 HBADRP CNC(=O)[C@H]1CCC[C@H]1NC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000514439551 1069848854 /nfs/dbraw/zinc/84/88/54/1069848854.db2.gz VMCKZWLDXHAYFD-ZWKOTPCHSA-N 2 0 416.526 -0.259 20 0 HBADRP O=C(C[NH2+][C@@H](CO)C1CCCC1)N1CCN(C(=O)C[NH2+][C@H](CO)C2CCCC2)CC1 ZINC000514444632 1069845658 /nfs/dbraw/zinc/84/56/58/1069845658.db2.gz DPONRCFGABUFGZ-BGYRXZFFSA-N 2 0 424.586 -0.061 20 0 HBADRP O=C(C[NH2+][C@@H](CO)C1CCCC1)N1CCN(C(=O)C[NH2+][C@@H](CO)C2CCCC2)CC1 ZINC000514444633 1069846010 /nfs/dbraw/zinc/84/60/10/1069846010.db2.gz DPONRCFGABUFGZ-PMACEKPBSA-N 2 0 424.586 -0.061 20 0 HBADRP O=C(C[NH2+][C@H](CO)C1CCCC1)N1CCN(C(=O)C[NH2+][C@H](CO)C2CCCC2)CC1 ZINC000514444634 1069845927 /nfs/dbraw/zinc/84/59/27/1069845927.db2.gz DPONRCFGABUFGZ-WOJBJXKFSA-N 2 0 424.586 -0.061 20 0 HBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000514592397 1069868724 /nfs/dbraw/zinc/86/87/24/1069868724.db2.gz FLBBUPOZZZROGM-MSOLQXFVSA-N 2 0 423.558 -0.739 20 0 HBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000514592410 1069868308 /nfs/dbraw/zinc/86/83/08/1069868308.db2.gz FLBBUPOZZZROGM-QZTJIDSGSA-N 2 0 423.558 -0.739 20 0 HBADRP CC(C)[C@@H](CNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)N1CC[NH+](C)CC1 ZINC000514877756 1069904824 /nfs/dbraw/zinc/90/48/24/1069904824.db2.gz PZXIYDNLJBTCOF-AZUAARDMSA-N 2 0 423.602 -0.008 20 0 HBADRP CC(C)[C@H](CNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)N1CC[NH+](C)CC1 ZINC000514877758 1069904912 /nfs/dbraw/zinc/90/49/12/1069904912.db2.gz PZXIYDNLJBTCOF-ICSRJNTNSA-N 2 0 423.602 -0.008 20 0 HBADRP CC(C)[C@H](CNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)N1CC[NH+](C)CC1 ZINC000514877759 1069905099 /nfs/dbraw/zinc/90/50/99/1069905099.db2.gz PZXIYDNLJBTCOF-QUCCMNQESA-N 2 0 423.602 -0.008 20 0 HBADRP CC(C)[C@@H](CNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)N1CC[NH+](C)CC1 ZINC000514877761 1069905120 /nfs/dbraw/zinc/90/51/20/1069905120.db2.gz PZXIYDNLJBTCOF-UYAOXDASSA-N 2 0 423.602 -0.008 20 0 HBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCN(C[C@@H]2CCCC[NH+]2C)CC1 ZINC000514927643 1069910090 /nfs/dbraw/zinc/91/00/90/1069910090.db2.gz KFZVWCBOLRCVBB-MOPGFXCFSA-N 2 0 409.575 -0.158 20 0 HBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCN(C[C@@H]2CCCC[NH+]2C)CC1 ZINC000514927649 1069910160 /nfs/dbraw/zinc/91/01/60/1069910160.db2.gz KFZVWCBOLRCVBB-OALUTQOASA-N 2 0 409.575 -0.158 20 0 HBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCN(C[C@H]2CCCC[NH+]2C)CC1 ZINC000514927650 1069910280 /nfs/dbraw/zinc/91/02/80/1069910280.db2.gz KFZVWCBOLRCVBB-RBUKOAKNSA-N 2 0 409.575 -0.158 20 0 HBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCN(C[C@H]2CCCC[NH+]2C)CC1 ZINC000514927652 1069910592 /nfs/dbraw/zinc/91/05/92/1069910592.db2.gz KFZVWCBOLRCVBB-RTBURBONSA-N 2 0 409.575 -0.158 20 0 HBADRP O=C(NCCCN1CCOCC1)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000515238510 1069930537 /nfs/dbraw/zinc/93/05/37/1069930537.db2.gz VGGDUDXWRCKACH-UHFFFAOYSA-N 2 0 418.542 -0.452 20 0 HBADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000515439051 1069945760 /nfs/dbraw/zinc/94/57/60/1069945760.db2.gz IHJGELPURDOMST-SFHVURJKSA-N 2 0 409.575 -0.301 20 0 HBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1(C)C ZINC000516339144 1070013296 /nfs/dbraw/zinc/01/32/96/1070013296.db2.gz JQJJKIKNXSVFGO-MSOLQXFVSA-N 2 0 409.575 -0.377 20 0 HBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1(C)C ZINC000516339145 1070013650 /nfs/dbraw/zinc/01/36/50/1070013650.db2.gz JQJJKIKNXSVFGO-QZTJIDSGSA-N 2 0 409.575 -0.377 20 0 HBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1(C)C ZINC000516339146 1070013832 /nfs/dbraw/zinc/01/38/32/1070013832.db2.gz JQJJKIKNXSVFGO-ROUUACIJSA-N 2 0 409.575 -0.377 20 0 HBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1(C)C ZINC000516339147 1070013420 /nfs/dbraw/zinc/01/34/20/1070013420.db2.gz JQJJKIKNXSVFGO-ZWKOTPCHSA-N 2 0 409.575 -0.377 20 0 HBADRP C[NH+]1C[C@@H]2CN(S(=O)(=O)c3c[nH]c(C(=O)N4C[C@@H]5C[N@H+](C)C[C@@H]5C4)c3)C[C@@H]2C1 ZINC000516860344 1070058948 /nfs/dbraw/zinc/05/89/48/1070058948.db2.gz VDUVFJFCLBJZMJ-GEEKYZPCSA-N 2 0 407.540 -0.170 20 0 HBADRP CCN(Cc1cn(C)nn1)C(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000517603530 1070115321 /nfs/dbraw/zinc/11/53/21/1070115321.db2.gz TWURZPPTJILTPI-UHFFFAOYSA-N 2 0 414.514 -0.113 20 0 HBADRP CC(C)(O)C[NH+]1CCN(C(=O)CCCC(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000518511602 1070249363 /nfs/dbraw/zinc/24/93/63/1070249363.db2.gz PHEXBUNEESZPHU-UHFFFAOYSA-N 2 0 412.575 -0.013 20 0 HBADRP COCC1(O)CCN(C(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000519199733 1070332704 /nfs/dbraw/zinc/33/27/04/1070332704.db2.gz AZSNYKRIBONQNJ-UHFFFAOYSA-N 2 0 419.526 -0.290 20 0 HBADRP C[C@@H]1CN(C(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C[C@@H](CO)O1 ZINC000519199877 1070332809 /nfs/dbraw/zinc/33/28/09/1070332809.db2.gz IQYLIICJTUWMEX-AEFFLSMTSA-N 2 0 405.499 -0.682 20 0 HBADRP C[C@H]1CN(C(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C[C@H](CO)O1 ZINC000519199878 1070332496 /nfs/dbraw/zinc/33/24/96/1070332496.db2.gz IQYLIICJTUWMEX-FUHWJXTLSA-N 2 0 405.499 -0.682 20 0 HBADRP C[C@@H]1CN(C(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C[C@H](CO)O1 ZINC000519199879 1070332664 /nfs/dbraw/zinc/33/26/64/1070332664.db2.gz IQYLIICJTUWMEX-SJLPKXTDSA-N 2 0 405.499 -0.682 20 0 HBADRP C[C@H]1CN(C(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C[C@@H](CO)O1 ZINC000519199880 1070332763 /nfs/dbraw/zinc/33/27/63/1070332763.db2.gz IQYLIICJTUWMEX-WMZOPIPTSA-N 2 0 405.499 -0.682 20 0 HBADRP COCC[NH+]1CC[C@H](NC(=O)c2cncc(C(=O)N[C@@H]3CC[N@@H+](CCOC)C3)c2)C1 ZINC000519369190 1070351661 /nfs/dbraw/zinc/35/16/61/1070351661.db2.gz CAIBNSVQHZSWCB-KDURUIRLSA-N 2 0 419.526 -0.017 20 0 HBADRP COCC[NH+]1CC[C@H](NC(=O)c2cncc(C(=O)N[C@H]3CC[N@@H+](CCOC)C3)c2)C1 ZINC000519369191 1070351381 /nfs/dbraw/zinc/35/13/81/1070351381.db2.gz CAIBNSVQHZSWCB-OALUTQOASA-N 2 0 419.526 -0.017 20 0 HBADRP COCC[NH+]1CC[C@@H](NC(=O)c2cncc(C(=O)N[C@@H]3CC[N@@H+](CCOC)C3)c2)C1 ZINC000519369192 1070351230 /nfs/dbraw/zinc/35/12/30/1070351230.db2.gz CAIBNSVQHZSWCB-RTBURBONSA-N 2 0 419.526 -0.017 20 0 HBADRP COc1ccc(CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1S(N)(=O)=O ZINC000519676894 1070534408 /nfs/dbraw/zinc/53/44/08/1070534408.db2.gz HGQXLZGWTFFSRU-UHFFFAOYSA-N 2 0 401.533 -0.023 20 0 HBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000520551589 1070674595 /nfs/dbraw/zinc/67/45/95/1070674595.db2.gz IRTFWFZZURSUPL-KRWDZBQOSA-N 2 0 408.547 -0.477 20 0 HBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000520551590 1070675413 /nfs/dbraw/zinc/67/54/13/1070675413.db2.gz IRTFWFZZURSUPL-QGZVFWFLSA-N 2 0 408.547 -0.477 20 0 HBADRP C[NH+]1CCN(c2cc(CNC(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)ccn2)CC1 ZINC000520774348 1070716942 /nfs/dbraw/zinc/71/69/42/1070716942.db2.gz ZNUFBWOLZMDNOV-KRWDZBQOSA-N 2 0 403.531 -0.028 20 0 HBADRP C[NH+]1CCN(c2cc(CNC(=O)NCCC[N@@H+]3CCC[C@@H]3C(N)=O)ccn2)CC1 ZINC000520774349 1070717256 /nfs/dbraw/zinc/71/72/56/1070717256.db2.gz ZNUFBWOLZMDNOV-QGZVFWFLSA-N 2 0 403.531 -0.028 20 0 HBADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NCC3([NH+]4CCCC4)CCOCC3)C2)CC1 ZINC000521654254 1070941872 /nfs/dbraw/zinc/94/18/72/1070941872.db2.gz WUPNNDAGBBGLHS-IBGZPJMESA-N 2 0 421.586 -0.014 20 0 HBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NCC3([NH+]4CCCC4)CCOCC3)C2)CC1 ZINC000521654255 1070942239 /nfs/dbraw/zinc/94/22/39/1070942239.db2.gz WUPNNDAGBBGLHS-LJQANCHMSA-N 2 0 421.586 -0.014 20 0 HBADRP O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000521674123 1070947671 /nfs/dbraw/zinc/94/76/71/1070947671.db2.gz CKHAGMTVRNUTCO-BHIYHBOVSA-N 2 0 408.543 -0.339 20 0 HBADRP COCC[NH+]1CC[C@@H](NC(=O)c2cccc(C(=O)N[C@H]3CC[N@@H+](CCOC)C3)n2)C1 ZINC000521681766 1070945301 /nfs/dbraw/zinc/94/53/01/1070945301.db2.gz AARIBMUYBCRSJZ-CALCHBBNSA-N 2 0 419.526 -0.017 20 0 HBADRP COCC[NH+]1CC[C@@H](NC(=O)c2cccc(C(=O)N[C@@H]3CC[N@@H+](CCOC)C3)n2)C1 ZINC000521681774 1070945470 /nfs/dbraw/zinc/94/54/70/1070945470.db2.gz AARIBMUYBCRSJZ-IAGOWNOFSA-N 2 0 419.526 -0.017 20 0 HBADRP COCC[NH+]1CC[C@H](NC(=O)c2cccc(C(=O)N[C@H]3CC[N@@H+](CCOC)C3)n2)C1 ZINC000521681777 1070945525 /nfs/dbraw/zinc/94/55/25/1070945525.db2.gz AARIBMUYBCRSJZ-IRXDYDNUSA-N 2 0 419.526 -0.017 20 0 HBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000521849319 1070970160 /nfs/dbraw/zinc/97/01/60/1070970160.db2.gz DPXHONVIRRDDBZ-UHFFFAOYSA-N 2 0 422.574 -0.121 20 0 HBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NCCS(=O)(=O)NC1CC1 ZINC000522126046 1071015598 /nfs/dbraw/zinc/01/55/98/1071015598.db2.gz GISUIJWAUZPHSS-UHFFFAOYSA-N 2 0 410.544 -0.025 20 0 HBADRP Cn1c(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cc2c1n(C)c(=O)n(C)c2=O ZINC000522171922 1071020432 /nfs/dbraw/zinc/02/04/32/1071020432.db2.gz NUSKPJGWWNZMSS-UHFFFAOYSA-N 2 0 406.531 -0.079 20 0 HBADRP NS(=O)(=O)N1CCC(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000522710448 1071199010 /nfs/dbraw/zinc/19/90/10/1071199010.db2.gz ATNICQZIFLFBAX-UHFFFAOYSA-N 2 0 410.544 -0.375 20 0 HBADRP CS(=O)(=O)N1CCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000522725182 1071201311 /nfs/dbraw/zinc/20/13/11/1071201311.db2.gz ZPMYDKMIZPJSFM-UHFFFAOYSA-N 2 0 410.544 -0.120 20 0 HBADRP NS(=O)(=O)c1cnn(CCC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000523177716 1071328259 /nfs/dbraw/zinc/32/82/59/1071328259.db2.gz IHEVLSIGUFLILU-UHFFFAOYSA-N 2 0 421.527 -0.356 20 0 HBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NCCN1CCCS1(=O)=O ZINC000523193293 1071327509 /nfs/dbraw/zinc/32/75/09/1071327509.db2.gz HLMWXUAGNBJSMB-UHFFFAOYSA-N 2 0 410.544 -0.072 20 0 HBADRP CS(=O)(=O)N[C@H]1CCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000523900031 1071399665 /nfs/dbraw/zinc/39/96/65/1071399665.db2.gz SIBKLNQAWSONAD-INIZCTEOSA-N 2 0 410.544 -0.073 20 0 HBADRP CS(=O)(=O)N[C@@H]1CCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000523900036 1071399801 /nfs/dbraw/zinc/39/98/01/1071399801.db2.gz SIBKLNQAWSONAD-MRXNPFEDSA-N 2 0 410.544 -0.073 20 0 HBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000524628263 1071459830 /nfs/dbraw/zinc/45/98/30/1071459830.db2.gz QDKDZZVPBOUWND-UHFFFAOYSA-N 2 0 420.562 -0.350 20 0 HBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000525302832 1071516597 /nfs/dbraw/zinc/51/65/97/1071516597.db2.gz JHJXICXHIQEXHK-INIZCTEOSA-N 2 0 410.563 -0.184 20 0 HBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000525302833 1071516342 /nfs/dbraw/zinc/51/63/42/1071516342.db2.gz JHJXICXHIQEXHK-MRXNPFEDSA-N 2 0 410.563 -0.184 20 0 HBADRP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NCC3(O)CC[NH+](C)CC3)c2)CC1 ZINC000525429000 1071529432 /nfs/dbraw/zinc/52/94/32/1071529432.db2.gz HRNWCVHCMSIRSZ-UHFFFAOYSA-N 2 0 403.527 -0.055 20 0 HBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000525452997 1071533216 /nfs/dbraw/zinc/53/32/16/1071533216.db2.gz HFIHHIUKOYAKHO-UHFFFAOYSA-N 2 0 418.542 -0.107 20 0 HBADRP CN1CCN(C(=O)CC2CCN([C@@H]3CC(=O)N(CCC[NH+](C)C)C3=O)CC2)CC1 ZINC000525688608 1068965200 /nfs/dbraw/zinc/96/52/00/1068965200.db2.gz GVFBSRQXIRWRHD-GOSISDBHSA-N 3 0 407.559 -0.058 20 0 HBADRP CN1CCN(C(=O)CC2CCN([C@H]3CC(=O)N(CCC[NH+](C)C)C3=O)CC2)CC1 ZINC000525688609 1068965362 /nfs/dbraw/zinc/96/53/62/1068965362.db2.gz GVFBSRQXIRWRHD-SFHVURJKSA-N 3 0 407.559 -0.058 20 0 HBADRP Cn1cnn(-c2ccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc2)c1=O ZINC000525882782 1068980671 /nfs/dbraw/zinc/98/06/71/1068980671.db2.gz BFZATJAFJLKJGF-UHFFFAOYSA-N 2 0 403.487 -0.539 20 0 HBADRP CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000525882853 1068980873 /nfs/dbraw/zinc/98/08/73/1068980873.db2.gz CJPOUFVKGDXLQP-UHFFFAOYSA-N 2 0 413.544 -0.207 20 0 HBADRP CNC(=O)[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c2ccccc2O1 ZINC000525882910 1068980592 /nfs/dbraw/zinc/98/05/92/1068980592.db2.gz BUNHZVRLIWXZQD-KRWDZBQOSA-N 2 0 405.499 -0.522 20 0 HBADRP CNC(=O)[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c2ccccc2O1 ZINC000525882911 1068980820 /nfs/dbraw/zinc/98/08/20/1068980820.db2.gz BUNHZVRLIWXZQD-QGZVFWFLSA-N 2 0 405.499 -0.522 20 0 HBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000526131947 1068999791 /nfs/dbraw/zinc/99/97/91/1068999791.db2.gz SVTIYORRDOHMGV-INIZCTEOSA-N 2 0 417.510 -0.218 20 0 HBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000526131948 1068999652 /nfs/dbraw/zinc/99/96/52/1068999652.db2.gz SVTIYORRDOHMGV-MRXNPFEDSA-N 2 0 417.510 -0.218 20 0 HBADRP Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1C ZINC000526132128 1068999506 /nfs/dbraw/zinc/99/95/06/1068999506.db2.gz ZNIVTNQINWQSEA-UHFFFAOYSA-N 2 0 413.544 -0.159 20 0 HBADRP COC(=O)[C@@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c2ccccc2O1 ZINC000527123932 1069024832 /nfs/dbraw/zinc/02/48/32/1069024832.db2.gz LKWIMZDPSQEIRH-KRWDZBQOSA-N 2 0 406.483 -0.095 20 0 HBADRP COC(=O)[C@H]1CN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c2ccccc2O1 ZINC000527123933 1069025352 /nfs/dbraw/zinc/02/53/52/1069025352.db2.gz LKWIMZDPSQEIRH-QGZVFWFLSA-N 2 0 406.483 -0.095 20 0 HBADRP CNS(=O)(=O)c1cccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1C ZINC000527123944 1069025366 /nfs/dbraw/zinc/02/53/66/1069025366.db2.gz RLQDVAOVRJVRKK-UHFFFAOYSA-N 2 0 413.544 -0.207 20 0 HBADRP CNS(=O)(=O)c1cc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccc1C ZINC000527124147 1069025449 /nfs/dbraw/zinc/02/54/49/1069025449.db2.gz GQLKHCGIPGMJSO-UHFFFAOYSA-N 2 0 413.544 -0.207 20 0 HBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 ZINC000527124225 1069025275 /nfs/dbraw/zinc/02/52/75/1069025275.db2.gz XUKPOXOMNINHSY-UHFFFAOYSA-N 2 0 418.498 -0.371 20 0 HBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 ZINC000527124246 1069025241 /nfs/dbraw/zinc/02/52/41/1069025241.db2.gz FLANLTVRAUASDN-UHFFFAOYSA-N 2 0 403.480 -0.637 20 0 HBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1 ZINC000527124414 1069025503 /nfs/dbraw/zinc/02/55/03/1069025503.db2.gz YESBFJQDFCGSGC-UHFFFAOYSA-N 2 0 413.544 -0.374 20 0 HBADRP CN1CC(=O)N(c2cccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c2)C1=O ZINC000527373819 1069036141 /nfs/dbraw/zinc/03/61/41/1069036141.db2.gz PXIXSWHCVHEPMV-UHFFFAOYSA-N 2 0 418.498 -0.025 20 0 HBADRP COc1ccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1-n1nnnc1C ZINC000527373830 1069035989 /nfs/dbraw/zinc/03/59/89/1069035989.db2.gz XLFLTNSIJSEEGN-UHFFFAOYSA-N 2 0 418.502 -0.130 20 0 HBADRP CCc1ccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1S(N)(=O)=O ZINC000527373888 1069036013 /nfs/dbraw/zinc/03/60/13/1069036013.db2.gz XCVATROVZBRIPQ-UHFFFAOYSA-N 2 0 413.544 -0.213 20 0 HBADRP CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000527374106 1069036051 /nfs/dbraw/zinc/03/60/51/1069036051.db2.gz KPPSGPKWBGCLOE-UHFFFAOYSA-N 2 0 413.544 -0.173 20 0 HBADRP COc1ccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1-n1cnnn1 ZINC000527374201 1069035445 /nfs/dbraw/zinc/03/54/45/1069035445.db2.gz DNOBGLBBUBDKSJ-UHFFFAOYSA-N 2 0 404.475 -0.439 20 0 HBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 ZINC000527374248 1069036063 /nfs/dbraw/zinc/03/60/63/1069036063.db2.gz RDTAEMRHHLOPQV-UHFFFAOYSA-N 2 0 418.498 -0.371 20 0 HBADRP C1=CC[NH+](CCNc2nc(NCC[N@H+]3CC=CCC3)nc(N3CCOCC3)n2)CC1 ZINC000530483716 1069079232 /nfs/dbraw/zinc/07/92/32/1069079232.db2.gz JQORCRUSBNOIGV-UHFFFAOYSA-N 2 0 414.558 -0.100 20 0 HBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000530641694 1069084963 /nfs/dbraw/zinc/08/49/63/1069084963.db2.gz AVROVJVYXMCIEY-UHFFFAOYSA-N 2 0 401.533 -0.399 20 0 HBADRP COc1c(F)cc(CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1S(N)(=O)=O ZINC000530881209 1069094215 /nfs/dbraw/zinc/09/42/15/1069094215.db2.gz CKPGEJYHAFNZCK-UHFFFAOYSA-N 2 0 404.508 -0.024 20 0 HBADRP Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000531118920 1069103088 /nfs/dbraw/zinc/10/30/88/1069103088.db2.gz ONBVVBVZXQYERN-AWEZNQCLSA-N 2 0 402.565 -0.344 20 0 HBADRP Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000531118923 1069103117 /nfs/dbraw/zinc/10/31/17/1069103117.db2.gz ONBVVBVZXQYERN-CQSZACIVSA-N 2 0 402.565 -0.344 20 0 HBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000531757294 1069124699 /nfs/dbraw/zinc/12/46/99/1069124699.db2.gz VHHGDYFOKOHQLG-UHFFFAOYSA-N 2 0 405.547 -0.143 20 0 HBADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000532166408 1069146574 /nfs/dbraw/zinc/14/65/74/1069146574.db2.gz WUZXIBYPEYLFMD-UHFFFAOYSA-N 2 0 406.574 -0.280 20 0 HBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)cn1 ZINC000532274841 1071158653 /nfs/dbraw/zinc/15/86/53/1071158653.db2.gz BNUACVCBOINALP-UHFFFAOYSA-N 2 0 421.546 -0.168 20 0 HBADRP C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000532749532 1069234826 /nfs/dbraw/zinc/23/48/26/1069234826.db2.gz DYRVIVIMDYZEFG-AWEZNQCLSA-N 2 0 413.544 -0.596 20 0 HBADRP C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000532749533 1069234734 /nfs/dbraw/zinc/23/47/34/1069234734.db2.gz DYRVIVIMDYZEFG-CQSZACIVSA-N 2 0 413.544 -0.596 20 0 HBADRP CC[NH+]1CCCN(CC(=O)N2CCN(C(=O)CN3CCC[N@@H+](CC)CC3)CC2)CC1 ZINC000532943332 1069247492 /nfs/dbraw/zinc/24/74/92/1069247492.db2.gz KHWWXVCOZUFIRS-UHFFFAOYSA-N 2 0 422.618 -0.288 20 0 HBADRP C[NH+](C)[C@@H]1CCCN(CC(=O)N2CCN(C(=O)CN3CCC[C@H]([NH+](C)C)C3)CC2)C1 ZINC000533275591 1069271092 /nfs/dbraw/zinc/27/10/92/1069271092.db2.gz NWWBEAXAUPOZIU-BGYRXZFFSA-N 2 0 422.618 -0.291 20 0 HBADRP C[NH+](C)[C@H]1CCCN(CC(=O)N2CCN(C(=O)CN3CCC[C@H]([NH+](C)C)C3)CC2)C1 ZINC000533275602 1069270985 /nfs/dbraw/zinc/27/09/85/1069270985.db2.gz NWWBEAXAUPOZIU-PMACEKPBSA-N 2 0 422.618 -0.291 20 0 HBADRP C[NH+](C)[C@@H]1CCCN(CC(=O)N2CCN(C(=O)CN3CCC[C@@H]([NH+](C)C)C3)CC2)C1 ZINC000533275603 1069270737 /nfs/dbraw/zinc/27/07/37/1069270737.db2.gz NWWBEAXAUPOZIU-WOJBJXKFSA-N 2 0 422.618 -0.291 20 0 HBADRP CC[NH+]1CCN([C@H]2CC[N@H+](CCCn3c(=O)c4c(ncn4C)n(C)c3=O)C2)CC1 ZINC000533279521 1069273299 /nfs/dbraw/zinc/27/32/99/1069273299.db2.gz GAIZUUWUCHTXLO-INIZCTEOSA-N 2 0 403.531 -0.464 20 0 HBADRP CC[NH+]1CCN([C@@H]2CC[N@H+](CCCn3c(=O)c4c(ncn4C)n(C)c3=O)C2)CC1 ZINC000533279522 1069273344 /nfs/dbraw/zinc/27/33/44/1069273344.db2.gz GAIZUUWUCHTXLO-MRXNPFEDSA-N 2 0 403.531 -0.464 20 0 HBADRP O=C1NCCN1[C@@H]1CCC[NH+](CCOCC[N@H+]2CCC[C@H](N3CCNC3=O)C2)C1 ZINC000533354951 1069277844 /nfs/dbraw/zinc/27/78/44/1069277844.db2.gz OBZJPVTZEIEVCT-HDICACEKSA-N 2 0 408.547 -0.018 20 0 HBADRP O=C1NCCN1[C@@H]1CCC[NH+](CCOCC[N@H+]2CCC[C@@H](N3CCNC3=O)C2)C1 ZINC000533354952 1069277749 /nfs/dbraw/zinc/27/77/49/1069277749.db2.gz OBZJPVTZEIEVCT-QZTJIDSGSA-N 2 0 408.547 -0.018 20 0 HBADRP O=C1NCCN1[C@H]1CCC[NH+](CCOCC[N@H+]2CCC[C@H](N3CCNC3=O)C2)C1 ZINC000533354953 1069277946 /nfs/dbraw/zinc/27/79/46/1069277946.db2.gz OBZJPVTZEIEVCT-ROUUACIJSA-N 2 0 408.547 -0.018 20 0 HBADRP O=C(C[NH+]1CCC(CCO)CC1)N1CCN(C(=O)C[NH+]2CCC(CCO)CC2)CC1 ZINC000533418613 1069284156 /nfs/dbraw/zinc/28/41/56/1069284156.db2.gz LDKZXEIKRUHGJG-UHFFFAOYSA-N 2 0 424.586 -0.154 20 0 HBADRP C[N@H+](CCCN1C(=O)CNC1=O)[C@H]1CCCN(CCCN2C(=O)CNC2=O)CC1 ZINC000533607616 1069299803 /nfs/dbraw/zinc/29/98/03/1069299803.db2.gz MYRYGVNPQAHAIR-HNNXBMFYSA-N 2 0 408.503 -0.344 20 0 HBADRP C[N@H+](CCCN1C(=O)CNC1=O)[C@@H]1CCCN(CCCN2C(=O)CNC2=O)CC1 ZINC000533607618 1069299672 /nfs/dbraw/zinc/29/96/72/1069299672.db2.gz MYRYGVNPQAHAIR-OAHLLOKOSA-N 2 0 408.503 -0.344 20 0 HBADRP C[NH+](C)C[C@](C)(O)CNC(=O)[C@@H]1CCCC[C@H]1C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000534202319 1071205002 /nfs/dbraw/zinc/20/50/02/1071205002.db2.gz JHOVUTYPRSCMQY-SMOSDQRPSA-N 2 0 400.564 -0.350 20 0 HBADRP C[NH+](C)C[C@](C)(O)CNC(=O)[C@@H]1CCCC[C@H]1C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000534202320 1071205093 /nfs/dbraw/zinc/20/50/93/1071205093.db2.gz JHOVUTYPRSCMQY-XNFNUYLZSA-N 2 0 400.564 -0.350 20 0 HBADRP C[NH+](C)C[C@@](C)(O)CNC(=O)[C@@H]1CCCC[C@H]1C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000534202321 1071205031 /nfs/dbraw/zinc/20/50/31/1071205031.db2.gz JHOVUTYPRSCMQY-YKCBXCCJSA-N 2 0 400.564 -0.350 20 0 HBADRP CS(=O)(=O)N1CCC[NH+](CCCC[N@H+]2CCCN(S(C)(=O)=O)CC2)CC1 ZINC000534272851 1071208835 /nfs/dbraw/zinc/20/88/35/1071208835.db2.gz OYLUNCUQWWYLMB-UHFFFAOYSA-N 2 0 410.606 -0.299 20 0 HBADRP CNS(=O)(=O)C[C@@H]1CCC[NH+]1CCCC[N@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000534273606 1071208582 /nfs/dbraw/zinc/20/85/82/1071208582.db2.gz WFVDWRQTZDMIFJ-HOTGVXAUSA-N 2 0 410.606 -0.206 20 0 HBADRP CNS(=O)(=O)C[C@H]1CCC[NH+]1CCCC[N@H+]1CCC[C@@H]1CS(=O)(=O)NC ZINC000534273607 1071208416 /nfs/dbraw/zinc/20/84/16/1071208416.db2.gz WFVDWRQTZDMIFJ-HZPDHXFCSA-N 2 0 410.606 -0.206 20 0 HBADRP CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CCCC[NH+]1CCC[C@H]1CS(=O)(=O)NC ZINC000534273608 1071208737 /nfs/dbraw/zinc/20/87/37/1071208737.db2.gz WFVDWRQTZDMIFJ-IYBDPMFKSA-N 2 0 410.606 -0.206 20 0 HBADRP O=C(NC[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)C1)[C@@H]1C[NH+]2CCN1CCC2 ZINC000534274202 1071208529 /nfs/dbraw/zinc/20/85/29/1071208529.db2.gz SBYHZEBTWHJPNS-SLFFLAALSA-N 2 0 418.586 -0.879 20 0 HBADRP O=C(NC[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)C1)[C@@H]1C[NH+]2CCN1CCC2 ZINC000534274203 1071208637 /nfs/dbraw/zinc/20/86/37/1071208637.db2.gz SBYHZEBTWHJPNS-UFYCRDLUSA-N 2 0 418.586 -0.879 20 0 HBADRP O=C(NC[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)C1)[C@H]1C[NH+]2CCN1CCC2 ZINC000534274204 1071208887 /nfs/dbraw/zinc/20/88/87/1071208887.db2.gz SBYHZEBTWHJPNS-XUVXKRRUSA-N 2 0 418.586 -0.879 20 0 HBADRP O=C(NC[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)C1)[C@H]1C[NH+]2CCN1CCC2 ZINC000534274205 1071208477 /nfs/dbraw/zinc/20/84/77/1071208477.db2.gz SBYHZEBTWHJPNS-ZCNNSNEGSA-N 2 0 418.586 -0.879 20 0 HBADRP C[C@@H](O)[C@@H]1CCC[N@H+](CC(=O)N2CCN(C(=O)C[NH+]3CCC[C@@H]([C@H](C)O)C3)CC2)C1 ZINC000534845958 1071232208 /nfs/dbraw/zinc/23/22/08/1071232208.db2.gz GPBMKAQNHXYKBJ-IYWMVGAKSA-N 2 0 424.586 -0.157 20 0 HBADRP C[C@@H](O)[C@H]1CCC[N@H+](CC(=O)N2CCN(C(=O)C[NH+]3CCC[C@@H]([C@H](C)O)C3)CC2)C1 ZINC000534845959 1071232033 /nfs/dbraw/zinc/23/20/33/1071232033.db2.gz GPBMKAQNHXYKBJ-JVSBHGNQSA-N 2 0 424.586 -0.157 20 0 HBADRP C[C@H](O)[C@@H]1CCC[NH+](CC(=O)N2CCN(C(=O)C[N@H+]3CCC[C@H]([C@H](C)O)C3)CC2)C1 ZINC000534845960 1071232172 /nfs/dbraw/zinc/23/21/72/1071232172.db2.gz GPBMKAQNHXYKBJ-LWYYNNOASA-N 2 0 424.586 -0.157 20 0 HBADRP C[C@H](O)[C@@H]1CCC[NH+](CC(=O)N2CCN(C(=O)C[N@H+]3CCC[C@@H]([C@H](C)O)C3)CC2)C1 ZINC000534845961 1071232973 /nfs/dbraw/zinc/23/29/73/1071232973.db2.gz GPBMKAQNHXYKBJ-VNTMZGSJSA-N 2 0 424.586 -0.157 20 0 HBADRP CNS(=O)(=O)[C@H]1CCC[NH+](CCCC[N@H+]2CCC[C@H](S(=O)(=O)NC)C2)C1 ZINC000535008841 1071240019 /nfs/dbraw/zinc/24/00/19/1071240019.db2.gz BHDPBAGJZRGODA-HOTGVXAUSA-N 2 0 410.606 -0.206 20 0 HBADRP CNS(=O)(=O)[C@@H]1CCC[NH+](CCCC[N@H+]2CCC[C@@H](S(=O)(=O)NC)C2)C1 ZINC000535008842 1071239909 /nfs/dbraw/zinc/23/99/09/1071239909.db2.gz BHDPBAGJZRGODA-HZPDHXFCSA-N 2 0 410.606 -0.206 20 0 HBADRP CNS(=O)(=O)[C@@H]1CCC[NH+](CCCC[N@H+]2CCC[C@H](S(=O)(=O)NC)C2)C1 ZINC000535008843 1071240122 /nfs/dbraw/zinc/24/01/22/1071240122.db2.gz BHDPBAGJZRGODA-IYBDPMFKSA-N 2 0 410.606 -0.206 20 0 HBADRP CN(CCCCNC(=O)[C@H]1C[N@@H+]2CCN1CCC2)C(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000535017679 1071240871 /nfs/dbraw/zinc/24/08/71/1071240871.db2.gz GAQPHXZCLBDZKL-MOPGFXCFSA-N 2 0 406.575 -0.879 20 0 HBADRP CN(CCCCNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)C(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000535017683 1071240961 /nfs/dbraw/zinc/24/09/61/1071240961.db2.gz GAQPHXZCLBDZKL-OALUTQOASA-N 2 0 406.575 -0.879 20 0 HBADRP CN(CCCCNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)C(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000535017684 1071240756 /nfs/dbraw/zinc/24/07/56/1071240756.db2.gz GAQPHXZCLBDZKL-RBUKOAKNSA-N 2 0 406.575 -0.879 20 0 HBADRP CN(CCCCNC(=O)[C@H]1C[N@@H+]2CCN1CCC2)C(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000535017685 1071241135 /nfs/dbraw/zinc/24/11/35/1071241135.db2.gz GAQPHXZCLBDZKL-RTBURBONSA-N 2 0 406.575 -0.879 20 0 HBADRP CN(CC[NH+]1CCCC1)CC(=O)N1CCN(C(=O)CN(C)CC[NH+]2CCCC2)CC1 ZINC000535566531 1071021912 /nfs/dbraw/zinc/02/19/12/1071021912.db2.gz IFYSVWIIRWBRRS-UHFFFAOYSA-N 2 0 422.618 -0.288 20 0 HBADRP C[NH+]1CCN(CCNC(=O)[C@@H]2CCCC[C@H]2C(=O)NCCN2CC[NH+](C)CC2)CC1 ZINC000535590538 1071263371 /nfs/dbraw/zinc/26/33/71/1071263371.db2.gz ZTWVWJCYTDLLAT-WOJBJXKFSA-N 2 0 422.618 -0.480 20 0 HBADRP CN(CC(C)(C)CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2)C(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000535727182 1068594326 /nfs/dbraw/zinc/59/43/26/1068594326.db2.gz UPXSPCGJFXRYLZ-MOPGFXCFSA-N 2 0 420.602 -0.633 20 0 HBADRP CN(CC(C)(C)CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)C(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000535727183 1068594749 /nfs/dbraw/zinc/59/47/49/1068594749.db2.gz UPXSPCGJFXRYLZ-OALUTQOASA-N 2 0 420.602 -0.633 20 0 HBADRP CN(CC(C)(C)CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)C(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000535727184 1068594670 /nfs/dbraw/zinc/59/46/70/1068594670.db2.gz UPXSPCGJFXRYLZ-RBUKOAKNSA-N 2 0 420.602 -0.633 20 0 HBADRP CN(CC(C)(C)CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2)C(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000535727185 1068594401 /nfs/dbraw/zinc/59/44/01/1068594401.db2.gz UPXSPCGJFXRYLZ-RTBURBONSA-N 2 0 420.602 -0.633 20 0 HBADRP O=C(N[C@H]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCN2CCC3)CC1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000535729701 1068594613 /nfs/dbraw/zinc/59/46/13/1068594613.db2.gz KKZCXOPBPTZYKH-HKJRMUSSSA-N 2 0 418.586 -0.690 20 0 HBADRP O=C(N[C@H]1CC[C@H](NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC1)[C@@H]1C[NH+]2CCN1CCC2 ZINC000535729712 1068594588 /nfs/dbraw/zinc/59/45/88/1068594588.db2.gz KKZCXOPBPTZYKH-MUGJNUQGSA-N 2 0 418.586 -0.690 20 0 HBADRP O=C(N[C@H]1CC[C@H](NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1)[C@H]1C[NH+]2CCN1CCC2 ZINC000535729715 1068594491 /nfs/dbraw/zinc/59/44/91/1068594491.db2.gz KKZCXOPBPTZYKH-UAFMIMERSA-N 2 0 418.586 -0.690 20 0 HBADRP C[NH+](CC(=O)N1CCN(C(=O)C[N@H+](C)C[C@H]2CCC[C@H]2O)CC1)C[C@@H]1CCC[C@@H]1O ZINC000535878283 1068607518 /nfs/dbraw/zinc/60/75/18/1068607518.db2.gz ZISCMHNQHPNOHY-FGYAAKKASA-N 2 0 424.586 -0.157 20 0 HBADRP C[NH+](CC(=O)N1CCN(C(=O)C[N@H+](C)C[C@@H]2CCC[C@@H]2O)CC1)C[C@@H]1CCC[C@H]1O ZINC000535878288 1068607291 /nfs/dbraw/zinc/60/72/91/1068607291.db2.gz ZISCMHNQHPNOHY-LWYYNNOASA-N 2 0 424.586 -0.157 20 0 HBADRP C[NH+](CC(=O)N1CCN(C(=O)C[N@H+](C)C[C@@H]2CCC[C@@H]2O)CC1)C[C@@H]1CCC[C@@H]1O ZINC000535878291 1068607314 /nfs/dbraw/zinc/60/73/14/1068607314.db2.gz ZISCMHNQHPNOHY-MUGJNUQGSA-N 2 0 424.586 -0.157 20 0 HBADRP C[NH+](CC(=O)N1CCN(C(=O)C[N@H+](C)C[C@H]2CCC[C@@H]2O)CC1)C[C@@H]1CCC[C@@H]1O ZINC000535878295 1068607210 /nfs/dbraw/zinc/60/72/10/1068607210.db2.gz ZISCMHNQHPNOHY-YRPNKDGESA-N 2 0 424.586 -0.157 20 0 HBADRP CC[C@@H](CO)[NH+]1CCN(C(=O)CCCC(=O)N2CC[NH+]([C@@H](CC)CO)CC2)CC1 ZINC000536224759 1069202542 /nfs/dbraw/zinc/20/25/42/1069202542.db2.gz GVLRHIDSBZLMGA-OALUTQOASA-N 2 0 412.575 -0.013 20 0 HBADRP CC[C@H](CO)[NH+]1CCN(C(=O)CCCC(=O)N2CC[NH+]([C@H](CC)CO)CC2)CC1 ZINC000536224761 1069202464 /nfs/dbraw/zinc/20/24/64/1069202464.db2.gz GVLRHIDSBZLMGA-RTBURBONSA-N 2 0 412.575 -0.013 20 0 HBADRP C[NH+]1CCC(O)(CNC(=O)[C@@H]2CCCC[C@H]2C(=O)NCC2(O)CC[NH+](C)CC2)CC1 ZINC000536389249 1070657876 /nfs/dbraw/zinc/65/78/76/1070657876.db2.gz CXYVWKSMJOSJLB-QZTJIDSGSA-N 2 0 424.586 -0.061 20 0 HBADRP CCNS(=O)(=O)[C@H]1CC[NH+](CCCC[N@H+]2CC[C@H](S(=O)(=O)NCC)C2)C1 ZINC000536565956 1069216448 /nfs/dbraw/zinc/21/64/48/1069216448.db2.gz WTIXEPKGCCTLCD-HOTGVXAUSA-N 2 0 410.606 -0.206 20 0 HBADRP CCNS(=O)(=O)[C@@H]1CC[NH+](CCCC[N@H+]2CC[C@@H](S(=O)(=O)NCC)C2)C1 ZINC000536565959 1069216191 /nfs/dbraw/zinc/21/61/91/1069216191.db2.gz WTIXEPKGCCTLCD-HZPDHXFCSA-N 2 0 410.606 -0.206 20 0 HBADRP CCNS(=O)(=O)[C@@H]1CC[NH+](CCCC[N@H+]2CC[C@H](S(=O)(=O)NCC)C2)C1 ZINC000536565961 1069216133 /nfs/dbraw/zinc/21/61/33/1069216133.db2.gz WTIXEPKGCCTLCD-IYBDPMFKSA-N 2 0 410.606 -0.206 20 0 HBADRP C[C@@H]1[C@H](C)[NH+](C)CCN1CC(=O)N1CCN(C(=O)CN2CC[N@@H+](C)[C@H](C)[C@@H]2C)CC1 ZINC000536740226 1069328198 /nfs/dbraw/zinc/32/81/98/1069328198.db2.gz IQEFOSIRWHGZKB-JVSBHGNQSA-N 2 0 422.618 -0.294 20 0 HBADRP C[C@@H]1[C@@H](C)[NH+](C)CCN1CC(=O)N1CCN(C(=O)CN2CC[N@@H+](C)[C@H](C)[C@@H]2C)CC1 ZINC000536740227 1069327960 /nfs/dbraw/zinc/32/79/60/1069327960.db2.gz IQEFOSIRWHGZKB-WTGUMLROSA-N 2 0 422.618 -0.294 20 0 HBADRP C[C@@H]1[C@H](C)N(CC(=O)N2CCN(C(=O)CN3CC[N@@H+](C)[C@@H](C)[C@@H]3C)CC2)CC[NH+]1C ZINC000536740228 1069328132 /nfs/dbraw/zinc/32/81/32/1069328132.db2.gz IQEFOSIRWHGZKB-YRPNKDGESA-N 2 0 422.618 -0.294 20 0 HBADRP C[C@@H]1[C@H](C)N(CC(=O)N2CCN(C(=O)CN3CC[N@@H+](C)[C@H](C)[C@@H]3C)CC2)CC[NH+]1C ZINC000536740229 1069327802 /nfs/dbraw/zinc/32/78/02/1069327802.db2.gz IQEFOSIRWHGZKB-ZRNYENFQSA-N 2 0 422.618 -0.294 20 0 HBADRP C[NH+]1CCN(CCNC(=O)c2cccc(C(=O)NCCN3CC[NH+](C)CC3)c2)CC1 ZINC000537148392 1069344297 /nfs/dbraw/zinc/34/42/97/1069344297.db2.gz XNTHDJNJELGCBL-UHFFFAOYSA-N 2 0 416.570 -0.359 20 0 HBADRP COCCNc1nc(NC[C@H]2CCC[NH+](C)C2)nc(NC[C@H]2CCC[N@H+](C)C2)n1 ZINC000538086531 1069633324 /nfs/dbraw/zinc/63/33/24/1069633324.db2.gz KEMWJBZWKBNKBG-IAGOWNOFSA-N 2 0 406.579 -0.297 20 0 HBADRP COCCNc1nc(NC[C@@H]2CCC[NH+](C)C2)nc(NC[C@@H]2CCC[N@H+](C)C2)n1 ZINC000538086532 1069633490 /nfs/dbraw/zinc/63/34/90/1069633490.db2.gz KEMWJBZWKBNKBG-IRXDYDNUSA-N 2 0 406.579 -0.297 20 0 HBADRP NS(=O)(=O)c1cnn(CC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000538417990 1069663377 /nfs/dbraw/zinc/66/33/77/1069663377.db2.gz XLOAOZMYJGSVSE-UHFFFAOYSA-N 2 0 407.500 -0.746 20 0 HBADRP C[C@H]1CN(CCCCN2CCN(S(C)(=O)=O)[C@@H](C)C2)CCN1S(C)(=O)=O ZINC000540672945 1071380701 /nfs/dbraw/zinc/38/07/01/1071380701.db2.gz MYQJMEAYCQIFIS-HOTGVXAUSA-N 2 0 410.606 -0.302 20 0 HBADRP C[C@H]([NH2+]CC(=O)N1CCN(C(=O)C[NH2+][C@@H](C)c2cnn(C)c2)CC1)c1cnn(C)c1 ZINC000541643121 1071463743 /nfs/dbraw/zinc/46/37/43/1071463743.db2.gz OKCANWUPOJOFDU-HOTGVXAUSA-N 2 0 416.530 -0.174 20 0 HBADRP C[C@@H]([NH2+]CC(=O)N1CCN(C(=O)C[NH2+][C@H](C)c2cnn(C)c2)CC1)c1cnn(C)c1 ZINC000541643123 1071463874 /nfs/dbraw/zinc/46/38/74/1071463874.db2.gz OKCANWUPOJOFDU-HZPDHXFCSA-N 2 0 416.530 -0.174 20 0 HBADRP C[C@@H]([NH2+]CC(=O)N1CCN(C(=O)C[NH2+][C@@H](C)c2cnn(C)c2)CC1)c1cnn(C)c1 ZINC000541643125 1071463777 /nfs/dbraw/zinc/46/37/77/1071463777.db2.gz OKCANWUPOJOFDU-IYBDPMFKSA-N 2 0 416.530 -0.174 20 0 HBADRP CN(CCCNC(=O)C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1)S(C)(=O)=O ZINC000541662926 1071464655 /nfs/dbraw/zinc/46/46/55/1071464655.db2.gz RGSVNPZWPSBIBZ-UHFFFAOYSA-N 2 0 417.620 -0.266 20 0 HBADRP CN(C)C(=O)CN1CCN(C(=O)C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)CC1 ZINC000541665046 1071465199 /nfs/dbraw/zinc/46/51/99/1071465199.db2.gz HRPLFFNYYAQAHH-UHFFFAOYSA-N 2 0 422.618 -0.432 20 0 HBADRP O=C(CN1CCOCC2(CC2)C1)N1CCN(C(=O)CN2CCOCC3(CC3)C2)CC1 ZINC000542055033 1071503729 /nfs/dbraw/zinc/50/37/29/1071503729.db2.gz JSWXJGNTZVXKAG-UHFFFAOYSA-N 2 0 420.554 -0.118 20 0 HBADRP O=C(C[NH+]1C[C@@H]2CC[C@H](O)[C@@H]2C1)N1CCN(C(=O)C[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)CC1 ZINC000543180823 1069309852 /nfs/dbraw/zinc/30/98/52/1069309852.db2.gz CHHLZRLOGLQRGT-GTYQWKCWSA-N 2 0 420.554 -0.937 20 0 HBADRP O=C(C[NH+]1C[C@@H]2CC[C@@H](O)[C@H]2C1)N1CCN(C(=O)C[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)CC1 ZINC000543180825 1069309485 /nfs/dbraw/zinc/30/94/85/1069309485.db2.gz CHHLZRLOGLQRGT-KYRVCDIISA-N 2 0 420.554 -0.937 20 0 HBADRP O=C(C[NH+]1C[C@@H]2CC[C@H](O)[C@H]2C1)N1CCN(C(=O)C[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)CC1 ZINC000543180828 1069309344 /nfs/dbraw/zinc/30/93/44/1069309344.db2.gz CHHLZRLOGLQRGT-OROIIQQLSA-N 2 0 420.554 -0.937 20 0 HBADRP O=C(C[NH+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1)N1CCN(C(=O)C[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)CC1 ZINC000543180830 1069309947 /nfs/dbraw/zinc/30/99/47/1069309947.db2.gz CHHLZRLOGLQRGT-YDETXVTLSA-N 2 0 420.554 -0.937 20 0 HBADRP CN1CC[NH+](CC2(C)CC[NH+](CCn3cnc4c3c(=O)n(C)c(=O)n4C)CC2)CC1 ZINC000543521508 1069418344 /nfs/dbraw/zinc/41/83/44/1069418344.db2.gz DXLLWZOUOIZIFN-UHFFFAOYSA-N 2 0 417.558 -0.217 20 0 HBADRP CC1=CC[N@H+](CCNC(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CC1 ZINC000545154830 1072061639 /nfs/dbraw/zinc/06/16/39/1072061639.db2.gz XTOUMODMPCIXFR-UHFFFAOYSA-N 2 0 405.503 -0.732 20 0 HBADRP C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)C(=O)NC[C@@]3(O)CC[N@H+](C)C3)cc21 ZINC000545168021 1072062982 /nfs/dbraw/zinc/06/29/82/1072062982.db2.gz USMZFRVIIZHJBS-IBGZPJMESA-N 2 0 405.455 -0.723 20 0 HBADRP C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)C(=O)NC[C@]3(O)CC[N@H+](C)C3)cc21 ZINC000545168022 1072063116 /nfs/dbraw/zinc/06/31/16/1072063116.db2.gz USMZFRVIIZHJBS-LJQANCHMSA-N 2 0 405.455 -0.723 20 0 HBADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)NC[C@@]2(O)CC[N@H+](C)C2)c1 ZINC000545173123 1072063060 /nfs/dbraw/zinc/06/30/60/1072063060.db2.gz XAWBFMZACJUGRJ-NRFANRHFSA-N 2 0 419.526 -0.121 20 0 HBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000545402169 1072080506 /nfs/dbraw/zinc/08/05/06/1072080506.db2.gz MBYSZYZDORMHAZ-INIZCTEOSA-N 2 0 401.471 -0.461 20 0 HBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000545402170 1072080516 /nfs/dbraw/zinc/08/05/16/1072080516.db2.gz MBYSZYZDORMHAZ-MRXNPFEDSA-N 2 0 401.471 -0.461 20 0 HBADRP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000547808572 1068298845 /nfs/dbraw/zinc/29/88/45/1068298845.db2.gz LOBCLAOKPCOVPL-UHFFFAOYSA-N 2 0 404.558 -0.020 20 0 HBADRP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000548464560 1068580139 /nfs/dbraw/zinc/58/01/39/1068580139.db2.gz USFPPMGCDFNCLU-UHFFFAOYSA-N 2 0 409.512 -0.137 20 0 HBADRP O=C(NCCCN1CCOCC1)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000549875116 1069408478 /nfs/dbraw/zinc/40/84/78/1069408478.db2.gz DHJYIXSXIZOPQS-UHFFFAOYSA-N 2 0 417.554 -0.241 20 0 HBADRP C[NH+]1CCC(NC(=O)C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000549994255 1070083242 /nfs/dbraw/zinc/08/32/42/1070083242.db2.gz XOYWKPWQXDEEJC-UHFFFAOYSA-N 2 0 403.531 -0.295 20 0 HBADRP COc1cccc([C@@H](CNC(=O)C(=O)NCCC(=O)N2CCN(C)CC2)[NH+](C)C)c1 ZINC000550027472 1070348342 /nfs/dbraw/zinc/34/83/42/1070348342.db2.gz DPDLTYCVIQHYBZ-GOSISDBHSA-N 2 0 419.526 -0.306 20 0 HBADRP COc1cccc([C@H](CNC(=O)C(=O)NCCC(=O)N2CCN(C)CC2)[NH+](C)C)c1 ZINC000550027476 1070348722 /nfs/dbraw/zinc/34/87/22/1070348722.db2.gz DPDLTYCVIQHYBZ-SFHVURJKSA-N 2 0 419.526 -0.306 20 0 HBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NC[C@H]3C[N@H+](CC(C)C)CCO3)C2)CC1 ZINC000550093501 1070384197 /nfs/dbraw/zinc/38/41/97/1070384197.db2.gz AVNMXDRDYWOHDJ-MOPGFXCFSA-N 2 0 409.575 -0.302 20 0 HBADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NC[C@H]3C[N@H+](CC(C)C)CCO3)C2)CC1 ZINC000550093502 1070383940 /nfs/dbraw/zinc/38/39/40/1070383940.db2.gz AVNMXDRDYWOHDJ-OALUTQOASA-N 2 0 409.575 -0.302 20 0 HBADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NC[C@@H]3C[N@H+](CC(C)C)CCO3)C2)CC1 ZINC000550093503 1070383660 /nfs/dbraw/zinc/38/36/60/1070383660.db2.gz AVNMXDRDYWOHDJ-RBUKOAKNSA-N 2 0 409.575 -0.302 20 0 HBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NC[C@@H]3C[N@H+](CC(C)C)CCO3)C2)CC1 ZINC000550093504 1070384681 /nfs/dbraw/zinc/38/46/81/1070384681.db2.gz AVNMXDRDYWOHDJ-RTBURBONSA-N 2 0 409.575 -0.302 20 0 HBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)C1 ZINC000550095933 1070387411 /nfs/dbraw/zinc/38/74/11/1070387411.db2.gz IZTLKACXYTWANF-AQNXPRMDSA-N 2 0 423.602 -0.056 20 0 HBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)C1 ZINC000550095935 1070387118 /nfs/dbraw/zinc/38/71/18/1070387118.db2.gz IZTLKACXYTWANF-VAMGGRTRSA-N 2 0 423.602 -0.056 20 0 HBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)C1 ZINC000550095937 1070387536 /nfs/dbraw/zinc/38/75/36/1070387536.db2.gz IZTLKACXYTWANF-XUVXKRRUSA-N 2 0 423.602 -0.056 20 0 HBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)C1 ZINC000550095939 1070387360 /nfs/dbraw/zinc/38/73/60/1070387360.db2.gz IZTLKACXYTWANF-ZCNNSNEGSA-N 2 0 423.602 -0.056 20 0 HBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000550292492 1070518015 /nfs/dbraw/zinc/51/80/15/1070518015.db2.gz UIQYJBCDLBUFNY-GOSISDBHSA-N 2 0 418.542 -0.323 20 0 HBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000550292493 1070518284 /nfs/dbraw/zinc/51/82/84/1070518284.db2.gz UIQYJBCDLBUFNY-SFHVURJKSA-N 2 0 418.542 -0.323 20 0 HBADRP COCC[NH+]1CCC(NC(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000550293478 1070526035 /nfs/dbraw/zinc/52/60/35/1070526035.db2.gz OJXJIJFITYQVLB-UHFFFAOYSA-N 2 0 418.542 -0.323 20 0 HBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000550294364 1070527871 /nfs/dbraw/zinc/52/78/71/1070527871.db2.gz FYLLDJSTPDLWLN-UHFFFAOYSA-N 2 0 406.531 -0.514 20 0 HBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC1CCN(C(=O)c2ccco2)CC1 ZINC000550324547 1070612668 /nfs/dbraw/zinc/61/26/68/1070612668.db2.gz VOIXPVNYRAKZSC-UHFFFAOYSA-N 2 0 407.515 -0.048 20 0 HBADRP CC(C)[C@H](CNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)N1CC[NH+](C)CC1 ZINC000550381959 1070634529 /nfs/dbraw/zinc/63/45/29/1070634529.db2.gz OSWWCYHTJXYJOY-MOPGFXCFSA-N 2 0 411.591 -0.008 20 0 HBADRP CC(C)[C@H](CNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC000550381960 1070634781 /nfs/dbraw/zinc/63/47/81/1070634781.db2.gz OSWWCYHTJXYJOY-OALUTQOASA-N 2 0 411.591 -0.008 20 0 HBADRP CC(C)[C@@H](CNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC000550381961 1070634566 /nfs/dbraw/zinc/63/45/66/1070634566.db2.gz OSWWCYHTJXYJOY-RBUKOAKNSA-N 2 0 411.591 -0.008 20 0 HBADRP CC(C)[C@@H](CNC(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)N1CC[NH+](C)CC1 ZINC000550381962 1070634693 /nfs/dbraw/zinc/63/46/93/1070634693.db2.gz OSWWCYHTJXYJOY-RTBURBONSA-N 2 0 411.591 -0.008 20 0 HBADRP CC(C)[C@H](CNC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)N1CC[NH+](C)CC1 ZINC000550382599 1070633716 /nfs/dbraw/zinc/63/37/16/1070633716.db2.gz WMFXALMBDTVPJD-MOPGFXCFSA-N 2 0 411.591 -0.056 20 0 HBADRP CC(C)[C@H](CNC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)N1CC[NH+](C)CC1 ZINC000550382600 1070633619 /nfs/dbraw/zinc/63/36/19/1070633619.db2.gz WMFXALMBDTVPJD-OALUTQOASA-N 2 0 411.591 -0.056 20 0 HBADRP CC(C)[C@@H](CNC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)N1CC[NH+](C)CC1 ZINC000550382601 1070633753 /nfs/dbraw/zinc/63/37/53/1070633753.db2.gz WMFXALMBDTVPJD-RBUKOAKNSA-N 2 0 411.591 -0.056 20 0 HBADRP CC(C)[C@@H](CNC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)N1CC[NH+](C)CC1 ZINC000550382602 1070633836 /nfs/dbraw/zinc/63/38/36/1070633836.db2.gz WMFXALMBDTVPJD-RTBURBONSA-N 2 0 411.591 -0.056 20 0 HBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000550408481 1070648793 /nfs/dbraw/zinc/64/87/93/1070648793.db2.gz OSBODVXPZSVHPK-FQEVSTJZSA-N 2 0 416.570 -0.718 20 0 HBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000550408482 1070648727 /nfs/dbraw/zinc/64/87/27/1070648727.db2.gz OSBODVXPZSVHPK-HXUWFJFHSA-N 2 0 416.570 -0.718 20 0 HBADRP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000550444391 1069545351 /nfs/dbraw/zinc/54/53/51/1069545351.db2.gz SPHNZSYJUJZZBC-JWTNVVGKSA-N 2 0 417.558 0.153 20 0 HBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)C1 ZINC000550457598 1070903116 /nfs/dbraw/zinc/90/31/16/1070903116.db2.gz GDWUGFZKKAHUBJ-FQEVSTJZSA-N 2 0 423.602 -0.055 20 0 HBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)C1 ZINC000550457600 1070903293 /nfs/dbraw/zinc/90/32/93/1070903293.db2.gz GDWUGFZKKAHUBJ-HXUWFJFHSA-N 2 0 423.602 -0.055 20 0 HBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000550458179 1070901814 /nfs/dbraw/zinc/90/18/14/1070901814.db2.gz VRMQONODYZMSAX-MSOLQXFVSA-N 2 0 423.558 -0.776 20 0 HBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000550458180 1070901611 /nfs/dbraw/zinc/90/16/11/1070901611.db2.gz VRMQONODYZMSAX-QZTJIDSGSA-N 2 0 423.558 -0.776 20 0 HBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000550458181 1070901366 /nfs/dbraw/zinc/90/13/66/1070901366.db2.gz VRMQONODYZMSAX-ROUUACIJSA-N 2 0 423.558 -0.776 20 0 HBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000550458182 1070901521 /nfs/dbraw/zinc/90/15/21/1070901521.db2.gz VRMQONODYZMSAX-ZWKOTPCHSA-N 2 0 423.558 -0.776 20 0 HBADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)CC1 ZINC000550479368 1071021877 /nfs/dbraw/zinc/02/18/77/1071021877.db2.gz ICPIPWWBOSYDOD-UHFFFAOYSA-N 2 0 409.575 -0.301 20 0 HBADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000550485876 1071024608 /nfs/dbraw/zinc/02/46/08/1071024608.db2.gz DMMOMMHVDPSIDJ-UHFFFAOYSA-N 2 0 409.575 -0.110 20 0 HBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000550498713 1071058270 /nfs/dbraw/zinc/05/82/70/1071058270.db2.gz NFMIRMSVMVYOLB-UHFFFAOYSA-N 3 0 419.574 -0.599 20 0 HBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000550512499 1071080974 /nfs/dbraw/zinc/08/09/74/1071080974.db2.gz DXDURUZKKHZHQB-KRWDZBQOSA-N 2 0 404.515 -0.714 20 0 HBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000550512500 1071080858 /nfs/dbraw/zinc/08/08/58/1071080858.db2.gz DXDURUZKKHZHQB-QGZVFWFLSA-N 2 0 404.515 -0.714 20 0 HBADRP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)NC[C@@H]3C[N@H+](C)CCN3C)cn2)CC1 ZINC000550612971 1069396248 /nfs/dbraw/zinc/39/62/48/1069396248.db2.gz VIIZNLATPNIOQO-GOSISDBHSA-N 2 0 417.558 -0.798 20 0 HBADRP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)NC[C@H]3C[N@H+](C)CCN3C)cn2)CC1 ZINC000550612972 1069396069 /nfs/dbraw/zinc/39/60/69/1069396069.db2.gz VIIZNLATPNIOQO-SFHVURJKSA-N 2 0 417.558 -0.798 20 0 HBADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000550670502 1069413370 /nfs/dbraw/zinc/41/33/70/1069413370.db2.gz GWAXSTKNTIEVCD-UHFFFAOYSA-N 2 0 407.559 -0.010 20 0 HBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)CC1 ZINC000550777447 1069435928 /nfs/dbraw/zinc/43/59/28/1069435928.db2.gz CXFHCMJDEIDPTQ-UHFFFAOYSA-N 2 0 418.542 -0.117 20 0 HBADRP CC(C)[C@@H](CNC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)N1CC[NH+](C)CC1 ZINC000550779003 1069437248 /nfs/dbraw/zinc/43/72/48/1069437248.db2.gz ZPNFEIIWUSRLBS-GOSISDBHSA-N 2 0 410.607 -0.483 20 0 HBADRP CC(C)[C@H](CNC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)N1CC[NH+](C)CC1 ZINC000550779004 1069437197 /nfs/dbraw/zinc/43/71/97/1069437197.db2.gz ZPNFEIIWUSRLBS-SFHVURJKSA-N 2 0 410.607 -0.483 20 0 HBADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NCCCC[NH+]3CCOCC3)C2)CC1 ZINC000550783427 1069440298 /nfs/dbraw/zinc/44/02/98/1069440298.db2.gz ZTUHVRXOJWBDRH-IBGZPJMESA-N 2 0 409.575 -0.158 20 0 HBADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NCCCC[NH+]3CCOCC3)C2)CC1 ZINC000550783429 1069440146 /nfs/dbraw/zinc/44/01/46/1069440146.db2.gz ZTUHVRXOJWBDRH-LJQANCHMSA-N 2 0 409.575 -0.158 20 0 HBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000550830444 1069453621 /nfs/dbraw/zinc/45/36/21/1069453621.db2.gz CFOFGLWQWXKSAQ-BEFAXECRSA-N 2 0 413.588 -0.401 20 0 HBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000550830445 1069453954 /nfs/dbraw/zinc/45/39/54/1069453954.db2.gz CFOFGLWQWXKSAQ-DNVCBOLYSA-N 2 0 413.588 -0.401 20 0 HBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000550830446 1069453992 /nfs/dbraw/zinc/45/39/92/1069453992.db2.gz CFOFGLWQWXKSAQ-HNAYVOBHSA-N 2 0 413.588 -0.401 20 0 HBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000550830447 1069453797 /nfs/dbraw/zinc/45/37/97/1069453797.db2.gz CFOFGLWQWXKSAQ-KXBFYZLASA-N 2 0 413.588 -0.401 20 0 HBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000550834803 1069455139 /nfs/dbraw/zinc/45/51/39/1069455139.db2.gz OQRGLCKPSFFSSI-IBGZPJMESA-N 2 0 413.588 -0.448 20 0 HBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000550834804 1069455172 /nfs/dbraw/zinc/45/51/72/1069455172.db2.gz OQRGLCKPSFFSSI-LJQANCHMSA-N 2 0 413.588 -0.448 20 0 HBADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CCSC1 ZINC000550840913 1069456496 /nfs/dbraw/zinc/45/64/96/1069456496.db2.gz WULLXGSCBOZQLJ-IBGZPJMESA-N 2 0 411.572 -0.694 20 0 HBADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CCSC1 ZINC000550840914 1069456537 /nfs/dbraw/zinc/45/65/37/1069456537.db2.gz WULLXGSCBOZQLJ-LJQANCHMSA-N 2 0 411.572 -0.694 20 0 HBADRP CCCS(=O)(=O)N1CCC(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000550861482 1069463398 /nfs/dbraw/zinc/46/33/98/1069463398.db2.gz KDMFBGTZRIWMNO-UHFFFAOYSA-N 2 0 419.592 -0.741 20 0 HBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000550878600 1069467010 /nfs/dbraw/zinc/46/70/10/1069467010.db2.gz KVUPPOFMCKCZFA-GOSISDBHSA-N 2 0 410.607 -0.482 20 0 HBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000550878601 1069467163 /nfs/dbraw/zinc/46/71/63/1069467163.db2.gz KVUPPOFMCKCZFA-SFHVURJKSA-N 2 0 410.607 -0.482 20 0 HBADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000550879065 1069464585 /nfs/dbraw/zinc/46/45/85/1069464585.db2.gz PQSOVGFXHNNPIK-QGZVFWFLSA-N 2 0 409.575 -0.160 20 0 HBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)NC3CCN(CC[NH+](C)C)CC3)CC2)c1 ZINC000550880274 1069464698 /nfs/dbraw/zinc/46/46/98/1069464698.db2.gz KHGGWUXLPUTSTB-UHFFFAOYSA-N 2 0 418.542 -0.119 20 0 HBADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NC3CCN(CC[NH+](C)C)CC3)C2)CC1 ZINC000550880562 1069464506 /nfs/dbraw/zinc/46/45/06/1069464506.db2.gz LSVZHSHNYHEXRT-FQEVSTJZSA-N 2 0 422.618 -0.245 20 0 HBADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NC3CCN(CC[NH+](C)C)CC3)C2)CC1 ZINC000550880563 1069464762 /nfs/dbraw/zinc/46/47/62/1069464762.db2.gz LSVZHSHNYHEXRT-HXUWFJFHSA-N 2 0 422.618 -0.245 20 0 HBADRP COCC[NH+]1CCC(NC(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000550905666 1069471150 /nfs/dbraw/zinc/47/11/50/1069471150.db2.gz NZIYIHGXZWNZJX-UHFFFAOYSA-N 2 0 418.542 -0.323 20 0 HBADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000550907754 1069467740 /nfs/dbraw/zinc/46/77/40/1069467740.db2.gz YRZVGSWHZUKVGM-UHFFFAOYSA-N 2 0 405.543 -0.256 20 0 HBADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000550942390 1069477520 /nfs/dbraw/zinc/47/75/20/1069477520.db2.gz LVMFEYSBDYRZPJ-FQEVSTJZSA-N 2 0 422.618 -0.243 20 0 HBADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000550942391 1069477547 /nfs/dbraw/zinc/47/75/47/1069477547.db2.gz LVMFEYSBDYRZPJ-HXUWFJFHSA-N 2 0 422.618 -0.243 20 0 HBADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000550946531 1069478713 /nfs/dbraw/zinc/47/87/13/1069478713.db2.gz IHJGELPURDOMST-GOSISDBHSA-N 2 0 409.575 -0.301 20 0 HBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000550953890 1069480216 /nfs/dbraw/zinc/48/02/16/1069480216.db2.gz CBIUVVPCWAPZEJ-UHFFFAOYSA-N 2 0 411.591 -0.053 20 0 HBADRP CN1CCN(C(=O)CCNC(=O)C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000551054402 1069495799 /nfs/dbraw/zinc/49/57/99/1069495799.db2.gz YIUVPAWAZSAPGA-IBGZPJMESA-N 2 0 415.538 -0.095 20 0 HBADRP CN1CCN(C(=O)CCNC(=O)C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000551054403 1069495678 /nfs/dbraw/zinc/49/56/78/1069495678.db2.gz YIUVPAWAZSAPGA-LJQANCHMSA-N 2 0 415.538 -0.095 20 0 HBADRP C[C@@H](CNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)C[NH+]1CCN(C)CC1 ZINC000551111132 1069505424 /nfs/dbraw/zinc/50/54/24/1069505424.db2.gz HLIURMOJUZOIOH-RBUKOAKNSA-N 2 0 409.575 -0.443 20 0 HBADRP C[C@H](CNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)C[NH+]1CCN(C)CC1 ZINC000551111137 1069505481 /nfs/dbraw/zinc/50/54/81/1069505481.db2.gz HLIURMOJUZOIOH-RTBURBONSA-N 2 0 409.575 -0.443 20 0 HBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000551123022 1069506649 /nfs/dbraw/zinc/50/66/49/1069506649.db2.gz VIHYWSMPHCFHNC-KRWDZBQOSA-N 2 0 418.542 -0.262 20 0 HBADRP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000551123023 1069506576 /nfs/dbraw/zinc/50/65/76/1069506576.db2.gz VIHYWSMPHCFHNC-QGZVFWFLSA-N 2 0 418.542 -0.262 20 0 HBADRP C[C@H](CNC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)C[NH+]1CCN(C)CC1 ZINC000551124324 1069507400 /nfs/dbraw/zinc/50/74/00/1069507400.db2.gz VWOUQLBETZHANR-MSOLQXFVSA-N 2 0 409.575 -0.302 20 0 HBADRP C[C@H](CNC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C)C[NH+]1CCN(C)CC1 ZINC000551124325 1069507192 /nfs/dbraw/zinc/50/71/92/1069507192.db2.gz VWOUQLBETZHANR-QZTJIDSGSA-N 2 0 409.575 -0.302 20 0 HBADRP C[C@@H](CNC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)C[NH+]1CCN(C)CC1 ZINC000551124326 1069507034 /nfs/dbraw/zinc/50/70/34/1069507034.db2.gz VWOUQLBETZHANR-ROUUACIJSA-N 2 0 409.575 -0.302 20 0 HBADRP C[C@@H](CNC(=O)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C)C[NH+]1CCN(C)CC1 ZINC000551124327 1069507323 /nfs/dbraw/zinc/50/73/23/1069507323.db2.gz VWOUQLBETZHANR-ZWKOTPCHSA-N 2 0 409.575 -0.302 20 0 HBADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000551152616 1069510592 /nfs/dbraw/zinc/51/05/92/1069510592.db2.gz QMEOSYXHBOSMSF-GOSISDBHSA-N 2 0 411.591 -0.008 20 0 HBADRP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000551152617 1069510747 /nfs/dbraw/zinc/51/07/47/1069510747.db2.gz QMEOSYXHBOSMSF-SFHVURJKSA-N 2 0 411.591 -0.008 20 0 HBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)NCCCC[NH+]3CCN(C)CC3)CC2)c1 ZINC000551162086 1069513604 /nfs/dbraw/zinc/51/36/04/1069513604.db2.gz CTWGMEOZCHSRCV-UHFFFAOYSA-N 2 0 418.542 -0.117 20 0 HBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[NH+]3C)CC1 ZINC000551319829 1069534623 /nfs/dbraw/zinc/53/46/23/1069534623.db2.gz XSOHZZSUOUHRKR-DFNIBXOVSA-N 2 0 409.575 -0.160 20 0 HBADRP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000551322406 1069536262 /nfs/dbraw/zinc/53/62/62/1069536262.db2.gz OHOQGDDAGMHALA-UHFFFAOYSA-N 2 0 418.502 -0.904 20 0 HBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000551472360 1069548834 /nfs/dbraw/zinc/54/88/34/1069548834.db2.gz RJKOIMNTDFUQNE-MOPGFXCFSA-N 2 0 410.607 -0.624 20 0 HBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000551472361 1069548910 /nfs/dbraw/zinc/54/89/10/1069548910.db2.gz RJKOIMNTDFUQNE-OALUTQOASA-N 2 0 410.607 -0.624 20 0 HBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000551472362 1069548934 /nfs/dbraw/zinc/54/89/34/1069548934.db2.gz RJKOIMNTDFUQNE-RBUKOAKNSA-N 2 0 410.607 -0.624 20 0 HBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000551472363 1069548899 /nfs/dbraw/zinc/54/88/99/1069548899.db2.gz RJKOIMNTDFUQNE-RTBURBONSA-N 2 0 410.607 -0.624 20 0 HBADRP C[C@H](CNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1)C[NH+]1CCN(C)CC1 ZINC000551480606 1069551070 /nfs/dbraw/zinc/55/10/70/1069551070.db2.gz UHSGFCQFYYNPTP-GOSISDBHSA-N 2 0 409.575 -0.253 20 0 HBADRP C[C@@H](CNC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1)C[NH+]1CCN(C)CC1 ZINC000551480607 1069551180 /nfs/dbraw/zinc/55/11/80/1069551180.db2.gz UHSGFCQFYYNPTP-SFHVURJKSA-N 2 0 409.575 -0.253 20 0 HBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)CC1 ZINC000551481361 1069550441 /nfs/dbraw/zinc/55/04/41/1069550441.db2.gz XRQLVWHQDAMPSM-GOSISDBHSA-N 2 0 411.591 -0.055 20 0 HBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)CC1 ZINC000551481362 1069550400 /nfs/dbraw/zinc/55/04/00/1069550400.db2.gz XRQLVWHQDAMPSM-SFHVURJKSA-N 2 0 411.591 -0.055 20 0 HBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)NC[C@H](C)C[NH+]3CCN(C)CC3)CC2)c1 ZINC000551482060 1069551044 /nfs/dbraw/zinc/55/10/44/1069551044.db2.gz DKFVKHRXTZHYMK-KRWDZBQOSA-N 2 0 418.542 -0.262 20 0 HBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]3CCN(C)CC3)CC2)c1 ZINC000551482061 1069551099 /nfs/dbraw/zinc/55/10/99/1069551099.db2.gz DKFVKHRXTZHYMK-QGZVFWFLSA-N 2 0 418.542 -0.262 20 0 HBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000551505728 1069556257 /nfs/dbraw/zinc/55/62/57/1069556257.db2.gz SVSMZTNFVCKFHZ-GOSISDBHSA-N 2 0 410.607 -0.482 20 0 HBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000551505729 1069556477 /nfs/dbraw/zinc/55/64/77/1069556477.db2.gz SVSMZTNFVCKFHZ-SFHVURJKSA-N 2 0 410.607 -0.482 20 0 HBADRP C[C@H](CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)C[NH+]1CCN(C)CC1 ZINC000551506011 1069556288 /nfs/dbraw/zinc/55/62/88/1069556288.db2.gz WFGWOULUHSNXSK-MSOLQXFVSA-N 2 0 424.590 -0.955 20 0 HBADRP C[C@H](CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)C[NH+]1CCN(C)CC1 ZINC000551506012 1069556348 /nfs/dbraw/zinc/55/63/48/1069556348.db2.gz WFGWOULUHSNXSK-QZTJIDSGSA-N 2 0 424.590 -0.955 20 0 HBADRP C[C@@H](CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)C[NH+]1CCN(C)CC1 ZINC000551506013 1069556604 /nfs/dbraw/zinc/55/66/04/1069556604.db2.gz WFGWOULUHSNXSK-ROUUACIJSA-N 2 0 424.590 -0.955 20 0 HBADRP C[C@@H](CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)C[NH+]1CCN(C)CC1 ZINC000551506014 1069556653 /nfs/dbraw/zinc/55/66/53/1069556653.db2.gz WFGWOULUHSNXSK-ZWKOTPCHSA-N 2 0 424.590 -0.955 20 0 HBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000551506097 1069556528 /nfs/dbraw/zinc/55/65/28/1069556528.db2.gz XWXXRVQPRDZVKM-GBESFXJTSA-N 2 0 411.591 -0.008 20 0 HBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000551506098 1069556380 /nfs/dbraw/zinc/55/63/80/1069556380.db2.gz XWXXRVQPRDZVKM-GUDVDZBRSA-N 2 0 411.591 -0.008 20 0 HBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000551506099 1069556566 /nfs/dbraw/zinc/55/65/66/1069556566.db2.gz XWXXRVQPRDZVKM-QRVBRYPASA-N 2 0 411.591 -0.008 20 0 HBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000551506100 1069556680 /nfs/dbraw/zinc/55/66/80/1069556680.db2.gz XWXXRVQPRDZVKM-QYZOEREBSA-N 2 0 411.591 -0.008 20 0 HBADRP C[C@H](CNC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1)C[NH+]1CCN(C)CC1 ZINC000551506179 1069556401 /nfs/dbraw/zinc/55/64/01/1069556401.db2.gz ZORALIDDPGGLNR-GOSISDBHSA-N 2 0 409.575 -0.443 20 0 HBADRP C[C@@H](CNC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1)C[NH+]1CCN(C)CC1 ZINC000551506180 1069556671 /nfs/dbraw/zinc/55/66/71/1069556671.db2.gz ZORALIDDPGGLNR-SFHVURJKSA-N 2 0 409.575 -0.443 20 0 HBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@]1(N2CCOCC2)CCSC1 ZINC000551680860 1069572098 /nfs/dbraw/zinc/57/20/98/1069572098.db2.gz PNNNFUJJJNMWAY-IBGZPJMESA-N 2 0 415.604 -0.738 20 0 HBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@]1(N2CCOCC2)CCSC1 ZINC000551680867 1069572122 /nfs/dbraw/zinc/57/21/22/1069572122.db2.gz PNNNFUJJJNMWAY-LJQANCHMSA-N 2 0 415.604 -0.738 20 0 HBADRP C[NH+](C)[C@H]1CN(C(=O)CC2(CC(=O)N3C[C@H](O)[C@@H]([NH+](C)C)C3)CCCCC2)C[C@@H]1O ZINC000552157047 1069770470 /nfs/dbraw/zinc/77/04/70/1069770470.db2.gz BTAKYACUPZCVAJ-VJANTYMQSA-N 2 0 424.586 -0.016 20 0 HBADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000552176266 1069772384 /nfs/dbraw/zinc/77/23/84/1069772384.db2.gz AULZARJRMKIGSO-KRWDZBQOSA-N 2 0 401.511 -0.053 20 0 HBADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000552176267 1069772237 /nfs/dbraw/zinc/77/22/37/1069772237.db2.gz AULZARJRMKIGSO-QGZVFWFLSA-N 2 0 401.511 -0.053 20 0 HBADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000552359049 1069787744 /nfs/dbraw/zinc/78/77/44/1069787744.db2.gz JMOIVPWTEMWZDL-GOSISDBHSA-N 2 0 407.559 -0.010 20 0 HBADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000552359050 1069787710 /nfs/dbraw/zinc/78/77/10/1069787710.db2.gz JMOIVPWTEMWZDL-SFHVURJKSA-N 2 0 407.559 -0.010 20 0 HBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000552558982 1069811975 /nfs/dbraw/zinc/81/19/75/1069811975.db2.gz LRIPJYVJBUXGTM-GOSISDBHSA-N 2 0 423.558 -0.739 20 0 HBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000552558983 1069812485 /nfs/dbraw/zinc/81/24/85/1069812485.db2.gz LRIPJYVJBUXGTM-SFHVURJKSA-N 2 0 423.558 -0.739 20 0 HBADRP COCCN(C(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCOC1 ZINC000552583579 1069819023 /nfs/dbraw/zinc/81/90/23/1069819023.db2.gz GEEGTFCNVLXICD-IBGZPJMESA-N 2 0 419.526 -0.026 20 0 HBADRP COCCN(C(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCOC1 ZINC000552583580 1069818882 /nfs/dbraw/zinc/81/88/82/1069818882.db2.gz GEEGTFCNVLXICD-LJQANCHMSA-N 2 0 419.526 -0.026 20 0 HBADRP COC[C@@H]1CN(C(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C[C@H](C)O1 ZINC000552583619 1069819684 /nfs/dbraw/zinc/81/96/84/1069819684.db2.gz GVYLYGMEYIDLCR-HKUYNNGSSA-N 2 0 419.526 -0.028 20 0 HBADRP COC[C@H]1CN(C(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C[C@@H](C)O1 ZINC000552583620 1069819855 /nfs/dbraw/zinc/81/98/55/1069819855.db2.gz GVYLYGMEYIDLCR-IEBWSBKVSA-N 2 0 419.526 -0.028 20 0 HBADRP COC[C@@H]1CN(C(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C[C@@H](C)O1 ZINC000552583621 1069819640 /nfs/dbraw/zinc/81/96/40/1069819640.db2.gz GVYLYGMEYIDLCR-MJGOQNOKSA-N 2 0 419.526 -0.028 20 0 HBADRP COC[C@H]1CN(C(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C[C@H](C)O1 ZINC000552583622 1069819816 /nfs/dbraw/zinc/81/98/16/1069819816.db2.gz GVYLYGMEYIDLCR-PKOBYXMFSA-N 2 0 419.526 -0.028 20 0 HBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000552583646 1069819789 /nfs/dbraw/zinc/81/97/89/1069819789.db2.gz HIMXBMRJNFAWDO-QZTJIDSGSA-N 2 0 414.510 -0.553 20 0 HBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000552584916 1069820303 /nfs/dbraw/zinc/82/03/03/1069820303.db2.gz ADWINWUCFLFRDZ-NRFANRHFSA-N 2 0 417.510 -0.272 20 0 HBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)N1CCO[C@]2(CCOC2)C1 ZINC000552584917 1069820700 /nfs/dbraw/zinc/82/07/00/1069820700.db2.gz ADWINWUCFLFRDZ-OAQYLSRUSA-N 2 0 417.510 -0.272 20 0 HBADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000552590624 1069822476 /nfs/dbraw/zinc/82/24/76/1069822476.db2.gz QBILFDYTPXUUSL-UHFFFAOYSA-N 2 0 416.526 -0.211 20 0 HBADRP COc1cccc(N2C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC2=O)c1 ZINC000552803067 1069856811 /nfs/dbraw/zinc/85/68/11/1069856811.db2.gz LVQUPXSPAKNCIE-INIZCTEOSA-N 2 0 419.526 -0.132 20 0 HBADRP COc1cccc(N2C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC2=O)c1 ZINC000552803068 1069857231 /nfs/dbraw/zinc/85/72/31/1069857231.db2.gz LVQUPXSPAKNCIE-MRXNPFEDSA-N 2 0 419.526 -0.132 20 0 HBADRP C[C@@H](Cn1cncn1)NC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000552827048 1069860362 /nfs/dbraw/zinc/86/03/62/1069860362.db2.gz IYPFWFDEQOWHPM-INIZCTEOSA-N 2 0 400.487 -0.494 20 0 HBADRP C[C@H](Cn1cncn1)NC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000552827051 1069860308 /nfs/dbraw/zinc/86/03/08/1069860308.db2.gz IYPFWFDEQOWHPM-MRXNPFEDSA-N 2 0 400.487 -0.494 20 0 HBADRP CN1CCC([NH+]2CCC(NC(=O)C(=O)NCCN3CC[N@H+](C)C(C)(C)C3)CC2)CC1 ZINC000552863213 1069864704 /nfs/dbraw/zinc/86/47/04/1069864704.db2.gz PANONIWCKOKONE-UHFFFAOYSA-N 2 0 422.618 -0.197 20 0 HBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000552864479 1069865182 /nfs/dbraw/zinc/86/51/82/1069865182.db2.gz HSDYTEJLDJBXBG-IBGZPJMESA-N 2 0 409.575 -0.112 20 0 HBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000552864480 1069865002 /nfs/dbraw/zinc/86/50/02/1069865002.db2.gz HSDYTEJLDJBXBG-LJQANCHMSA-N 2 0 409.575 -0.112 20 0 HBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000552864634 1069864857 /nfs/dbraw/zinc/86/48/57/1069864857.db2.gz KZWLBRZHQYRTEB-GOSISDBHSA-N 2 0 403.527 -0.145 20 0 HBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)C1=O ZINC000552864635 1069865050 /nfs/dbraw/zinc/86/50/50/1069865050.db2.gz KZWLBRZHQYRTEB-SFHVURJKSA-N 2 0 403.527 -0.145 20 0 HBADRP CN1CCC([NH+]2CCC(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC2)CC1 ZINC000552864777 1069865079 /nfs/dbraw/zinc/86/50/79/1069865079.db2.gz PPMHSQWRXHEXDP-UHFFFAOYSA-N 3 0 410.607 -0.387 20 0 HBADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000552893032 1069869565 /nfs/dbraw/zinc/86/95/65/1069869565.db2.gz JQJXWEWFOWSYBL-MSOLQXFVSA-N 2 0 407.559 -0.120 20 0 HBADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000552893033 1069868879 /nfs/dbraw/zinc/86/88/79/1069868879.db2.gz JQJXWEWFOWSYBL-QZTJIDSGSA-N 2 0 407.559 -0.120 20 0 HBADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000552893034 1069869016 /nfs/dbraw/zinc/86/90/16/1069869016.db2.gz JQJXWEWFOWSYBL-ROUUACIJSA-N 2 0 407.559 -0.120 20 0 HBADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000552893035 1069869423 /nfs/dbraw/zinc/86/94/23/1069869423.db2.gz JQJXWEWFOWSYBL-ZWKOTPCHSA-N 2 0 407.559 -0.120 20 0 HBADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000552896880 1069872617 /nfs/dbraw/zinc/87/26/17/1069872617.db2.gz JDRPGWAKUYBWDO-KRWDZBQOSA-N 2 0 424.590 -0.826 20 0 HBADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000552896883 1069873790 /nfs/dbraw/zinc/87/37/90/1069873790.db2.gz JDRPGWAKUYBWDO-QGZVFWFLSA-N 2 0 424.590 -0.826 20 0 HBADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C[C@H](C)O1 ZINC000552901601 1069874543 /nfs/dbraw/zinc/87/45/43/1069874543.db2.gz PKZORCWFZFPXJO-BBWFWOEESA-N 2 0 411.547 -0.695 20 0 HBADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C[C@@H](C)O1 ZINC000552901602 1069874319 /nfs/dbraw/zinc/87/43/19/1069874319.db2.gz PKZORCWFZFPXJO-BRWVUGGUSA-N 2 0 411.547 -0.695 20 0 HBADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C[C@H](C)O1 ZINC000552901603 1069875940 /nfs/dbraw/zinc/87/59/40/1069875940.db2.gz PKZORCWFZFPXJO-IXDOHACOSA-N 2 0 411.547 -0.695 20 0 HBADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C[C@@H](C)O1 ZINC000552901604 1069875843 /nfs/dbraw/zinc/87/58/43/1069875843.db2.gz PKZORCWFZFPXJO-ZACQAIPSSA-N 2 0 411.547 -0.695 20 0 HBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)C1 ZINC000552901648 1069875646 /nfs/dbraw/zinc/87/56/46/1069875646.db2.gz QNHIURCWGTWRHB-GOSISDBHSA-N 2 0 423.558 -0.739 20 0 HBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)C1 ZINC000552901649 1069875466 /nfs/dbraw/zinc/87/54/66/1069875466.db2.gz QNHIURCWGTWRHB-SFHVURJKSA-N 2 0 423.558 -0.739 20 0 HBADRP C[C@@H](CNC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)S(C)(=O)=O ZINC000552925826 1069876327 /nfs/dbraw/zinc/87/63/27/1069876327.db2.gz KLXPNFBQTVPLBJ-HNNXBMFYSA-N 2 0 411.528 -0.741 20 0 HBADRP C[C@H](CNC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)S(C)(=O)=O ZINC000552925827 1069876876 /nfs/dbraw/zinc/87/68/76/1069876876.db2.gz KLXPNFBQTVPLBJ-OAHLLOKOSA-N 2 0 411.528 -0.741 20 0 HBADRP CCN1CCN(C(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1=O ZINC000552927312 1069878195 /nfs/dbraw/zinc/87/81/95/1069878195.db2.gz OOHDVCGDYKZMJP-UHFFFAOYSA-N 2 0 402.499 -0.599 20 0 HBADRP C[C@]1(C(N)=O)CCN(C(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000552927378 1069878528 /nfs/dbraw/zinc/87/85/28/1069878528.db2.gz QQLHNZLJKJDTRK-FQEVSTJZSA-N 2 0 402.499 -0.566 20 0 HBADRP C[C@@]1(C(N)=O)CCN(C(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000552927379 1069878094 /nfs/dbraw/zinc/87/80/94/1069878094.db2.gz QQLHNZLJKJDTRK-HXUWFJFHSA-N 2 0 402.499 -0.566 20 0 HBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)N(CCO)C1CCOCC1 ZINC000552928921 1069879733 /nfs/dbraw/zinc/87/97/33/1069879733.db2.gz RVVJWDDTTKGRDK-UHFFFAOYSA-N 2 0 419.526 -0.290 20 0 HBADRP O=C(NCCCn1ccnn1)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000552928986 1069879399 /nfs/dbraw/zinc/87/93/99/1069879399.db2.gz UNQXTLVFMQPKCU-UHFFFAOYSA-N 2 0 400.487 -0.492 20 0 HBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000552929047 1069879549 /nfs/dbraw/zinc/87/95/49/1069879549.db2.gz WHVVHJHAAOOZBK-IBGZPJMESA-N 2 0 416.526 -0.747 20 0 HBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000552929048 1069879926 /nfs/dbraw/zinc/87/99/26/1069879926.db2.gz WHVVHJHAAOOZBK-LJQANCHMSA-N 2 0 416.526 -0.747 20 0 HBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[NH+]3C)CC1 ZINC000552937268 1069885576 /nfs/dbraw/zinc/88/55/76/1069885576.db2.gz BBYZZYRZMTYLHJ-BMHONFFRSA-N 2 0 421.586 -0.017 20 0 HBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[NH+]3C)CC1 ZINC000552937273 1069884562 /nfs/dbraw/zinc/88/45/62/1069884562.db2.gz BBYZZYRZMTYLHJ-COHPWVSRSA-N 2 0 421.586 -0.017 20 0 HBADRP COCCC[NH+]1CCC(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000552937746 1069885799 /nfs/dbraw/zinc/88/57/99/1069885799.db2.gz MTTTYYPENYQWPM-GOSISDBHSA-N 2 0 423.558 -0.632 20 0 HBADRP COCCC[NH+]1CCC(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000552937747 1069885020 /nfs/dbraw/zinc/88/50/20/1069885020.db2.gz MTTTYYPENYQWPM-SFHVURJKSA-N 2 0 423.558 -0.632 20 0 HBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000552938007 1069880769 /nfs/dbraw/zinc/88/07/69/1069880769.db2.gz WBZBOMFUDRMZLL-INIZCTEOSA-N 2 0 405.499 -0.034 20 0 HBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000552938008 1069881507 /nfs/dbraw/zinc/88/15/07/1069881507.db2.gz WBZBOMFUDRMZLL-MRXNPFEDSA-N 2 0 405.499 -0.034 20 0 HBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000553149442 1069917438 /nfs/dbraw/zinc/91/74/38/1069917438.db2.gz GKXHSFBPKLXMAY-GOSISDBHSA-N 2 0 424.590 -0.859 20 0 HBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000553149443 1069917210 /nfs/dbraw/zinc/91/72/10/1069917210.db2.gz GKXHSFBPKLXMAY-SFHVURJKSA-N 2 0 424.590 -0.859 20 0 HBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000553150615 1069919204 /nfs/dbraw/zinc/91/92/04/1069919204.db2.gz YXUWIQCTODSBPE-MSOLQXFVSA-N 2 0 407.559 -0.010 20 0 HBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000553150616 1069919300 /nfs/dbraw/zinc/91/93/00/1069919300.db2.gz YXUWIQCTODSBPE-QZTJIDSGSA-N 2 0 407.559 -0.010 20 0 HBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000553150617 1069919410 /nfs/dbraw/zinc/91/94/10/1069919410.db2.gz YXUWIQCTODSBPE-ROUUACIJSA-N 2 0 407.559 -0.010 20 0 HBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000553150618 1069918957 /nfs/dbraw/zinc/91/89/57/1069918957.db2.gz YXUWIQCTODSBPE-ZWKOTPCHSA-N 2 0 407.559 -0.010 20 0 HBADRP C[NH+]1CCN(CCNc2nc3c(c(NCCN4CC[NH+](C)CC4)n2)SCC3)CC1 ZINC000553242271 1069933575 /nfs/dbraw/zinc/93/35/75/1069933575.db2.gz QARPUYCEHATICR-UHFFFAOYSA-N 2 0 420.631 -0.713 20 0 HBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@H](c2cccs2)N2CCN(C)CC2)C1 ZINC000553393866 1069954464 /nfs/dbraw/zinc/95/44/64/1069954464.db2.gz AJRHDGUPOPYZBC-DLBZAZTESA-N 2 0 423.583 -0.010 20 0 HBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H](c2cccs2)N2CCN(C)CC2)C1 ZINC000553393867 1069954223 /nfs/dbraw/zinc/95/42/23/1069954223.db2.gz AJRHDGUPOPYZBC-IAGOWNOFSA-N 2 0 423.583 -0.010 20 0 HBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H](c2cccs2)N2CCN(C)CC2)C1 ZINC000553393868 1069954699 /nfs/dbraw/zinc/95/46/99/1069954699.db2.gz AJRHDGUPOPYZBC-IRXDYDNUSA-N 2 0 423.583 -0.010 20 0 HBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H](c2cccs2)N2CCN(C)CC2)C1 ZINC000553393869 1069954344 /nfs/dbraw/zinc/95/43/44/1069954344.db2.gz AJRHDGUPOPYZBC-SJORKVTESA-N 2 0 423.583 -0.010 20 0 HBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000553395235 1069955397 /nfs/dbraw/zinc/95/53/97/1069955397.db2.gz FBSBZLCIRNHIIN-CEXWTWQISA-N 2 0 409.575 -0.160 20 0 HBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)C1 ZINC000553395238 1069955297 /nfs/dbraw/zinc/95/52/97/1069955297.db2.gz FBSBZLCIRNHIIN-FHWLQOOXSA-N 2 0 409.575 -0.160 20 0 HBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000553395240 1069955432 /nfs/dbraw/zinc/95/54/32/1069955432.db2.gz FBSBZLCIRNHIIN-OTWHNJEPSA-N 2 0 409.575 -0.160 20 0 HBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)C1 ZINC000553395243 1069955570 /nfs/dbraw/zinc/95/55/70/1069955570.db2.gz FBSBZLCIRNHIIN-QRVBRYPASA-N 2 0 409.575 -0.160 20 0 HBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C)CN2CCN(c3ccccn3)CC2)C1 ZINC000553397209 1069955252 /nfs/dbraw/zinc/95/52/52/1069955252.db2.gz NSAHSOGVBWSVQL-MSOLQXFVSA-N 2 0 418.542 -0.455 20 0 HBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@H](C)CN2CCN(c3ccccn3)CC2)C1 ZINC000553397210 1069955195 /nfs/dbraw/zinc/95/51/95/1069955195.db2.gz NSAHSOGVBWSVQL-QZTJIDSGSA-N 2 0 418.542 -0.455 20 0 HBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H](C)CN2CCN(c3ccccn3)CC2)C1 ZINC000553397211 1069955474 /nfs/dbraw/zinc/95/54/74/1069955474.db2.gz NSAHSOGVBWSVQL-ROUUACIJSA-N 2 0 418.542 -0.455 20 0 HBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H](C)CN2CCN(c3ccccn3)CC2)C1 ZINC000553397212 1069955606 /nfs/dbraw/zinc/95/56/06/1069955606.db2.gz NSAHSOGVBWSVQL-ZWKOTPCHSA-N 2 0 418.542 -0.455 20 0 HBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000553527119 1069975425 /nfs/dbraw/zinc/97/54/25/1069975425.db2.gz PDZNUTXKMHEDGH-GOSISDBHSA-N 2 0 405.543 -0.352 20 0 HBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000553527120 1069975182 /nfs/dbraw/zinc/97/51/82/1069975182.db2.gz PDZNUTXKMHEDGH-SFHVURJKSA-N 2 0 405.543 -0.352 20 0 HBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)C1 ZINC000553735810 1069994824 /nfs/dbraw/zinc/99/48/24/1069994824.db2.gz ZWCRYIFAZQFKAY-GOSISDBHSA-N 2 0 409.575 -0.301 20 0 HBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)C1 ZINC000553735811 1069994668 /nfs/dbraw/zinc/99/46/68/1069994668.db2.gz ZWCRYIFAZQFKAY-SFHVURJKSA-N 2 0 409.575 -0.301 20 0 HBADRP COC1CC[NH+](C2(CNC(=O)C(=O)NC[C@H]3C[N@H+](C)CCN3C)CCCC2)CC1 ZINC000553960953 1070017381 /nfs/dbraw/zinc/01/73/81/1070017381.db2.gz BEFMWJNOUKPWDX-KRWDZBQOSA-N 2 0 409.575 -0.112 20 0 HBADRP COC1CC[NH+](C2(CNC(=O)C(=O)NC[C@@H]3C[N@H+](C)CCN3C)CCCC2)CC1 ZINC000553960954 1070017565 /nfs/dbraw/zinc/01/75/65/1070017565.db2.gz BEFMWJNOUKPWDX-QGZVFWFLSA-N 2 0 409.575 -0.112 20 0 HBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000554043166 1070026383 /nfs/dbraw/zinc/02/63/83/1070026383.db2.gz JOXCZUMNKXCXRU-IBGZPJMESA-N 2 0 409.575 -0.301 20 0 HBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000554043167 1070027152 /nfs/dbraw/zinc/02/71/52/1070027152.db2.gz JOXCZUMNKXCXRU-LJQANCHMSA-N 2 0 409.575 -0.301 20 0 HBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000554106631 1070038857 /nfs/dbraw/zinc/03/88/57/1070038857.db2.gz OPQRZGNDDDBEQQ-AEFFLSMTSA-N 2 0 407.559 -0.012 20 0 HBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000554106632 1070038768 /nfs/dbraw/zinc/03/87/68/1070038768.db2.gz OPQRZGNDDDBEQQ-FUHWJXTLSA-N 2 0 407.559 -0.012 20 0 HBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000554106633 1070039666 /nfs/dbraw/zinc/03/96/66/1070039666.db2.gz OPQRZGNDDDBEQQ-SJLPKXTDSA-N 2 0 407.559 -0.012 20 0 HBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000554106634 1070039624 /nfs/dbraw/zinc/03/96/24/1070039624.db2.gz OPQRZGNDDDBEQQ-WMZOPIPTSA-N 2 0 407.559 -0.012 20 0 HBADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000554181717 1070053889 /nfs/dbraw/zinc/05/38/89/1070053889.db2.gz INWPCIXWINHGTK-GOSISDBHSA-N 2 0 411.591 -0.271 20 0 HBADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000554181719 1070053800 /nfs/dbraw/zinc/05/38/00/1070053800.db2.gz INWPCIXWINHGTK-SFHVURJKSA-N 2 0 411.591 -0.271 20 0 HBADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000554199936 1070057536 /nfs/dbraw/zinc/05/75/36/1070057536.db2.gz PCGADTYDMWSOTD-MOPGFXCFSA-N 2 0 409.575 -0.422 20 0 HBADRP O=C(NCCCC[NH+]1CCN(CCO)CC1)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000554201447 1070058200 /nfs/dbraw/zinc/05/82/00/1070058200.db2.gz YXPNKGHXRLCICK-IBGZPJMESA-N 2 0 409.575 -0.421 20 0 HBADRP O=C(NCCCC[NH+]1CCN(CCO)CC1)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000554201453 1070058099 /nfs/dbraw/zinc/05/80/99/1070058099.db2.gz YXPNKGHXRLCICK-LJQANCHMSA-N 2 0 409.575 -0.421 20 0 HBADRP O=C(NCCCC[NH+]1CCN(CCO)CC1)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000554201537 1070058246 /nfs/dbraw/zinc/05/82/46/1070058246.db2.gz ZXVCTYCDYYRBDP-FQEVSTJZSA-N 2 0 423.602 -0.030 20 0 HBADRP O=C(NCCCC[NH+]1CCN(CCO)CC1)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000554201538 1070058411 /nfs/dbraw/zinc/05/84/11/1070058411.db2.gz ZXVCTYCDYYRBDP-HXUWFJFHSA-N 2 0 423.602 -0.030 20 0 HBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1cccc(N2CCOCC2)n1 ZINC000554269619 1070065407 /nfs/dbraw/zinc/06/54/07/1070065407.db2.gz RSGREZAUFJADSY-UHFFFAOYSA-N 2 0 406.531 -0.514 20 0 HBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000554342515 1070074509 /nfs/dbraw/zinc/07/45/09/1070074509.db2.gz GRJGPQLPAQSLNC-KRWDZBQOSA-N 2 0 424.590 -0.909 20 0 HBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000554342516 1070074239 /nfs/dbraw/zinc/07/42/39/1070074239.db2.gz GRJGPQLPAQSLNC-QGZVFWFLSA-N 2 0 424.590 -0.909 20 0 HBADRP O=C(NCCCC[NH+]1CCN(CCO)CC1)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000554437685 1070083330 /nfs/dbraw/zinc/08/33/30/1070083330.db2.gz MVIGUXNYCIFIHR-UHFFFAOYSA-N 2 0 423.602 -0.030 20 0 HBADRP CN(C)S(=O)(=O)C[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C(F)(F)F ZINC000554520168 1070089239 /nfs/dbraw/zinc/08/92/39/1070089239.db2.gz GCXOKTWOTDBDBO-GFCCVEGCSA-N 2 0 405.487 -0.057 20 0 HBADRP CN(C)S(=O)(=O)C[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C(F)(F)F ZINC000554520169 1070089403 /nfs/dbraw/zinc/08/94/03/1070089403.db2.gz GCXOKTWOTDBDBO-LBPRGKRZSA-N 2 0 405.487 -0.057 20 0 HBADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NCCN3CC[N@H+](C)C(C)(C)C3)C2)CC1 ZINC000554554772 1070092098 /nfs/dbraw/zinc/09/20/98/1070092098.db2.gz GCVGIXDMKOHMRR-IBGZPJMESA-N 2 0 422.618 -0.245 20 0 HBADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NCCN3CC[N@H+](C)C(C)(C)C3)C2)CC1 ZINC000554554773 1070091912 /nfs/dbraw/zinc/09/19/12/1070091912.db2.gz GCVGIXDMKOHMRR-LJQANCHMSA-N 2 0 422.618 -0.245 20 0 HBADRP CC[NH+](CC)CCS(=O)(=O)N1CCN(S(=O)(=O)CC[NH+](CC)CC)CC1 ZINC000554968448 1070148455 /nfs/dbraw/zinc/14/84/55/1070148455.db2.gz XDFSJJCTAJROIQ-UHFFFAOYSA-N 2 0 412.622 -0.053 20 0 HBADRP Cn1c2ncn(CC[NH+]3CCC(CC[NH+]4CCOCC4)CC3)c2c(=O)n(C)c1=O ZINC000555209624 1070177392 /nfs/dbraw/zinc/17/73/92/1070177392.db2.gz BGRLVTVGOVVUQW-UHFFFAOYSA-N 2 0 404.515 -0.132 20 0 HBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000555729207 1070234106 /nfs/dbraw/zinc/23/41/06/1070234106.db2.gz OVWQUUPWFYPMLG-GOSISDBHSA-N 2 0 423.558 -0.774 20 0 HBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000555729208 1070234224 /nfs/dbraw/zinc/23/42/24/1070234224.db2.gz OVWQUUPWFYPMLG-SFHVURJKSA-N 2 0 423.558 -0.774 20 0 HBADRP CC1CC[NH+](CCCNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000555734048 1070235529 /nfs/dbraw/zinc/23/55/29/1070235529.db2.gz COBBXHUDSSTITJ-GOSISDBHSA-N 2 0 407.559 -0.010 20 0 HBADRP CC1CC[NH+](CCCNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000555734049 1070235638 /nfs/dbraw/zinc/23/56/38/1070235638.db2.gz COBBXHUDSSTITJ-SFHVURJKSA-N 2 0 407.559 -0.010 20 0 HBADRP COCCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)CC1 ZINC000555921595 1070257143 /nfs/dbraw/zinc/25/71/43/1070257143.db2.gz MTCXEQRIVQGORO-IBGZPJMESA-N 2 0 411.591 -0.008 20 0 HBADRP COCCC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)CC1 ZINC000555921596 1070257340 /nfs/dbraw/zinc/25/73/40/1070257340.db2.gz MTCXEQRIVQGORO-LJQANCHMSA-N 2 0 411.591 -0.008 20 0 HBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000555965606 1070268900 /nfs/dbraw/zinc/26/89/00/1070268900.db2.gz RMXWOYBRQVRUCE-UHFFFAOYSA-N 2 0 424.590 -0.859 20 0 HBADRP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CC[N@H+](CCOC)C3)cn2)CC1 ZINC000556052289 1071860942 /nfs/dbraw/zinc/86/09/42/1071860942.db2.gz DKPBQHFGJLEWSR-GOSISDBHSA-N 2 0 418.542 -0.323 20 0 HBADRP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@H]3CC[N@H+](CCOC)C3)cn2)CC1 ZINC000556052291 1071860696 /nfs/dbraw/zinc/86/06/96/1071860696.db2.gz DKPBQHFGJLEWSR-SFHVURJKSA-N 2 0 418.542 -0.323 20 0 HBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000556100092 1071874531 /nfs/dbraw/zinc/87/45/31/1071874531.db2.gz BASLPWSGFOKNSG-PMACEKPBSA-N 2 0 416.570 -0.547 20 0 HBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000556100093 1071874866 /nfs/dbraw/zinc/87/48/66/1071874866.db2.gz BASLPWSGFOKNSG-UXHICEINSA-N 2 0 416.570 -0.547 20 0 HBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000556100094 1071874784 /nfs/dbraw/zinc/87/47/84/1071874784.db2.gz BASLPWSGFOKNSG-VQTJNVASSA-N 2 0 416.570 -0.547 20 0 HBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000556100095 1071874654 /nfs/dbraw/zinc/87/46/54/1071874654.db2.gz BASLPWSGFOKNSG-WOJBJXKFSA-N 2 0 416.570 -0.547 20 0 HBADRP COc1cc[nH+]c(N2CCN(C(=O)C(=O)NCCCC[NH+]3CCOCC3)CC2)c1 ZINC000556168783 1071888102 /nfs/dbraw/zinc/88/81/02/1071888102.db2.gz YRRBPILTEWIEMQ-UHFFFAOYSA-N 2 0 405.499 -0.033 20 0 HBADRP CCN1CC[NH+](CCCCNC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000556170835 1071889258 /nfs/dbraw/zinc/88/92/58/1071889258.db2.gz OIHOHRXHMAESHJ-UHFFFAOYSA-N 2 0 410.607 -0.338 20 0 HBADRP CN1CC[NH+](CCCCNC(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000556172524 1071889333 /nfs/dbraw/zinc/88/93/33/1071889333.db2.gz ZSZHKMAXPZPMGZ-FQEVSTJZSA-N 2 0 422.618 -0.241 20 0 HBADRP CN1CC[NH+](CCCCNC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000556172525 1071889506 /nfs/dbraw/zinc/88/95/06/1071889506.db2.gz ZSZHKMAXPZPMGZ-HXUWFJFHSA-N 2 0 422.618 -0.241 20 0 HBADRP C[C@H](CNC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1)C[NH+]1CCN(C)CC1 ZINC000556354914 1071918828 /nfs/dbraw/zinc/91/88/28/1071918828.db2.gz NCSZVJZNBVXXSU-GOSISDBHSA-N 2 0 410.607 -0.530 20 0 HBADRP C[C@@H](CNC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1)C[NH+]1CCN(C)CC1 ZINC000556354915 1071919005 /nfs/dbraw/zinc/91/90/05/1071919005.db2.gz NCSZVJZNBVXXSU-SFHVURJKSA-N 2 0 410.607 -0.530 20 0 HBADRP C[C@@H](CNC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)C[NH+]1CCN(C)CC1 ZINC000556355215 1071918931 /nfs/dbraw/zinc/91/89/31/1071918931.db2.gz PWJCJIAQKXBMFM-PMACEKPBSA-N 2 0 422.618 -0.385 20 0 HBADRP C[C@H](CNC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)C[NH+]1CCN(C)CC1 ZINC000556355220 1071919056 /nfs/dbraw/zinc/91/90/56/1071919056.db2.gz PWJCJIAQKXBMFM-UXHICEINSA-N 2 0 422.618 -0.385 20 0 HBADRP C[C@@H](CNC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)C[NH+]1CCN(C)CC1 ZINC000556355221 1071918788 /nfs/dbraw/zinc/91/87/88/1071918788.db2.gz PWJCJIAQKXBMFM-VQTJNVASSA-N 2 0 422.618 -0.385 20 0 HBADRP C[C@H](CNC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)C[NH+]1CCN(C)CC1 ZINC000556355222 1071918850 /nfs/dbraw/zinc/91/88/50/1071918850.db2.gz PWJCJIAQKXBMFM-WOJBJXKFSA-N 2 0 422.618 -0.385 20 0 HBADRP C[C@H](CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)C[NH+]1CCN(C)CC1 ZINC000556356569 1071917023 /nfs/dbraw/zinc/91/70/23/1071917023.db2.gz LXUVTLSPZMKTFL-HOJAQTOUSA-N 2 0 423.602 -0.130 20 0 HBADRP C[C@H](CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C[NH+]1CCN(C)CC1 ZINC000556356574 1071917077 /nfs/dbraw/zinc/91/70/77/1071917077.db2.gz LXUVTLSPZMKTFL-MISYRCLQSA-N 2 0 423.602 -0.130 20 0 HBADRP C[C@H](CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C[NH+]1CCN(C)CC1 ZINC000556356575 1071917285 /nfs/dbraw/zinc/91/72/85/1071917285.db2.gz LXUVTLSPZMKTFL-RLLQIKCJSA-N 2 0 423.602 -0.130 20 0 HBADRP C[C@H](CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)C[NH+]1CCN(C)CC1 ZINC000556356576 1071917201 /nfs/dbraw/zinc/91/72/01/1071917201.db2.gz LXUVTLSPZMKTFL-YZGWKJHDSA-N 2 0 423.602 -0.130 20 0 HBADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NC[C@H](C)C[NH+]3CCN(C)CC3)C2)CC1 ZINC000556368274 1071920231 /nfs/dbraw/zinc/92/02/31/1071920231.db2.gz KPWYDZLMFYBYMG-PMACEKPBSA-N 2 0 422.618 -0.387 20 0 HBADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]3CCN(C)CC3)C2)CC1 ZINC000556368281 1071920107 /nfs/dbraw/zinc/92/01/07/1071920107.db2.gz KPWYDZLMFYBYMG-UXHICEINSA-N 2 0 422.618 -0.387 20 0 HBADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NC[C@H](C)C[NH+]3CCN(C)CC3)C2)CC1 ZINC000556368286 1071920156 /nfs/dbraw/zinc/92/01/56/1071920156.db2.gz KPWYDZLMFYBYMG-VQTJNVASSA-N 2 0 422.618 -0.387 20 0 HBADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]3CCN(C)CC3)C2)CC1 ZINC000556368288 1071920169 /nfs/dbraw/zinc/92/01/69/1071920169.db2.gz KPWYDZLMFYBYMG-WOJBJXKFSA-N 2 0 422.618 -0.387 20 0 HBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C1 ZINC000559562435 1068664013 /nfs/dbraw/zinc/66/40/13/1068664013.db2.gz WZACCAQFKLYUGP-QGZVFWFLSA-N 2 0 404.515 -0.714 20 0 HBADRP COCCN(CC[NH+](C)C)C(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000559672026 1068670851 /nfs/dbraw/zinc/67/08/51/1068670851.db2.gz GWSPMFJSHCDRAM-UHFFFAOYSA-N 2 0 406.531 -0.514 20 0 HBADRP CN1CCN(C(=O)CC2CCN(C(=O)C(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)CC2)CC1 ZINC000559900466 1068685171 /nfs/dbraw/zinc/68/51/71/1068685171.db2.gz KCWVPZLDAHKTII-GOSISDBHSA-N 2 0 419.570 -0.010 20 0 HBADRP CN1CCN(C(=O)CC2CCN(C(=O)C(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)CC2)CC1 ZINC000559900467 1068685363 /nfs/dbraw/zinc/68/53/63/1068685363.db2.gz KCWVPZLDAHKTII-SFHVURJKSA-N 2 0 419.570 -0.010 20 0 HBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000559903633 1068685222 /nfs/dbraw/zinc/68/52/22/1068685222.db2.gz JMEHXCJCHHYOLQ-GOSISDBHSA-N 2 0 405.543 -0.258 20 0 HBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000559903634 1068685301 /nfs/dbraw/zinc/68/53/01/1068685301.db2.gz JMEHXCJCHHYOLQ-SFHVURJKSA-N 2 0 405.543 -0.258 20 0 HBADRP C[C@H](CNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)C[NH+]1CCN(C)CC1 ZINC000560011296 1068690690 /nfs/dbraw/zinc/69/06/90/1068690690.db2.gz HLIURMOJUZOIOH-MOPGFXCFSA-N 2 0 409.575 -0.443 20 0 HBADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000561998051 1068823431 /nfs/dbraw/zinc/82/34/31/1068823431.db2.gz BEFZUFCZCQBZGE-SFHVURJKSA-N 2 0 405.543 -0.114 20 0 HBADRP C[NH+]1CC[C@](O)(CNC(=O)[C@H](CC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)CC(C)(C)C)C1 ZINC000564330540 1072062214 /nfs/dbraw/zinc/06/22/14/1072062214.db2.gz OLBZZLHIHHIFJA-CZAAIQMYSA-N 2 0 412.575 -0.206 20 0 HBADRP C[NH+]1CC[C@@](O)(CNC(=O)[C@@H](CC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)CC(C)(C)C)C1 ZINC000564330542 1072062519 /nfs/dbraw/zinc/06/25/19/1072062519.db2.gz OLBZZLHIHHIFJA-ORYQWCPZSA-N 2 0 412.575 -0.206 20 0 HBADRP C[NH+]1CC[C@@](O)(CNC(=O)[C@H](CC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)CC(C)(C)C)C1 ZINC000564330543 1072062362 /nfs/dbraw/zinc/06/23/62/1072062362.db2.gz OLBZZLHIHHIFJA-TYCQWZJGSA-N 2 0 412.575 -0.206 20 0 HBADRP CCn1nccc1N1CCC[C@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1=O ZINC000564334298 1072067551 /nfs/dbraw/zinc/06/75/51/1072067551.db2.gz KGVXMLIVMJHZEB-INIZCTEOSA-N 2 0 421.546 -0.534 20 0 HBADRP CCn1nccc1N1CCC[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1=O ZINC000564334300 1072067441 /nfs/dbraw/zinc/06/74/41/1072067441.db2.gz KGVXMLIVMJHZEB-MRXNPFEDSA-N 2 0 421.546 -0.534 20 0 HBADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000564343531 1072074740 /nfs/dbraw/zinc/07/47/40/1072074740.db2.gz PQSOVGFXHNNPIK-KRWDZBQOSA-N 2 0 409.575 -0.160 20 0 HBADRP CN(c1ccccc1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)S(C)(=O)=O ZINC000568832740 1070437769 /nfs/dbraw/zinc/43/77/69/1070437769.db2.gz QOUXIDOAVNWLOQ-UHFFFAOYSA-N 2 0 413.544 -0.027 20 0 HBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000570114767 1068950360 /nfs/dbraw/zinc/95/03/60/1068950360.db2.gz APYNYHCHSGUDDD-GUDVDZBRSA-N 2 0 409.575 -0.302 20 0 HBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000570308446 1068958867 /nfs/dbraw/zinc/95/88/67/1068958867.db2.gz NBIIEQZROSTELK-SFHVURJKSA-N 2 0 424.590 -0.813 20 0 HBADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000570973782 1070710921 /nfs/dbraw/zinc/71/09/21/1070710921.db2.gz CVGITUOFKCCPOD-KRWDZBQOSA-N 2 0 407.559 -0.010 20 0 HBADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000570973784 1070710314 /nfs/dbraw/zinc/71/03/14/1070710314.db2.gz CVGITUOFKCCPOD-QGZVFWFLSA-N 2 0 407.559 -0.010 20 0 HBADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)NC[C@H]2C[NH+](C)CCN2C)CC1 ZINC000571311187 1070716601 /nfs/dbraw/zinc/71/66/01/1070716601.db2.gz WDEMPBGTKYGCDM-IBGZPJMESA-N 2 0 411.591 -0.055 20 0 HBADRP COCC[N@H+](C)CCCC1CCN(C(=O)C(=O)NC[C@@H]2C[NH+](C)CCN2C)CC1 ZINC000571311188 1070716816 /nfs/dbraw/zinc/71/68/16/1070716816.db2.gz WDEMPBGTKYGCDM-LJQANCHMSA-N 2 0 411.591 -0.055 20 0 HBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC1CCN(C(=O)c2ccoc2)CC1 ZINC000571541908 1070720930 /nfs/dbraw/zinc/72/09/30/1070720930.db2.gz AZFQNUBPKNBLIN-UHFFFAOYSA-N 2 0 407.515 -0.048 20 0 HBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1cnc(N2CCOCC2)c(F)c1 ZINC000571806987 1070735065 /nfs/dbraw/zinc/73/50/65/1070735065.db2.gz UKYSTKJPWRGKCM-UHFFFAOYSA-N 2 0 424.521 -0.375 20 0 HBADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000573359137 1070865161 /nfs/dbraw/zinc/86/51/61/1070865161.db2.gz RNGAJBLRDZZTPP-PMACEKPBSA-N 2 0 423.602 -0.035 20 0 HBADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000573359141 1070865588 /nfs/dbraw/zinc/86/55/88/1070865588.db2.gz RNGAJBLRDZZTPP-UXHICEINSA-N 2 0 423.602 -0.035 20 0 HBADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000573359143 1070864889 /nfs/dbraw/zinc/86/48/89/1070864889.db2.gz RNGAJBLRDZZTPP-VQTJNVASSA-N 2 0 423.602 -0.035 20 0 HBADRP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000573359145 1070865396 /nfs/dbraw/zinc/86/53/96/1070865396.db2.gz RNGAJBLRDZZTPP-WOJBJXKFSA-N 2 0 423.602 -0.035 20 0 HBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000573790206 1070885934 /nfs/dbraw/zinc/88/59/34/1070885934.db2.gz IYKVZYSBNKGPSR-KRWDZBQOSA-N 2 0 404.515 -0.355 20 0 HBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000573790207 1070886346 /nfs/dbraw/zinc/88/63/46/1070886346.db2.gz IYKVZYSBNKGPSR-QGZVFWFLSA-N 2 0 404.515 -0.355 20 0 HBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]2[NH+](C)CCCC2(C)C)CC1 ZINC000574083485 1070904338 /nfs/dbraw/zinc/90/43/38/1070904338.db2.gz JEDQHPLVQDAXAE-DLBZAZTESA-N 2 0 407.559 -0.012 20 0 HBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]2[NH+](C)CCCC2(C)C)CC1 ZINC000574083489 1070903958 /nfs/dbraw/zinc/90/39/58/1070903958.db2.gz JEDQHPLVQDAXAE-IAGOWNOFSA-N 2 0 407.559 -0.012 20 0 HBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2[NH+](C)CCCC2(C)C)CC1 ZINC000574083491 1070904205 /nfs/dbraw/zinc/90/42/05/1070904205.db2.gz JEDQHPLVQDAXAE-IRXDYDNUSA-N 2 0 407.559 -0.012 20 0 HBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2[NH+](C)CCCC2(C)C)CC1 ZINC000574083601 1070904293 /nfs/dbraw/zinc/90/42/93/1070904293.db2.gz JEDQHPLVQDAXAE-SJORKVTESA-N 2 0 407.559 -0.012 20 0 HBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)cn1 ZINC000574419614 1070921910 /nfs/dbraw/zinc/92/19/10/1070921910.db2.gz MWBQIMBCVCRODP-IBGZPJMESA-N 2 0 405.503 -0.946 20 0 HBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)cn1 ZINC000574419615 1070922235 /nfs/dbraw/zinc/92/22/35/1070922235.db2.gz MWBQIMBCVCRODP-LJQANCHMSA-N 2 0 405.503 -0.946 20 0 HBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000574579344 1070932957 /nfs/dbraw/zinc/93/29/57/1070932957.db2.gz DBPDKZFFZLKNCP-MOPGFXCFSA-N 2 0 411.591 -0.151 20 0 HBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000574579345 1070933418 /nfs/dbraw/zinc/93/34/18/1070933418.db2.gz DBPDKZFFZLKNCP-OALUTQOASA-N 2 0 411.591 -0.151 20 0 HBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000574579346 1070933250 /nfs/dbraw/zinc/93/32/50/1070933250.db2.gz DBPDKZFFZLKNCP-RBUKOAKNSA-N 2 0 411.591 -0.151 20 0 HBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000574579347 1070932828 /nfs/dbraw/zinc/93/28/28/1070932828.db2.gz DBPDKZFFZLKNCP-RTBURBONSA-N 2 0 411.591 -0.151 20 0 HBADRP COCCN1CCN(C(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000574818672 1070943844 /nfs/dbraw/zinc/94/38/44/1070943844.db2.gz ZSHNPIOKWLDNLW-UHFFFAOYSA-N 2 0 418.542 -0.500 20 0 HBADRP CN(CCCNC(=O)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1)S(C)(=O)=O ZINC000574972863 1070946737 /nfs/dbraw/zinc/94/67/37/1070946737.db2.gz PVFXZFROQNZUQA-UHFFFAOYSA-N 2 0 404.577 -0.182 20 0 HBADRP C[C@H](O)C[C@H]1COCCN1C(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000579688187 1068208849 /nfs/dbraw/zinc/20/88/49/1068208849.db2.gz GEYFBIMJGNNCJM-HKUYNNGSSA-N 2 0 419.526 -0.292 20 0 HBADRP C[C@@H](O)C[C@@H]1COCCN1C(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000579688188 1068208592 /nfs/dbraw/zinc/20/85/92/1068208592.db2.gz GEYFBIMJGNNCJM-IEBWSBKVSA-N 2 0 419.526 -0.292 20 0 HBADRP C[C@@H](O)C[C@H]1COCCN1C(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000579688189 1068208625 /nfs/dbraw/zinc/20/86/25/1068208625.db2.gz GEYFBIMJGNNCJM-MJGOQNOKSA-N 2 0 419.526 -0.292 20 0 HBADRP C[C@H](O)C[C@@H]1COCCN1C(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000579688190 1068208645 /nfs/dbraw/zinc/20/86/45/1068208645.db2.gz GEYFBIMJGNNCJM-PKOBYXMFSA-N 2 0 419.526 -0.292 20 0 HBADRP CC(C)[C@H](CNC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1)N1CC[NH+](C)CC1 ZINC000580100716 1068373153 /nfs/dbraw/zinc/37/31/53/1068373153.db2.gz NIYGLARPERSRRS-IBGZPJMESA-N 2 0 411.591 -0.056 20 0 HBADRP CC(C)[C@@H](CNC(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1)N1CC[NH+](C)CC1 ZINC000580100717 1068373497 /nfs/dbraw/zinc/37/34/97/1068373497.db2.gz NIYGLARPERSRRS-LJQANCHMSA-N 2 0 411.591 -0.056 20 0 HBADRP C[C@@H](CN1CCCC1=O)NC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000580176535 1068382600 /nfs/dbraw/zinc/38/26/00/1068382600.db2.gz TZBRETJQUVLGON-KRWDZBQOSA-N 2 0 416.526 -0.163 20 0 HBADRP C[C@H](CN1CCCC1=O)NC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000580176536 1068382379 /nfs/dbraw/zinc/38/23/79/1068382379.db2.gz TZBRETJQUVLGON-QGZVFWFLSA-N 2 0 416.526 -0.163 20 0 HBADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)CC1 ZINC000580364971 1068392605 /nfs/dbraw/zinc/39/26/05/1068392605.db2.gz GPRXULWBMCEBLF-UHFFFAOYSA-N 2 0 405.543 -0.256 20 0 HBADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CCSC1 ZINC000580471520 1068403688 /nfs/dbraw/zinc/40/36/88/1068403688.db2.gz VUTKENOOCHXLTH-BEFAXECRSA-N 2 0 411.572 -0.695 20 0 HBADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CCSC1 ZINC000580471521 1068403862 /nfs/dbraw/zinc/40/38/62/1068403862.db2.gz VUTKENOOCHXLTH-DNVCBOLYSA-N 2 0 411.572 -0.695 20 0 HBADRP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CCSC1 ZINC000580471522 1069327296 /nfs/dbraw/zinc/32/72/96/1069327296.db2.gz VUTKENOOCHXLTH-HNAYVOBHSA-N 2 0 411.572 -0.695 20 0 HBADRP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CCSC1 ZINC000580471523 1068403560 /nfs/dbraw/zinc/40/35/60/1068403560.db2.gz VUTKENOOCHXLTH-KXBFYZLASA-N 2 0 411.572 -0.695 20 0 HBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000581205680 1068467018 /nfs/dbraw/zinc/46/70/18/1068467018.db2.gz NZMTUQSQHWRNHU-IBGZPJMESA-N 2 0 413.588 -0.401 20 0 HBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000581205683 1068467263 /nfs/dbraw/zinc/46/72/63/1068467263.db2.gz NZMTUQSQHWRNHU-LJQANCHMSA-N 2 0 413.588 -0.401 20 0 HBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1cccnc1N1CCOCC1 ZINC000581206151 1068468015 /nfs/dbraw/zinc/46/80/15/1068468015.db2.gz UGOWIQFPKFAWKM-UHFFFAOYSA-N 2 0 406.531 -0.514 20 0 HBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000581386778 1068484285 /nfs/dbraw/zinc/48/42/85/1068484285.db2.gz MWSTWYMEPLWOJX-GOSISDBHSA-N 2 0 405.543 -0.005 20 0 HBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000581386779 1068484405 /nfs/dbraw/zinc/48/44/05/1068484405.db2.gz MWSTWYMEPLWOJX-SFHVURJKSA-N 2 0 405.543 -0.005 20 0 HBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000581451112 1068492259 /nfs/dbraw/zinc/49/22/59/1068492259.db2.gz MQTIVISIPNIIPF-CYBMUJFWSA-N 2 0 409.453 -0.392 20 0 HBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000581451113 1068492230 /nfs/dbraw/zinc/49/22/30/1068492230.db2.gz MQTIVISIPNIIPF-ZDUSSCGKSA-N 2 0 409.453 -0.392 20 0 HBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)C1 ZINC000581561883 1068498056 /nfs/dbraw/zinc/49/80/56/1068498056.db2.gz OOPODAJWXBLEDU-IBGZPJMESA-N 2 0 411.591 -0.056 20 0 HBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)C1 ZINC000581561884 1068498020 /nfs/dbraw/zinc/49/80/20/1068498020.db2.gz OOPODAJWXBLEDU-LJQANCHMSA-N 2 0 411.591 -0.056 20 0 HBADRP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)NCCCC[NH+]2CCN(CCO)CC2)C1 ZINC000581599484 1068501187 /nfs/dbraw/zinc/50/11/87/1068501187.db2.gz IMEQABQHWZZSSQ-MOPGFXCFSA-N 2 0 409.575 -0.565 20 0 HBADRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)NCCCC[NH+]2CCN(CCO)CC2)C1 ZINC000581599485 1068501438 /nfs/dbraw/zinc/50/14/38/1068501438.db2.gz IMEQABQHWZZSSQ-OALUTQOASA-N 2 0 409.575 -0.565 20 0 HBADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NCCCC[NH+]2CCN(CCO)CC2)C1 ZINC000581599486 1068501581 /nfs/dbraw/zinc/50/15/81/1068501581.db2.gz IMEQABQHWZZSSQ-RBUKOAKNSA-N 2 0 409.575 -0.565 20 0 HBADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NCCCC[NH+]2CCN(CCO)CC2)C1 ZINC000581599487 1068501300 /nfs/dbraw/zinc/50/13/00/1068501300.db2.gz IMEQABQHWZZSSQ-RTBURBONSA-N 2 0 409.575 -0.565 20 0 HBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000581900112 1068538972 /nfs/dbraw/zinc/53/89/72/1068538972.db2.gz HWNVCQHTRNYHSJ-GOSISDBHSA-N 2 0 418.542 -0.323 20 0 HBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000581900113 1068538871 /nfs/dbraw/zinc/53/88/71/1068538871.db2.gz HWNVCQHTRNYHSJ-SFHVURJKSA-N 2 0 418.542 -0.323 20 0 HBADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)CC1 ZINC000582112523 1068657350 /nfs/dbraw/zinc/65/73/50/1068657350.db2.gz BEYMMWHXMMXRTK-UHFFFAOYSA-N 2 0 409.575 -0.301 20 0 HBADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000582196687 1068668788 /nfs/dbraw/zinc/66/87/88/1068668788.db2.gz ZURIYHFPNCTXBH-IBGZPJMESA-N 2 0 409.575 -0.160 20 0 HBADRP COCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000582196688 1068668456 /nfs/dbraw/zinc/66/84/56/1068668456.db2.gz ZURIYHFPNCTXBH-LJQANCHMSA-N 2 0 409.575 -0.160 20 0 HBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)CC1 ZINC000582255768 1068673044 /nfs/dbraw/zinc/67/30/44/1068673044.db2.gz LUUYLJCNDHCNOT-UHFFFAOYSA-N 2 0 424.590 -0.857 20 0 HBADRP O=C(NCCCN1CCCC1=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000582373669 1068685966 /nfs/dbraw/zinc/68/59/66/1068685966.db2.gz FCMZUBJGMNAOKY-UHFFFAOYSA-N 2 0 416.526 -0.161 20 0 HBADRP C[C@H]1C[C@@H](CO)CC[NH+]1CC(=O)N1CCN(C(=O)C[N@H+]2CC[C@H](CO)C[C@@H]2C)CC1 ZINC000582444129 1068692971 /nfs/dbraw/zinc/69/29/71/1068692971.db2.gz SUEVWJVRMHPDFF-MUGJNUQGSA-N 2 0 424.586 -0.157 20 0 HBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)CC1 ZINC000582448357 1068694428 /nfs/dbraw/zinc/69/44/28/1068694428.db2.gz BKEPTOOJDVHVAW-UHFFFAOYSA-N 2 0 407.559 -0.010 20 0 HBADRP CNC(=O)[C@@]1(C)CCN(C(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000582550395 1068701794 /nfs/dbraw/zinc/70/17/94/1068701794.db2.gz PXWXGNHBOMXRKQ-NRFANRHFSA-N 2 0 416.526 -0.306 20 0 HBADRP CNC(=O)[C@]1(C)CCN(C(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000582550400 1068701695 /nfs/dbraw/zinc/70/16/95/1068701695.db2.gz PXWXGNHBOMXRKQ-OAQYLSRUSA-N 2 0 416.526 -0.306 20 0 HBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000582569676 1068703422 /nfs/dbraw/zinc/70/34/22/1068703422.db2.gz ZBBOJRFSAUHRJR-HOJAQTOUSA-N 2 0 423.602 -0.130 20 0 HBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000582569680 1068703124 /nfs/dbraw/zinc/70/31/24/1068703124.db2.gz ZBBOJRFSAUHRJR-MISYRCLQSA-N 2 0 423.602 -0.130 20 0 HBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000582569681 1068703452 /nfs/dbraw/zinc/70/34/52/1068703452.db2.gz ZBBOJRFSAUHRJR-RLLQIKCJSA-N 2 0 423.602 -0.130 20 0 HBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000582569682 1068703561 /nfs/dbraw/zinc/70/35/61/1068703561.db2.gz ZBBOJRFSAUHRJR-YZGWKJHDSA-N 2 0 423.602 -0.130 20 0 HBADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000582716797 1068720683 /nfs/dbraw/zinc/72/06/83/1068720683.db2.gz IXMYZLXWKFXODB-MSOLQXFVSA-N 2 0 407.559 -0.012 20 0 HBADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000582716798 1068720293 /nfs/dbraw/zinc/72/02/93/1068720293.db2.gz IXMYZLXWKFXODB-QZTJIDSGSA-N 2 0 407.559 -0.012 20 0 HBADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000582716799 1068720539 /nfs/dbraw/zinc/72/05/39/1068720539.db2.gz IXMYZLXWKFXODB-ROUUACIJSA-N 2 0 407.559 -0.012 20 0 HBADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000582716800 1068720413 /nfs/dbraw/zinc/72/04/13/1068720413.db2.gz IXMYZLXWKFXODB-ZWKOTPCHSA-N 2 0 407.559 -0.012 20 0 HBADRP CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000583135485 1068761240 /nfs/dbraw/zinc/76/12/40/1068761240.db2.gz ZDBWSVYAAPCWSP-UHFFFAOYSA-N 2 0 413.544 -0.837 20 0 HBADRP C[C@@H]1CN(CC(=O)N2CCN(C(=O)CN3C[C@@H](C)[N@@H+](C)[C@@H](C)C3)CC2)C[C@H](C)[NH+]1C ZINC000583218503 1068768663 /nfs/dbraw/zinc/76/86/63/1068768663.db2.gz AYYIWDGTUBYSHU-FGYAAKKASA-N 2 0 422.618 -0.294 20 0 HBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCCN(Cc2ccccn2)C1=O ZINC000583343032 1068778939 /nfs/dbraw/zinc/77/89/39/1068778939.db2.gz CLUVERMYSWMXAB-GOSISDBHSA-N 2 0 418.542 -0.359 20 0 HBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCCN(Cc2ccccn2)C1=O ZINC000583343033 1068779165 /nfs/dbraw/zinc/77/91/65/1068779165.db2.gz CLUVERMYSWMXAB-SFHVURJKSA-N 2 0 418.542 -0.359 20 0 HBADRP C[NH+](C)CC1(CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CCCC1 ZINC000583461625 1068788517 /nfs/dbraw/zinc/78/85/17/1068788517.db2.gz WGDRIFVMJSVYHF-KRWDZBQOSA-N 2 0 407.559 -0.010 20 0 HBADRP C[NH+](C)CC1(CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CCCC1 ZINC000583461626 1068788620 /nfs/dbraw/zinc/78/86/20/1068788620.db2.gz WGDRIFVMJSVYHF-QGZVFWFLSA-N 2 0 407.559 -0.010 20 0 HBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000583862921 1068830518 /nfs/dbraw/zinc/83/05/18/1068830518.db2.gz BCMCFJIIQRWCAH-GOSISDBHSA-N 3 0 418.542 -0.453 20 0 HBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000583862922 1068831147 /nfs/dbraw/zinc/83/11/47/1068831147.db2.gz BCMCFJIIQRWCAH-SFHVURJKSA-N 3 0 418.542 -0.453 20 0 HBADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000583949246 1068834813 /nfs/dbraw/zinc/83/48/13/1068834813.db2.gz SJLZMLPCBPSPET-GOSISDBHSA-N 2 0 409.575 -0.158 20 0 HBADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000583949273 1068834716 /nfs/dbraw/zinc/83/47/16/1068834716.db2.gz UDGNZJKYDKHYCL-FQEVSTJZSA-N 2 0 416.570 -0.323 20 0 HBADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000583949274 1068834926 /nfs/dbraw/zinc/83/49/26/1068834926.db2.gz UDGNZJKYDKHYCL-HXUWFJFHSA-N 2 0 416.570 -0.323 20 0 HBADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)CCCO1 ZINC000584312782 1068853658 /nfs/dbraw/zinc/85/36/58/1068853658.db2.gz NDWPHTHFPHMXJF-MSOLQXFVSA-N 2 0 423.558 -0.632 20 0 HBADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)CCCO1 ZINC000584312783 1068853787 /nfs/dbraw/zinc/85/37/87/1068853787.db2.gz NDWPHTHFPHMXJF-QZTJIDSGSA-N 2 0 423.558 -0.632 20 0 HBADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)CCCO1 ZINC000584312784 1068853838 /nfs/dbraw/zinc/85/38/38/1068853838.db2.gz NDWPHTHFPHMXJF-ROUUACIJSA-N 2 0 423.558 -0.632 20 0 HBADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)CCCO1 ZINC000584312785 1068853554 /nfs/dbraw/zinc/85/35/54/1068853554.db2.gz NDWPHTHFPHMXJF-ZWKOTPCHSA-N 2 0 423.558 -0.632 20 0 HBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]2CCCC[NH+]2C2CC2)CC1 ZINC000584343827 1068856219 /nfs/dbraw/zinc/85/62/19/1068856219.db2.gz OKOKHJNOSJARBI-MSOLQXFVSA-N 2 0 405.543 -0.116 20 0 HBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]2CCCC[NH+]2C2CC2)CC1 ZINC000584343828 1068856376 /nfs/dbraw/zinc/85/63/76/1068856376.db2.gz OKOKHJNOSJARBI-QZTJIDSGSA-N 2 0 405.543 -0.116 20 0 HBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2CCCC[NH+]2C2CC2)CC1 ZINC000584343829 1068856169 /nfs/dbraw/zinc/85/61/69/1068856169.db2.gz OKOKHJNOSJARBI-ROUUACIJSA-N 2 0 405.543 -0.116 20 0 HBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2CCCC[NH+]2C2CC2)CC1 ZINC000584343830 1068856116 /nfs/dbraw/zinc/85/61/16/1068856116.db2.gz OKOKHJNOSJARBI-ZWKOTPCHSA-N 2 0 405.543 -0.116 20 0 HBADRP COc1ccc(C[N@@H+]2CCCN(C(=O)CN3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)CC2)cc1 ZINC000584731295 1069100891 /nfs/dbraw/zinc/10/08/91/1069100891.db2.gz GMHLLVFEXDPVIL-AZUAARDMSA-N 2 0 415.538 -0.027 20 0 HBADRP COc1ccc(C[N@@H+]2CCCN(C(=O)CN3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)CC2)cc1 ZINC000584731299 1069100677 /nfs/dbraw/zinc/10/06/77/1069100677.db2.gz GMHLLVFEXDPVIL-ICSRJNTNSA-N 2 0 415.538 -0.027 20 0 HBADRP COc1ccc(C[N@@H+]2CCCN(C(=O)CN3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)CC2)cc1 ZINC000584731300 1069100753 /nfs/dbraw/zinc/10/07/53/1069100753.db2.gz GMHLLVFEXDPVIL-QUCCMNQESA-N 2 0 415.538 -0.027 20 0 HBADRP COc1ccc(C[N@@H+]2CCCN(C(=O)CN3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)CC2)cc1 ZINC000584731302 1069100806 /nfs/dbraw/zinc/10/08/06/1069100806.db2.gz GMHLLVFEXDPVIL-UYAOXDASSA-N 2 0 415.538 -0.027 20 0 HBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@H]3CCN(C4CC[NH+](C)CC4)C3)C2)CC1 ZINC000588236880 1069018361 /nfs/dbraw/zinc/01/83/61/1069018361.db2.gz WANNPPCTXUXTDU-AZUAARDMSA-N 2 0 420.602 -0.491 20 0 HBADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N[C@H]3CCN(C4CC[NH+](C)CC4)C3)C2)CC1 ZINC000588236881 1070738543 /nfs/dbraw/zinc/73/85/43/1070738543.db2.gz WANNPPCTXUXTDU-ICSRJNTNSA-N 2 0 420.602 -0.491 20 0 HBADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N[C@@H]3CCN(C4CC[NH+](C)CC4)C3)C2)CC1 ZINC000588236882 1070738604 /nfs/dbraw/zinc/73/86/04/1070738604.db2.gz WANNPPCTXUXTDU-QUCCMNQESA-N 2 0 420.602 -0.491 20 0 HBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@@H]3CCN(C4CC[NH+](C)CC4)C3)C2)CC1 ZINC000588236883 1070738446 /nfs/dbraw/zinc/73/84/46/1070738446.db2.gz WANNPPCTXUXTDU-UYAOXDASSA-N 2 0 420.602 -0.491 20 0 HBADRP CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000590707542 1070827838 /nfs/dbraw/zinc/82/78/38/1070827838.db2.gz VGLJVDUPHCSPBN-IBGZPJMESA-N 2 0 416.526 -0.163 20 0 HBADRP CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000590707546 1070827758 /nfs/dbraw/zinc/82/77/58/1070827758.db2.gz VGLJVDUPHCSPBN-LJQANCHMSA-N 2 0 416.526 -0.163 20 0 HBADRP Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000590817401 1070831545 /nfs/dbraw/zinc/83/15/45/1070831545.db2.gz CQSAFSWDENPLEO-UHFFFAOYSA-N 2 0 415.560 -0.389 20 0 HBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 ZINC000590817503 1070830853 /nfs/dbraw/zinc/83/08/53/1070830853.db2.gz FBDIBFFNBYJUMX-UHFFFAOYSA-N 2 0 402.517 -0.134 20 0 HBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCC([NH+]3CCC[C@H]3C(N)=O)CC2)C1 ZINC000591080565 1070841557 /nfs/dbraw/zinc/84/15/57/1070841557.db2.gz MFXBENSKMHJQGR-MOPGFXCFSA-N 2 0 409.575 -0.127 20 0 HBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCC([NH+]3CCC[C@H]3C(N)=O)CC2)C1 ZINC000591080566 1070841139 /nfs/dbraw/zinc/84/11/39/1070841139.db2.gz MFXBENSKMHJQGR-OALUTQOASA-N 2 0 409.575 -0.127 20 0 HBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCC([NH+]3CCC[C@@H]3C(N)=O)CC2)C1 ZINC000591080567 1070842004 /nfs/dbraw/zinc/84/20/04/1070842004.db2.gz MFXBENSKMHJQGR-RBUKOAKNSA-N 2 0 409.575 -0.127 20 0 HBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCC([NH+]3CCC[C@@H]3C(N)=O)CC2)C1 ZINC000591080568 1070841734 /nfs/dbraw/zinc/84/17/34/1070841734.db2.gz MFXBENSKMHJQGR-RTBURBONSA-N 2 0 409.575 -0.127 20 0 HBADRP C[NH+]1CCN(CCNC(=O)[C@@H]2CCC[C@H](C(=O)NCCN3CC[NH+](C)CC3)C2)CC1 ZINC000591116220 1070845580 /nfs/dbraw/zinc/84/55/80/1070845580.db2.gz SJWIDWAJGFQWMF-BGYRXZFFSA-N 2 0 422.618 -0.480 20 0 HBADRP C[NH+]1CCN(CCNC(=O)[C@H]2CCC[C@H](C(=O)NCCN3CC[NH+](C)CC3)C2)CC1 ZINC000591116221 1070845081 /nfs/dbraw/zinc/84/50/81/1070845081.db2.gz SJWIDWAJGFQWMF-PMACEKPBSA-N 2 0 422.618 -0.480 20 0 HBADRP C[NH+]1CCN(CCNC(=O)[C@@H]2CCC[C@@H](C(=O)NCCN3CC[NH+](C)CC3)C2)CC1 ZINC000591116222 1070845256 /nfs/dbraw/zinc/84/52/56/1070845256.db2.gz SJWIDWAJGFQWMF-WOJBJXKFSA-N 2 0 422.618 -0.480 20 0 HBADRP COCC[NH+]1CCCN(C(=O)COCC(=O)N2CCC[N@@H+](CCOC)CC2)CC1 ZINC000591799583 1070878708 /nfs/dbraw/zinc/87/87/08/1070878708.db2.gz KOLDNTXWPGNFRG-UHFFFAOYSA-N 2 0 414.547 -0.636 20 0 HBADRP C[NH+]1CCN(c2ccc(CNC(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)cn2)CC1 ZINC000594080155 1070929154 /nfs/dbraw/zinc/92/91/54/1070929154.db2.gz AVNHNBYGBKLNNQ-KRWDZBQOSA-N 2 0 403.531 -0.028 20 0 HBADRP C[NH+]1CCN(c2ccc(CNC(=O)NCCC[N@@H+]3CCC[C@@H]3C(N)=O)cn2)CC1 ZINC000594080164 1070928957 /nfs/dbraw/zinc/92/89/57/1070928957.db2.gz AVNHNBYGBKLNNQ-QGZVFWFLSA-N 2 0 403.531 -0.028 20 0 HBADRP C[NH+]1CCN(c2ncccc2CNC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000594106971 1070928630 /nfs/dbraw/zinc/92/86/30/1070928630.db2.gz SZDVBELXZYHOOO-KRWDZBQOSA-N 2 0 403.531 -0.028 20 0 HBADRP C[NH+]1CCN(c2ncccc2CNC(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000594106972 1070928766 /nfs/dbraw/zinc/92/87/66/1070928766.db2.gz SZDVBELXZYHOOO-QGZVFWFLSA-N 2 0 403.531 -0.028 20 0 HBADRP O=C(NCCCN1C(=O)CNC1=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000594986016 1070944544 /nfs/dbraw/zinc/94/45/44/1070944544.db2.gz DIGCYWGADOZHQV-UHFFFAOYSA-N 2 0 403.487 -0.165 20 0 HBADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N[C@H]3CCN(C4CC[NH+](C)CC4)C3)C2)CC1 ZINC000602283676 1070976889 /nfs/dbraw/zinc/97/68/89/1070976889.db2.gz UDLMTSARXGXSEG-HDICACEKSA-N 2 0 420.602 -0.444 20 0 HBADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N[C@@H]3CCN(C4CC[NH+](C)CC4)C3)C2)CC1 ZINC000602283678 1070977036 /nfs/dbraw/zinc/97/70/36/1070977036.db2.gz UDLMTSARXGXSEG-QZTJIDSGSA-N 2 0 420.602 -0.444 20 0 HBADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N[C@H]3CCN(C4CC[NH+](C)CC4)C3)C2)CC1 ZINC000602283682 1070977006 /nfs/dbraw/zinc/97/70/06/1070977006.db2.gz UDLMTSARXGXSEG-ROUUACIJSA-N 2 0 420.602 -0.444 20 0 HBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)CC1=O ZINC000604372139 1071023323 /nfs/dbraw/zinc/02/33/23/1071023323.db2.gz NIXGKHDZIBTPFR-HSALFYBXSA-N 2 0 421.586 -0.158 20 0 HBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)CC1=O ZINC000604372141 1071022541 /nfs/dbraw/zinc/02/25/41/1071022541.db2.gz NIXGKHDZIBTPFR-SLFFLAALSA-N 2 0 421.586 -0.158 20 0 HBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)CC1=O ZINC000604372142 1071022988 /nfs/dbraw/zinc/02/29/88/1071022988.db2.gz NIXGKHDZIBTPFR-VAMGGRTRSA-N 2 0 421.586 -0.158 20 0 HBADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)CC1=O ZINC000604372143 1071023456 /nfs/dbraw/zinc/02/34/56/1071023456.db2.gz NIXGKHDZIBTPFR-XUVXKRRUSA-N 2 0 421.586 -0.158 20 0 HBADRP C[NH+]1CCN(c2cc(C(=O)N[C@H]3CC[N@H+](CCN4CCOCC4)C3)ccn2)CC1 ZINC000604373119 1071025304 /nfs/dbraw/zinc/02/53/04/1071025304.db2.gz QQUKATPWXYOYDR-IBGZPJMESA-N 2 0 402.543 -0.030 20 0 HBADRP C[NH+]1CCN(c2cc(C(=O)N[C@@H]3CC[N@H+](CCN4CCOCC4)C3)ccn2)CC1 ZINC000604373121 1071025286 /nfs/dbraw/zinc/02/52/86/1071025286.db2.gz QQUKATPWXYOYDR-LJQANCHMSA-N 2 0 402.543 -0.030 20 0 HBADRP C[NH+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3CCN([C@H]4CCC[N@@H+](C)C4)CC3)CC2)C1 ZINC000604421985 1071028558 /nfs/dbraw/zinc/02/85/58/1071028558.db2.gz GVTBDTSBBUZSFZ-BGYRXZFFSA-N 2 0 420.602 -0.537 20 0 HBADRP C[NH+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CCN([C@H]4CCC[N@@H+](C)C4)CC3)CC2)C1 ZINC000604421986 1071028627 /nfs/dbraw/zinc/02/86/27/1071028627.db2.gz GVTBDTSBBUZSFZ-PMACEKPBSA-N 2 0 420.602 -0.537 20 0 HBADRP C[NH+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3CCN([C@@H]4CCC[N@@H+](C)C4)CC3)CC2)C1 ZINC000604421987 1071028787 /nfs/dbraw/zinc/02/87/87/1071028787.db2.gz GVTBDTSBBUZSFZ-WOJBJXKFSA-N 2 0 420.602 -0.537 20 0 HBADRP CC(C)[C@H](CNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[NH+]1CCN(C)CC1 ZINC000604636913 1071032630 /nfs/dbraw/zinc/03/26/30/1071032630.db2.gz DXJNNIOGIZCZQZ-PMACEKPBSA-N 2 0 410.607 -0.036 20 0 HBADRP CC(C)[C@H](CNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[NH+]1CCN(C)CC1 ZINC000604636914 1071032519 /nfs/dbraw/zinc/03/25/19/1071032519.db2.gz DXJNNIOGIZCZQZ-UXHICEINSA-N 2 0 410.607 -0.036 20 0 HBADRP CC(C)[C@@H](CNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[NH+]1CCN(C)CC1 ZINC000604636915 1071032760 /nfs/dbraw/zinc/03/27/60/1071032760.db2.gz DXJNNIOGIZCZQZ-VQTJNVASSA-N 2 0 410.607 -0.036 20 0 HBADRP CC(C)[C@@H](CNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[NH+]1CCN(C)CC1 ZINC000604636916 1071032705 /nfs/dbraw/zinc/03/27/05/1071032705.db2.gz DXJNNIOGIZCZQZ-WOJBJXKFSA-N 2 0 410.607 -0.036 20 0 HBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000604649720 1071033219 /nfs/dbraw/zinc/03/32/19/1071033219.db2.gz VMEFQJSLDBMBCT-MOPGFXCFSA-N 2 0 424.590 -0.365 20 0 HBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000604649721 1071033415 /nfs/dbraw/zinc/03/34/15/1071033415.db2.gz VMEFQJSLDBMBCT-OALUTQOASA-N 2 0 424.590 -0.365 20 0 HBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000604649722 1071033345 /nfs/dbraw/zinc/03/33/45/1071033345.db2.gz VMEFQJSLDBMBCT-RBUKOAKNSA-N 2 0 424.590 -0.365 20 0 HBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000604649723 1071033072 /nfs/dbraw/zinc/03/30/72/1071033072.db2.gz VMEFQJSLDBMBCT-RTBURBONSA-N 2 0 424.590 -0.365 20 0 HBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000604653777 1071034047 /nfs/dbraw/zinc/03/40/47/1071034047.db2.gz PPSMQECLWBVSSQ-IBGZPJMESA-N 2 0 424.590 -0.365 20 0 HBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000604653778 1071033989 /nfs/dbraw/zinc/03/39/89/1071033989.db2.gz PPSMQECLWBVSSQ-LJQANCHMSA-N 2 0 424.590 -0.365 20 0 HBADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H]3CC[NH+](CCN4CCOCC4)C3)C2)CC1 ZINC000604656825 1071033965 /nfs/dbraw/zinc/03/39/65/1071033965.db2.gz WPEVAXDXAJRCBX-MOPGFXCFSA-N 2 0 408.591 -0.139 20 0 HBADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)N[C@H]3CC[NH+](CCN4CCOCC4)C3)C2)CC1 ZINC000604656826 1071033844 /nfs/dbraw/zinc/03/38/44/1071033844.db2.gz WPEVAXDXAJRCBX-OALUTQOASA-N 2 0 408.591 -0.139 20 0 HBADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@H]3CC[NH+](CCN4CCOCC4)C3)C2)CC1 ZINC000604656827 1071034076 /nfs/dbraw/zinc/03/40/76/1071034076.db2.gz WPEVAXDXAJRCBX-RBUKOAKNSA-N 2 0 408.591 -0.139 20 0 HBADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@@H]3CC[NH+](CCN4CCOCC4)C3)C2)CC1 ZINC000604656828 1071034023 /nfs/dbraw/zinc/03/40/23/1071034023.db2.gz WPEVAXDXAJRCBX-RTBURBONSA-N 2 0 408.591 -0.139 20 0 HBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)N[C@H]3CC[NH+](CCN4CCOCC4)C3)CC2)C1 ZINC000604668122 1071036075 /nfs/dbraw/zinc/03/60/75/1071036075.db2.gz SLZNJKYGSFITBN-PMACEKPBSA-N 2 0 408.591 -0.186 20 0 HBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)N[C@@H]3CC[NH+](CCN4CCOCC4)C3)CC2)C1 ZINC000604668123 1071036354 /nfs/dbraw/zinc/03/63/54/1071036354.db2.gz SLZNJKYGSFITBN-UXHICEINSA-N 2 0 408.591 -0.186 20 0 HBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)N[C@H]3CC[NH+](CCN4CCOCC4)C3)CC2)C1 ZINC000604668124 1071036467 /nfs/dbraw/zinc/03/64/67/1071036467.db2.gz SLZNJKYGSFITBN-VQTJNVASSA-N 2 0 408.591 -0.186 20 0 HBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)N[C@@H]3CC[NH+](CCN4CCOCC4)C3)CC2)C1 ZINC000604668125 1071036025 /nfs/dbraw/zinc/03/60/25/1071036025.db2.gz SLZNJKYGSFITBN-WOJBJXKFSA-N 2 0 408.591 -0.186 20 0 HBADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000604668362 1071035271 /nfs/dbraw/zinc/03/52/71/1071035271.db2.gz ZPTQMBZTBIDGEC-IBGZPJMESA-N 2 0 422.574 -0.658 20 0 HBADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000604668363 1071035595 /nfs/dbraw/zinc/03/55/95/1071035595.db2.gz ZPTQMBZTBIDGEC-LJQANCHMSA-N 2 0 422.574 -0.658 20 0 HBADRP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604668392 1071035374 /nfs/dbraw/zinc/03/53/74/1071035374.db2.gz AAABULXTDUDIBQ-BGYRXZFFSA-N 2 0 424.590 -0.901 20 0 HBADRP O=C(N[C@H]1CC[NH+](CCN2CCOCC2)C1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604668393 1071035476 /nfs/dbraw/zinc/03/54/76/1071035476.db2.gz AAABULXTDUDIBQ-PMACEKPBSA-N 2 0 424.590 -0.901 20 0 HBADRP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000604668394 1071035620 /nfs/dbraw/zinc/03/56/20/1071035620.db2.gz AAABULXTDUDIBQ-WOJBJXKFSA-N 2 0 424.590 -0.901 20 0 HBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000604668483 1071034792 /nfs/dbraw/zinc/03/47/92/1071034792.db2.gz CRBGYGIMWLNJGZ-IBGZPJMESA-N 2 0 424.590 -0.412 20 0 HBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000604668484 1071034729 /nfs/dbraw/zinc/03/47/29/1071034729.db2.gz CRBGYGIMWLNJGZ-LJQANCHMSA-N 2 0 424.590 -0.412 20 0 HBADRP CS(=O)(=O)N[C@H]1CCC[NH+](CCCC[N@H+]2CCC[C@H](NS(C)(=O)=O)C2)C1 ZINC000607151171 1071130791 /nfs/dbraw/zinc/13/07/91/1071130791.db2.gz ROFSZMWHIMWKSJ-HOTGVXAUSA-N 2 0 410.606 -0.206 20 0 HBADRP CS(=O)(=O)N[C@@H]1CCC[NH+](CCCC[N@H+]2CCC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000607151173 1071130739 /nfs/dbraw/zinc/13/07/39/1071130739.db2.gz ROFSZMWHIMWKSJ-HZPDHXFCSA-N 2 0 410.606 -0.206 20 0 HBADRP CS(=O)(=O)N[C@@H]1CCC[NH+](CCCC[N@H+]2CCC[C@H](NS(C)(=O)=O)C2)C1 ZINC000607151174 1071130642 /nfs/dbraw/zinc/13/06/42/1071130642.db2.gz ROFSZMWHIMWKSJ-IYBDPMFKSA-N 2 0 410.606 -0.206 20 0 HBADRP O=C(C[NH+]1CCC[C@@H](CCO)C1)N1CCN(C(=O)C[N@H+]2CCC[C@H](CCO)C2)CC1 ZINC000607732893 1071149058 /nfs/dbraw/zinc/14/90/58/1071149058.db2.gz BAKHPVPRKJBAMX-BGYRXZFFSA-N 2 0 424.586 -0.154 20 0 HBADRP O=C(C[NH+]1CCC[C@@H](CCO)C1)N1CCN(C(=O)C[N@H+]2CCC[C@@H](CCO)C2)CC1 ZINC000607732894 1071149168 /nfs/dbraw/zinc/14/91/68/1071149168.db2.gz BAKHPVPRKJBAMX-PMACEKPBSA-N 2 0 424.586 -0.154 20 0 HBADRP O=C(C[NH+]1CCC[C@H](CCO)C1)N1CCN(C(=O)C[N@H+]2CCC[C@H](CCO)C2)CC1 ZINC000607732895 1071149298 /nfs/dbraw/zinc/14/92/98/1071149298.db2.gz BAKHPVPRKJBAMX-WOJBJXKFSA-N 2 0 424.586 -0.154 20 0 HBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000608687968 1071178811 /nfs/dbraw/zinc/17/88/11/1071178811.db2.gz PHOMHQPMOJJBSI-PMACEKPBSA-N 2 0 410.607 -0.034 20 0 HBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000608687975 1071178866 /nfs/dbraw/zinc/17/88/66/1071178866.db2.gz PHOMHQPMOJJBSI-UXHICEINSA-N 2 0 410.607 -0.034 20 0 HBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000608687976 1071178704 /nfs/dbraw/zinc/17/87/04/1071178704.db2.gz PHOMHQPMOJJBSI-VQTJNVASSA-N 2 0 410.607 -0.034 20 0 HBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000608687977 1071179192 /nfs/dbraw/zinc/17/91/92/1071179192.db2.gz PHOMHQPMOJJBSI-WOJBJXKFSA-N 2 0 410.607 -0.034 20 0 HBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000608690743 1071179248 /nfs/dbraw/zinc/17/92/48/1071179248.db2.gz HMFKNUJBFJCCRO-MSOLQXFVSA-N 2 0 410.563 -0.721 20 0 HBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000608690748 1071179014 /nfs/dbraw/zinc/17/90/14/1071179014.db2.gz HMFKNUJBFJCCRO-QZTJIDSGSA-N 2 0 410.563 -0.721 20 0 HBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000608690750 1071179222 /nfs/dbraw/zinc/17/92/22/1071179222.db2.gz HMFKNUJBFJCCRO-ROUUACIJSA-N 2 0 410.563 -0.721 20 0 HBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000608690753 1071179091 /nfs/dbraw/zinc/17/90/91/1071179091.db2.gz HMFKNUJBFJCCRO-ZWKOTPCHSA-N 2 0 410.563 -0.721 20 0 HBADRP CC[NH+]1CCN([C@H]2CCN(C(=O)N[C@H]3CC[N@H+](CCN4CCOCC4)C3)C2)CC1 ZINC000609686705 1072071741 /nfs/dbraw/zinc/07/17/41/1072071741.db2.gz XLDIOWFVBYBVDQ-PMACEKPBSA-N 2 0 408.591 -0.186 20 0 HBADRP CC[NH+]1CCN([C@H]2CCN(C(=O)N[C@@H]3CC[N@H+](CCN4CCOCC4)C3)C2)CC1 ZINC000609686706 1072071838 /nfs/dbraw/zinc/07/18/38/1072071838.db2.gz XLDIOWFVBYBVDQ-UXHICEINSA-N 2 0 408.591 -0.186 20 0 HBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)N[C@H]3CC[N@H+](CCN4CCOCC4)C3)C2)CC1 ZINC000609686707 1072071685 /nfs/dbraw/zinc/07/16/85/1072071685.db2.gz XLDIOWFVBYBVDQ-VQTJNVASSA-N 2 0 408.591 -0.186 20 0 HBADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)N[C@@H]3CC[N@H+](CCN4CCOCC4)C3)C2)CC1 ZINC000609686708 1072071775 /nfs/dbraw/zinc/07/17/75/1072071775.db2.gz XLDIOWFVBYBVDQ-WOJBJXKFSA-N 2 0 408.591 -0.186 20 0 HBADRP COC(=O)c1c(NCCN2CC[NH+](C)CC2)ncnc1NCCN1CC[NH+](C)CC1 ZINC000610928847 1069590280 /nfs/dbraw/zinc/59/02/80/1069590280.db2.gz MQBMNZIUFBYHOM-UHFFFAOYSA-N 2 0 420.562 -0.418 20 0 HBADRP COC(=O)c1c(N2CCC[NH+](CCO)CC2)ncnc1N1CCC[N@H+](CCO)CC1 ZINC000610929320 1068604358 /nfs/dbraw/zinc/60/43/58/1068604358.db2.gz BDBOBOXNJPAZFT-UHFFFAOYSA-N 2 0 422.530 -0.728 20 0 HBADRP O=C(CNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)NCC[NH+]1CCCCCC1 ZINC000644901285 1068473073 /nfs/dbraw/zinc/47/30/73/1068473073.db2.gz SRIBPTLOYYHDCR-IBGZPJMESA-N 2 0 424.590 -0.316 20 0 HBADRP O=C(CNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)NCC[NH+]1CCCCCC1 ZINC000644901286 1068473000 /nfs/dbraw/zinc/47/30/00/1068473000.db2.gz SRIBPTLOYYHDCR-LJQANCHMSA-N 2 0 424.590 -0.316 20 0 HBADRP O=S(=O)(CCCS(=O)(=O)N[C@H]1CC[N@@H+](C2CC2)C1)N[C@H]1CC[NH+](C2CC2)C1 ZINC000669624996 1070972039 /nfs/dbraw/zinc/97/20/39/1070972039.db2.gz RRVUGFMOHQMEBZ-GJZGRUSLSA-N 2 0 420.601 -0.311 20 0 HBADRP O=S(=O)(CCCS(=O)(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000669624997 1070971829 /nfs/dbraw/zinc/97/18/29/1070971829.db2.gz RRVUGFMOHQMEBZ-HUUCEWRRSA-N 2 0 420.601 -0.311 20 0 HBADRP CS(=O)(=O)NC1CC(NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000669857808 1071327136 /nfs/dbraw/zinc/32/71/36/1071327136.db2.gz LMFAQAVYTYACKI-UHFFFAOYSA-N 2 0 410.544 -0.027 20 0 HBADRP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000670623539 1072013912 /nfs/dbraw/zinc/01/39/12/1072013912.db2.gz PNNBVWROFQRRGL-FQEVSTJZSA-N 2 0 417.554 -0.243 20 0 HBADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000670623540 1072013876 /nfs/dbraw/zinc/01/38/76/1072013876.db2.gz PNNBVWROFQRRGL-HXUWFJFHSA-N 2 0 417.554 -0.243 20 0 HBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000670671162 1072048728 /nfs/dbraw/zinc/04/87/28/1072048728.db2.gz MZTIOVSHINMWFZ-HKUYNNGSSA-N 2 0 409.575 -0.256 20 0 HBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000670671163 1072048563 /nfs/dbraw/zinc/04/85/63/1072048563.db2.gz MZTIOVSHINMWFZ-IEBWSBKVSA-N 2 0 409.575 -0.256 20 0 HBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000670671164 1072048610 /nfs/dbraw/zinc/04/86/10/1072048610.db2.gz MZTIOVSHINMWFZ-MJGOQNOKSA-N 2 0 409.575 -0.256 20 0 HBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000670671165 1072048689 /nfs/dbraw/zinc/04/86/89/1072048689.db2.gz MZTIOVSHINMWFZ-PKOBYXMFSA-N 2 0 409.575 -0.256 20 0 HBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCN([C@@H]3CCC[NH+](C)C3)CC2)C1 ZINC000670671889 1072050975 /nfs/dbraw/zinc/05/09/75/1072050975.db2.gz YXYJIPBOUCPACR-MOPGFXCFSA-N 2 0 409.575 -0.302 20 0 HBADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCN([C@H]3CCC[NH+](C)C3)CC2)C1 ZINC000670671890 1072050897 /nfs/dbraw/zinc/05/08/97/1072050897.db2.gz YXYJIPBOUCPACR-OALUTQOASA-N 2 0 409.575 -0.302 20 0 HBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCN([C@H]3CCC[NH+](C)C3)CC2)C1 ZINC000670671891 1072050690 /nfs/dbraw/zinc/05/06/90/1072050690.db2.gz YXYJIPBOUCPACR-RBUKOAKNSA-N 2 0 409.575 -0.302 20 0 HBADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)N2CCN([C@@H]3CCC[NH+](C)C3)CC2)C1 ZINC000670671892 1072050537 /nfs/dbraw/zinc/05/05/37/1072050537.db2.gz YXYJIPBOUCPACR-RTBURBONSA-N 2 0 409.575 -0.302 20 0 HBADRP CC(C)[C@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)N1CC[NH+](C)CC1 ZINC000670833483 1072110855 /nfs/dbraw/zinc/11/08/55/1072110855.db2.gz ZHPIPBCNLRWEAZ-PMACEKPBSA-N 2 0 422.618 -0.387 20 0 HBADRP CC(C)[C@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)N1CC[NH+](C)CC1 ZINC000670833484 1072110914 /nfs/dbraw/zinc/11/09/14/1072110914.db2.gz ZHPIPBCNLRWEAZ-UXHICEINSA-N 2 0 422.618 -0.387 20 0 HBADRP CC(C)[C@@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)N1CC[NH+](C)CC1 ZINC000670833485 1072111008 /nfs/dbraw/zinc/11/10/08/1072111008.db2.gz ZHPIPBCNLRWEAZ-VQTJNVASSA-N 2 0 422.618 -0.387 20 0 HBADRP CC(C)[C@@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)N1CC[NH+](C)CC1 ZINC000670833486 1072111093 /nfs/dbraw/zinc/11/10/93/1072111093.db2.gz ZHPIPBCNLRWEAZ-WOJBJXKFSA-N 2 0 422.618 -0.387 20 0 HBADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000670877948 1072122718 /nfs/dbraw/zinc/12/27/18/1072122718.db2.gz LHPUHGYPFSQRIJ-GOSISDBHSA-N 2 0 408.591 -0.587 20 0 HBADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000670877949 1072122784 /nfs/dbraw/zinc/12/27/84/1072122784.db2.gz LHPUHGYPFSQRIJ-SFHVURJKSA-N 2 0 408.591 -0.587 20 0 HBADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000670877987 1072122699 /nfs/dbraw/zinc/12/26/99/1072122699.db2.gz ZPIVXGKGZAUSCW-IBGZPJMESA-N 2 0 408.591 -0.633 20 0 HBADRP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000670877988 1069501859 /nfs/dbraw/zinc/50/18/59/1069501859.db2.gz ZPIVXGKGZAUSCW-LJQANCHMSA-N 2 0 408.591 -0.633 20 0 HBADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000671033653 1072152540 /nfs/dbraw/zinc/15/25/40/1072152540.db2.gz SJLZMLPCBPSPET-SFHVURJKSA-N 2 0 409.575 -0.158 20 0 HBADRP CCN1CC[NH+](CCCCNC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000671036304 1072153214 /nfs/dbraw/zinc/15/32/14/1072153214.db2.gz BHFNJAWKFZMDGQ-FQEVSTJZSA-N 2 0 422.618 -0.241 20 0 HBADRP CCN1CC[NH+](CCCCNC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000671036305 1072153307 /nfs/dbraw/zinc/15/33/07/1072153307.db2.gz BHFNJAWKFZMDGQ-HXUWFJFHSA-N 2 0 422.618 -0.241 20 0 HBADRP C[C@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)C[NH+]1CCN(C)CC1 ZINC000671171611 1072181596 /nfs/dbraw/zinc/18/15/96/1072181596.db2.gz TYDXGDJBMCQSSJ-MOPGFXCFSA-N 2 0 408.591 -0.776 20 0 HBADRP C[C@@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)C[NH+]1CCN(C)CC1 ZINC000671171612 1072181541 /nfs/dbraw/zinc/18/15/41/1072181541.db2.gz TYDXGDJBMCQSSJ-OALUTQOASA-N 2 0 408.591 -0.776 20 0 HBADRP C[C@@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)C[NH+]1CCN(C)CC1 ZINC000671171613 1072181380 /nfs/dbraw/zinc/18/13/80/1072181380.db2.gz TYDXGDJBMCQSSJ-RBUKOAKNSA-N 2 0 408.591 -0.776 20 0 HBADRP C[C@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)C[NH+]1CCN(C)CC1 ZINC000671171614 1072181342 /nfs/dbraw/zinc/18/13/42/1072181342.db2.gz TYDXGDJBMCQSSJ-RTBURBONSA-N 2 0 408.591 -0.776 20 0 HBADRP C[C@@H](CNC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)C[NH+]1CCN(C)CC1 ZINC000671171729 1072181633 /nfs/dbraw/zinc/18/16/33/1072181633.db2.gz ZLQQQIYLKBGFNL-AZUAARDMSA-N 2 0 422.618 -0.387 20 0 HBADRP C[C@@H](CNC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)C[NH+]1CCN(C)CC1 ZINC000671171730 1072181635 /nfs/dbraw/zinc/18/16/35/1072181635.db2.gz ZLQQQIYLKBGFNL-ICSRJNTNSA-N 2 0 422.618 -0.387 20 0 HBADRP C[C@H](CNC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)C[NH+]1CCN(C)CC1 ZINC000671171731 1072181434 /nfs/dbraw/zinc/18/14/34/1072181434.db2.gz ZLQQQIYLKBGFNL-QUCCMNQESA-N 2 0 422.618 -0.387 20 0 HBADRP C[C@H](CNC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)C[NH+]1CCN(C)CC1 ZINC000671171732 1072181280 /nfs/dbraw/zinc/18/12/80/1072181280.db2.gz ZLQQQIYLKBGFNL-UYAOXDASSA-N 2 0 422.618 -0.387 20 0 HBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000671172893 1072182174 /nfs/dbraw/zinc/18/21/74/1072182174.db2.gz OVCWPUZDNGWARV-MOPGFXCFSA-N 2 0 422.618 -0.339 20 0 HBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000671172894 1072182242 /nfs/dbraw/zinc/18/22/42/1072182242.db2.gz OVCWPUZDNGWARV-OALUTQOASA-N 2 0 422.618 -0.339 20 0 HBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000671172895 1072182031 /nfs/dbraw/zinc/18/20/31/1072182031.db2.gz OVCWPUZDNGWARV-RBUKOAKNSA-N 2 0 422.618 -0.339 20 0 HBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000671172896 1072182125 /nfs/dbraw/zinc/18/21/25/1072182125.db2.gz OVCWPUZDNGWARV-RTBURBONSA-N 2 0 422.618 -0.339 20 0 HBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000671172966 1072182134 /nfs/dbraw/zinc/18/21/34/1072182134.db2.gz XUIDKLOOCXXDKR-PMACEKPBSA-N 2 0 422.618 -0.385 20 0 HBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000671172967 1072182274 /nfs/dbraw/zinc/18/22/74/1072182274.db2.gz XUIDKLOOCXXDKR-UXHICEINSA-N 2 0 422.618 -0.385 20 0 HBADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000671172968 1072182071 /nfs/dbraw/zinc/18/20/71/1072182071.db2.gz XUIDKLOOCXXDKR-VQTJNVASSA-N 2 0 422.618 -0.385 20 0 HBADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000671172969 1072182178 /nfs/dbraw/zinc/18/21/78/1072182178.db2.gz XUIDKLOOCXXDKR-WOJBJXKFSA-N 2 0 422.618 -0.385 20 0 HBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000671869322 1069127146 /nfs/dbraw/zinc/12/71/46/1069127146.db2.gz OYKVYYLQJQKCPP-UHFFFAOYSA-N 3 0 419.574 -0.599 20 0 HBADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000671981086 1069143957 /nfs/dbraw/zinc/14/39/57/1069143957.db2.gz LAXPILZVWSDQLV-INIZCTEOSA-N 2 0 402.499 -0.566 20 0 HBADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000671981087 1069144344 /nfs/dbraw/zinc/14/43/44/1069144344.db2.gz LAXPILZVWSDQLV-MRXNPFEDSA-N 2 0 402.499 -0.566 20 0 HBADRP C[C@H]1CC(=O)NCCN1C(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000672001702 1069150069 /nfs/dbraw/zinc/15/00/69/1069150069.db2.gz ALDWFRIPZXJOFZ-INIZCTEOSA-N 2 0 402.499 -0.553 20 0 HBADRP C[C@@H]1CC(=O)NCCN1C(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000672001703 1069150287 /nfs/dbraw/zinc/15/02/87/1069150287.db2.gz ALDWFRIPZXJOFZ-MRXNPFEDSA-N 2 0 402.499 -0.553 20 0 HBADRP CC(C)(C)C(=O)NCCNC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000672001852 1069149698 /nfs/dbraw/zinc/14/96/98/1069149698.db2.gz UUQDVPVTLJBTJK-UHFFFAOYSA-N 2 0 418.542 -0.012 20 0 HBADRP C[C@@H](O)CN(C(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H](C)CO ZINC000672001869 1069149619 /nfs/dbraw/zinc/14/96/19/1069149619.db2.gz QFNQHVMEZQGGKQ-DLBZAZTESA-N 2 0 407.515 -0.700 20 0 HBADRP C[C@@H](O)CN(C(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H](C)CO ZINC000672001876 1069149464 /nfs/dbraw/zinc/14/94/64/1069149464.db2.gz QFNQHVMEZQGGKQ-IAGOWNOFSA-N 2 0 407.515 -0.700 20 0 HBADRP C[C@H](O)CN(C(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H](C)CO ZINC000672001877 1069149589 /nfs/dbraw/zinc/14/95/89/1069149589.db2.gz QFNQHVMEZQGGKQ-IRXDYDNUSA-N 2 0 407.515 -0.700 20 0 HBADRP C[C@H](CO)N(C[C@H](C)O)C(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000672001878 1069149500 /nfs/dbraw/zinc/14/95/00/1069149500.db2.gz QFNQHVMEZQGGKQ-SJORKVTESA-N 2 0 407.515 -0.700 20 0 HBADRP COC1(CO)CCN(C(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000672001917 1069149686 /nfs/dbraw/zinc/14/96/86/1069149686.db2.gz MICFUUJEDBYINE-UHFFFAOYSA-N 2 0 419.526 -0.290 20 0 HBADRP C[C@H](NC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CN(C)CCO1 ZINC000672002310 1069150887 /nfs/dbraw/zinc/15/08/87/1069150887.db2.gz BRZLOZRVAIYASH-HKUYNNGSSA-N 2 0 418.542 -0.455 20 0 HBADRP C[C@@H](NC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H]1CN(C)CCO1 ZINC000672002311 1069151270 /nfs/dbraw/zinc/15/12/70/1069151270.db2.gz BRZLOZRVAIYASH-IEBWSBKVSA-N 2 0 418.542 -0.455 20 0 HBADRP C[C@@H](NC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CN(C)CCO1 ZINC000672002312 1069151078 /nfs/dbraw/zinc/15/10/78/1069151078.db2.gz BRZLOZRVAIYASH-MJGOQNOKSA-N 2 0 418.542 -0.455 20 0 HBADRP C[C@H](NC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H]1CN(C)CCO1 ZINC000672002313 1069150826 /nfs/dbraw/zinc/15/08/26/1069150826.db2.gz BRZLOZRVAIYASH-PKOBYXMFSA-N 2 0 418.542 -0.455 20 0 HBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000672111120 1069190082 /nfs/dbraw/zinc/19/00/82/1069190082.db2.gz AXRIKMCQVWXZGY-GOSISDBHSA-N 2 0 416.526 -0.211 20 0 HBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000672111121 1069189911 /nfs/dbraw/zinc/18/99/11/1069189911.db2.gz AXRIKMCQVWXZGY-SFHVURJKSA-N 2 0 416.526 -0.211 20 0 HBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672164389 1069205653 /nfs/dbraw/zinc/20/56/53/1069205653.db2.gz JPZXWBFWFMWLMA-MOPGFXCFSA-N 2 0 409.575 -0.160 20 0 HBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672164390 1069205511 /nfs/dbraw/zinc/20/55/11/1069205511.db2.gz JPZXWBFWFMWLMA-OALUTQOASA-N 2 0 409.575 -0.160 20 0 HBADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672164391 1069206016 /nfs/dbraw/zinc/20/60/16/1069206016.db2.gz JPZXWBFWFMWLMA-RBUKOAKNSA-N 2 0 409.575 -0.160 20 0 HBADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672164392 1069205858 /nfs/dbraw/zinc/20/58/58/1069205858.db2.gz JPZXWBFWFMWLMA-RTBURBONSA-N 2 0 409.575 -0.160 20 0 HBADRP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000672165905 1069205954 /nfs/dbraw/zinc/20/59/54/1069205954.db2.gz JBZDVCAOVOVDBZ-GOSISDBHSA-N 2 0 409.575 -0.112 20 0 HBADRP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000672165906 1069205760 /nfs/dbraw/zinc/20/57/60/1069205760.db2.gz JBZDVCAOVOVDBZ-SFHVURJKSA-N 2 0 409.575 -0.112 20 0 HBADRP COCCC[NH+]1CCC(NC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000672165953 1069205991 /nfs/dbraw/zinc/20/59/91/1069205991.db2.gz YHFSDPXRYOGYKL-IBGZPJMESA-N 2 0 409.575 -0.158 20 0 HBADRP COCCC[NH+]1CCC(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000672165954 1069206005 /nfs/dbraw/zinc/20/60/05/1069206005.db2.gz YHFSDPXRYOGYKL-LJQANCHMSA-N 2 0 409.575 -0.158 20 0 HBADRP C[N@@H+]1CCC[C@H](NC(=O)C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000672301552 1069219582 /nfs/dbraw/zinc/21/95/82/1069219582.db2.gz ZIWXMMZUDIZZQN-KRWDZBQOSA-N 2 0 403.531 -0.295 20 0 HBADRP C[N@@H+]1CCC[C@@H](NC(=O)C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000672301553 1069219158 /nfs/dbraw/zinc/21/91/58/1069219158.db2.gz ZIWXMMZUDIZZQN-QGZVFWFLSA-N 2 0 403.531 -0.295 20 0 HBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCC3([NH+]4CCCC4)CCOCC3)CC2)C1 ZINC000672313314 1069221176 /nfs/dbraw/zinc/22/11/76/1069221176.db2.gz AMVOODIXRIWNPY-IBGZPJMESA-N 2 0 421.586 -0.014 20 0 HBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCC3([NH+]4CCCC4)CCOCC3)CC2)C1 ZINC000672313315 1069221995 /nfs/dbraw/zinc/22/19/95/1069221995.db2.gz AMVOODIXRIWNPY-LJQANCHMSA-N 2 0 421.586 -0.014 20 0 HBADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000672331134 1069223281 /nfs/dbraw/zinc/22/32/81/1069223281.db2.gz MWUOXPMPHVGVIO-KRWDZBQOSA-N 2 0 405.543 -0.114 20 0 HBADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000672331135 1069223121 /nfs/dbraw/zinc/22/31/21/1069223121.db2.gz MWUOXPMPHVGVIO-QGZVFWFLSA-N 2 0 405.543 -0.114 20 0 HBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672457833 1069238960 /nfs/dbraw/zinc/23/89/60/1069238960.db2.gz CIFJTOMOMCONOI-INIZCTEOSA-N 2 0 418.542 -0.568 20 0 HBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672457834 1069238915 /nfs/dbraw/zinc/23/89/15/1069238915.db2.gz CIFJTOMOMCONOI-MRXNPFEDSA-N 2 0 418.542 -0.568 20 0 HBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)CC1 ZINC000672513111 1069243659 /nfs/dbraw/zinc/24/36/59/1069243659.db2.gz RNODQABKCSMYJK-AEFFLSMTSA-N 2 0 407.559 -0.012 20 0 HBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)CC1 ZINC000672513112 1069243804 /nfs/dbraw/zinc/24/38/04/1069243804.db2.gz RNODQABKCSMYJK-FUHWJXTLSA-N 2 0 407.559 -0.012 20 0 HBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)CC1 ZINC000672513113 1069243995 /nfs/dbraw/zinc/24/39/95/1069243995.db2.gz RNODQABKCSMYJK-SJLPKXTDSA-N 2 0 407.559 -0.012 20 0 HBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)CC1 ZINC000672513114 1069244008 /nfs/dbraw/zinc/24/40/08/1069244008.db2.gz RNODQABKCSMYJK-WMZOPIPTSA-N 2 0 407.559 -0.012 20 0 HBADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000672513188 1069243366 /nfs/dbraw/zinc/24/33/66/1069243366.db2.gz GIDQHBHMVCODSL-UHFFFAOYSA-N 2 0 416.526 -0.211 20 0 HBADRP C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)NC[C@H]3C[N@H+](C)CCN3C)CC2)C[C@@H](C)O1 ZINC000672596843 1069250407 /nfs/dbraw/zinc/25/04/07/1069250407.db2.gz RSECDSUHDYHSFH-LMMKCTJWSA-N 2 0 409.575 -0.304 20 0 HBADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)C(=O)NC[C@H]3C[NH+](C)CCN3C)CC2)C[C@H](C)O1 ZINC000672596844 1069250282 /nfs/dbraw/zinc/25/02/82/1069250282.db2.gz RSECDSUHDYHSFH-SCTDSRPQSA-N 2 0 409.575 -0.304 20 0 HBADRP C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)NC[C@@H]3C[N@H+](C)CCN3C)CC2)C[C@@H](C)O1 ZINC000672596845 1069250073 /nfs/dbraw/zinc/25/00/73/1069250073.db2.gz RSECDSUHDYHSFH-ZHALLVOQSA-N 2 0 409.575 -0.304 20 0 HBADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)C(=O)NC[C@@H]3C[NH+](C)CCN3C)CC2)C[C@H](C)O1 ZINC000672596846 1069250226 /nfs/dbraw/zinc/25/02/26/1069250226.db2.gz RSECDSUHDYHSFH-ZIFCJYIRSA-N 2 0 409.575 -0.304 20 0 HBADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)NCCN3CC[N@H+](C)C(C)(C)C3)C2)CC1 ZINC000672637976 1069254569 /nfs/dbraw/zinc/25/45/69/1069254569.db2.gz QCXQNXSDGITNNW-KRWDZBQOSA-N 2 0 408.591 -0.587 20 0 HBADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)NCCN3CC[N@H+](C)C(C)(C)C3)C2)CC1 ZINC000672637980 1069255716 /nfs/dbraw/zinc/25/57/16/1069255716.db2.gz QCXQNXSDGITNNW-QGZVFWFLSA-N 2 0 408.591 -0.587 20 0 HBADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672638041 1069255000 /nfs/dbraw/zinc/25/50/00/1069255000.db2.gz CPOAEBTXKCHCHI-MSOLQXFVSA-N 2 0 421.586 -0.017 20 0 HBADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672638045 1069255288 /nfs/dbraw/zinc/25/52/88/1069255288.db2.gz CPOAEBTXKCHCHI-QZTJIDSGSA-N 2 0 421.586 -0.017 20 0 HBADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000672639118 1069258195 /nfs/dbraw/zinc/25/81/95/1069258195.db2.gz ZHTXXNMHTKFOES-KRWDZBQOSA-N 2 0 409.575 -0.424 20 0 HBADRP C[N@H+](CCCO)C1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000672639119 1069258039 /nfs/dbraw/zinc/25/80/39/1069258039.db2.gz ZHTXXNMHTKFOES-QGZVFWFLSA-N 2 0 409.575 -0.424 20 0 HBADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCC[C@@H](C[NH+]4CCOCC4)C3)C2)CC1 ZINC000672639307 1069256601 /nfs/dbraw/zinc/25/66/01/1069256601.db2.gz AUBCVDQPXBSDHJ-OALUTQOASA-N 2 0 421.586 -0.158 20 0 HBADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCC[C@@H](C[NH+]4CCOCC4)C3)C2)CC1 ZINC000672639312 1069257097 /nfs/dbraw/zinc/25/70/97/1069257097.db2.gz AUBCVDQPXBSDHJ-RBUKOAKNSA-N 2 0 421.586 -0.158 20 0 HBADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCN([C@@H]4CCC[N@H+](C)C4)CC3)C2)CC1 ZINC000672639434 1069255112 /nfs/dbraw/zinc/25/51/12/1069255112.db2.gz CNSNVILLEKILGX-AZUAARDMSA-N 2 0 420.602 -0.491 20 0 HBADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCN([C@H]4CCC[N@H+](C)C4)CC3)C2)CC1 ZINC000672639435 1069255551 /nfs/dbraw/zinc/25/55/51/1069255551.db2.gz CNSNVILLEKILGX-ICSRJNTNSA-N 2 0 420.602 -0.491 20 0 HBADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCN([C@H]4CCC[N@H+](C)C4)CC3)C2)CC1 ZINC000672639436 1069255823 /nfs/dbraw/zinc/25/58/23/1069255823.db2.gz CNSNVILLEKILGX-QUCCMNQESA-N 2 0 420.602 -0.491 20 0 HBADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCN([C@@H]4CCC[N@H+](C)C4)CC3)C2)CC1 ZINC000672639437 1069255373 /nfs/dbraw/zinc/25/53/73/1069255373.db2.gz CNSNVILLEKILGX-UYAOXDASSA-N 2 0 420.602 -0.491 20 0 HBADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCC[C@H](C[NH+]4CCOCC4)C3)C2)CC1 ZINC000672640812 1069260710 /nfs/dbraw/zinc/26/07/10/1069260710.db2.gz AUBCVDQPXBSDHJ-MOPGFXCFSA-N 2 0 421.586 -0.158 20 0 HBADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCC[C@H](C[NH+]4CCOCC4)C3)C2)CC1 ZINC000672640813 1069260046 /nfs/dbraw/zinc/26/00/46/1069260046.db2.gz AUBCVDQPXBSDHJ-RTBURBONSA-N 2 0 421.586 -0.158 20 0 HBADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CCCO1 ZINC000672640867 1069260154 /nfs/dbraw/zinc/26/01/54/1069260154.db2.gz LAZJHBYSWUOFIP-MSOLQXFVSA-N 2 0 409.575 -0.112 20 0 HBADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CCCO1 ZINC000672640871 1069260468 /nfs/dbraw/zinc/26/04/68/1069260468.db2.gz LAZJHBYSWUOFIP-QZTJIDSGSA-N 2 0 409.575 -0.112 20 0 HBADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CCCO1 ZINC000672640872 1069260730 /nfs/dbraw/zinc/26/07/30/1069260730.db2.gz LAZJHBYSWUOFIP-ROUUACIJSA-N 2 0 409.575 -0.112 20 0 HBADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CCCO1 ZINC000672640873 1069260218 /nfs/dbraw/zinc/26/02/18/1069260218.db2.gz LAZJHBYSWUOFIP-ZWKOTPCHSA-N 2 0 409.575 -0.112 20 0 HBADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000672641048 1069259497 /nfs/dbraw/zinc/25/94/97/1069259497.db2.gz MOHGLXXNBSEMNM-KRWDZBQOSA-N 2 0 409.575 -0.160 20 0 HBADRP C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000672641049 1069260828 /nfs/dbraw/zinc/26/08/28/1069260828.db2.gz MOHGLXXNBSEMNM-QGZVFWFLSA-N 2 0 409.575 -0.160 20 0 HBADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C[C@H](C)O1 ZINC000672642203 1069261508 /nfs/dbraw/zinc/26/15/08/1069261508.db2.gz YZCOTUCLJWUAIV-FGTMMUONSA-N 2 0 409.575 -0.113 20 0 HBADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C[C@H](C)O1 ZINC000672642204 1069261606 /nfs/dbraw/zinc/26/16/06/1069261606.db2.gz YZCOTUCLJWUAIV-KSZLIROESA-N 2 0 409.575 -0.113 20 0 HBADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C[C@@H](C)O1 ZINC000672642205 1069261191 /nfs/dbraw/zinc/26/11/91/1069261191.db2.gz YZCOTUCLJWUAIV-KURKYZTESA-N 2 0 409.575 -0.113 20 0 HBADRP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C[C@@H](C)O1 ZINC000672642206 1069261293 /nfs/dbraw/zinc/26/12/93/1069261293.db2.gz YZCOTUCLJWUAIV-KZNAEPCWSA-N 2 0 409.575 -0.113 20 0 HBADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCC(C[NH+]4CCOCC4)CC3)C2)CC1 ZINC000672642350 1069260592 /nfs/dbraw/zinc/26/05/92/1069260592.db2.gz HFMCSVRCMOTKJV-IBGZPJMESA-N 2 0 421.586 -0.158 20 0 HBADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCC(C[NH+]4CCOCC4)CC3)C2)CC1 ZINC000672642351 1069260134 /nfs/dbraw/zinc/26/01/34/1069260134.db2.gz HFMCSVRCMOTKJV-LJQANCHMSA-N 2 0 421.586 -0.158 20 0 HBADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672642555 1069260811 /nfs/dbraw/zinc/26/08/11/1069260811.db2.gz CPOAEBTXKCHCHI-ROUUACIJSA-N 2 0 421.586 -0.017 20 0 HBADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672642556 1069260433 /nfs/dbraw/zinc/26/04/33/1069260433.db2.gz CPOAEBTXKCHCHI-ZWKOTPCHSA-N 2 0 421.586 -0.017 20 0 HBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672642609 1069261371 /nfs/dbraw/zinc/26/13/71/1069261371.db2.gz PAWFHQHOCLQJOS-HKUYNNGSSA-N 2 0 409.575 -0.160 20 0 HBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672642610 1069261318 /nfs/dbraw/zinc/26/13/18/1069261318.db2.gz PAWFHQHOCLQJOS-IEBWSBKVSA-N 2 0 409.575 -0.160 20 0 HBADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672642611 1069262323 /nfs/dbraw/zinc/26/23/23/1069262323.db2.gz PAWFHQHOCLQJOS-MJGOQNOKSA-N 2 0 409.575 -0.160 20 0 HBADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672642612 1069262141 /nfs/dbraw/zinc/26/21/41/1069262141.db2.gz PAWFHQHOCLQJOS-PKOBYXMFSA-N 2 0 409.575 -0.160 20 0 HBADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CC[NH+](CC4CCOCC4)CC3)C2)CC1 ZINC000672643474 1069262517 /nfs/dbraw/zinc/26/25/17/1069262517.db2.gz ZNOVQARNUJSXAG-IBGZPJMESA-N 2 0 421.586 -0.158 20 0 HBADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CC[NH+](CC4CCOCC4)CC3)C2)CC1 ZINC000672643475 1069262236 /nfs/dbraw/zinc/26/22/36/1069262236.db2.gz ZNOVQARNUJSXAG-LJQANCHMSA-N 2 0 421.586 -0.158 20 0 HBADRP CN(C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672854327 1069273571 /nfs/dbraw/zinc/27/35/71/1069273571.db2.gz SHFRLBRQZQAUAA-IBGZPJMESA-N 2 0 422.618 -0.245 20 0 HBADRP CN(C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672854328 1069273803 /nfs/dbraw/zinc/27/38/03/1069273803.db2.gz SHFRLBRQZQAUAA-LJQANCHMSA-N 2 0 422.618 -0.245 20 0 HBADRP C[NH+]1CCN(CCNC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CC1(C)C ZINC000672854681 1069273776 /nfs/dbraw/zinc/27/37/76/1069273776.db2.gz CPDZYXIAIMAVDM-GOSISDBHSA-N 2 0 408.591 -0.633 20 0 HBADRP C[NH+]1CCN(CCNC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CC1(C)C ZINC000672854682 1069273722 /nfs/dbraw/zinc/27/37/22/1069273722.db2.gz CPDZYXIAIMAVDM-SFHVURJKSA-N 2 0 408.591 -0.633 20 0 HBADRP CNS(=O)(=O)c1cc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccc1F ZINC000672966716 1069278584 /nfs/dbraw/zinc/27/85/84/1069278584.db2.gz BCFQTBDLPHVNEK-UHFFFAOYSA-N 2 0 417.507 -0.376 20 0 HBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NC3CC[NH+](C[C@@H]4CCOC4)CC3)CC2)C1 ZINC000673014922 1069280616 /nfs/dbraw/zinc/28/06/16/1069280616.db2.gz WRYCJFQSYSZILD-AZUAARDMSA-N 2 0 421.586 -0.158 20 0 HBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NC3CC[NH+](C[C@@H]4CCOC4)CC3)CC2)C1 ZINC000673014923 1069280797 /nfs/dbraw/zinc/28/07/97/1069280797.db2.gz WRYCJFQSYSZILD-ICSRJNTNSA-N 2 0 421.586 -0.158 20 0 HBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NC3CC[NH+](C[C@H]4CCOC4)CC3)CC2)C1 ZINC000673014924 1069280921 /nfs/dbraw/zinc/28/09/21/1069280921.db2.gz WRYCJFQSYSZILD-QUCCMNQESA-N 2 0 421.586 -0.158 20 0 HBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NC3CC[NH+](C[C@H]4CCOC4)CC3)CC2)C1 ZINC000673014925 1069280581 /nfs/dbraw/zinc/28/05/81/1069280581.db2.gz WRYCJFQSYSZILD-UYAOXDASSA-N 2 0 421.586 -0.158 20 0 HBADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CCN([C@H]3CCC[NH+](C)C3)CC2)CCCO1 ZINC000673428092 1069322718 /nfs/dbraw/zinc/32/27/18/1069322718.db2.gz XZOMQSJVRDAERR-MOPGFXCFSA-N 2 0 409.575 -0.158 20 0 HBADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2CCN([C@H]3CCC[NH+](C)C3)CC2)CCCO1 ZINC000673428094 1069322419 /nfs/dbraw/zinc/32/24/19/1069322419.db2.gz XZOMQSJVRDAERR-OALUTQOASA-N 2 0 409.575 -0.158 20 0 HBADRP C[C@H]1C[N@H+](CCCNC(=O)C(=O)N2CCN([C@@H]3CCC[NH+](C)C3)CC2)CCCO1 ZINC000673428096 1069322577 /nfs/dbraw/zinc/32/25/77/1069322577.db2.gz XZOMQSJVRDAERR-RBUKOAKNSA-N 2 0 409.575 -0.158 20 0 HBADRP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N2CCN([C@@H]3CCC[NH+](C)C3)CC2)CCCO1 ZINC000673428097 1069322298 /nfs/dbraw/zinc/32/22/98/1069322298.db2.gz XZOMQSJVRDAERR-RTBURBONSA-N 2 0 409.575 -0.158 20 0 HBADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)NC3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)C2)CC1 ZINC000673584418 1069368130 /nfs/dbraw/zinc/36/81/30/1069368130.db2.gz DJQBKSUZJCTNBH-DFQSSKMNSA-N 2 0 421.586 -0.235 20 0 HBADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)NC3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)C2)CC1 ZINC000673584419 1069367920 /nfs/dbraw/zinc/36/79/20/1069367920.db2.gz DJQBKSUZJCTNBH-IHPCNDPISA-N 2 0 421.586 -0.235 20 0 HBADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)NC3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)C2)CC1 ZINC000673584420 1069368097 /nfs/dbraw/zinc/36/80/97/1069368097.db2.gz DJQBKSUZJCTNBH-SXLOBPIMSA-N 2 0 421.586 -0.235 20 0 HBADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)NC3CC[NH+]([C@H]4CCC[C@H]4O)CC3)C2)CC1 ZINC000673584421 1069367839 /nfs/dbraw/zinc/36/78/39/1069367839.db2.gz DJQBKSUZJCTNBH-YSIASYRMSA-N 2 0 421.586 -0.235 20 0 HBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NC3CC[NH+]([C@H]4CCC[C@H]4O)CC3)CC2)C1 ZINC000673584551 1069367898 /nfs/dbraw/zinc/36/78/98/1069367898.db2.gz SQAGLMICTDPAIL-SLFFLAALSA-N 2 0 421.586 -0.281 20 0 HBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NC3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)CC2)C1 ZINC000673584552 1069367755 /nfs/dbraw/zinc/36/77/55/1069367755.db2.gz SQAGLMICTDPAIL-UFYCRDLUSA-N 2 0 421.586 -0.281 20 0 HBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NC3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)CC2)C1 ZINC000673584553 1069368054 /nfs/dbraw/zinc/36/80/54/1069368054.db2.gz SQAGLMICTDPAIL-XUVXKRRUSA-N 2 0 421.586 -0.281 20 0 HBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NC3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)CC2)C1 ZINC000673584554 1069367979 /nfs/dbraw/zinc/36/79/79/1069367979.db2.gz SQAGLMICTDPAIL-ZCNNSNEGSA-N 2 0 421.586 -0.281 20 0 HBADRP COc1nc(N2CC[NH+](C(C)(C)CO)CC2)nc(N2CC[NH+](C(C)(C)CO)CC2)n1 ZINC000674337345 1069440989 /nfs/dbraw/zinc/44/09/89/1069440989.db2.gz IAGBPSLZBILEIB-UHFFFAOYSA-N 2 0 423.562 -0.334 20 0 HBADRP CNc1nc(N2CC[NH+](C(C)(C)CO)CC2)nc(N2CC[NH+](C(C)(C)CO)CC2)n1 ZINC000675151219 1069481887 /nfs/dbraw/zinc/48/18/87/1069481887.db2.gz KLJIADPWILOJIL-UHFFFAOYSA-N 2 0 422.578 -0.879 20 0 HBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)CC1 ZINC000675993054 1069507269 /nfs/dbraw/zinc/50/72/69/1069507269.db2.gz WCIHAXNSIIMRPE-MOPGFXCFSA-N 2 0 422.574 -0.659 20 0 HBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)CC1 ZINC000675993055 1069507511 /nfs/dbraw/zinc/50/75/11/1069507511.db2.gz WCIHAXNSIIMRPE-OALUTQOASA-N 2 0 422.574 -0.659 20 0 HBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)CC1 ZINC000675993056 1069507618 /nfs/dbraw/zinc/50/76/18/1069507618.db2.gz WCIHAXNSIIMRPE-RBUKOAKNSA-N 2 0 422.574 -0.659 20 0 HBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)CC1 ZINC000675993057 1069507413 /nfs/dbraw/zinc/50/74/13/1069507413.db2.gz WCIHAXNSIIMRPE-RTBURBONSA-N 2 0 422.574 -0.659 20 0 HBADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000676092793 1069509111 /nfs/dbraw/zinc/50/91/11/1069509111.db2.gz ARNVCYCXNVNDBP-INIZCTEOSA-N 2 0 407.519 -0.558 20 0 HBADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000676092794 1069509160 /nfs/dbraw/zinc/50/91/60/1069509160.db2.gz ARNVCYCXNVNDBP-MRXNPFEDSA-N 2 0 407.519 -0.558 20 0 HBADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000676093893 1069509580 /nfs/dbraw/zinc/50/95/80/1069509580.db2.gz ARPDGICNJWUGON-UHFFFAOYSA-N 2 0 407.519 -0.604 20 0 HBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cn1 ZINC000676093941 1069509497 /nfs/dbraw/zinc/50/94/97/1069509497.db2.gz CGWDGSGABSGPAA-UHFFFAOYSA-N 2 0 405.503 -0.850 20 0 HBADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000676094883 1069509595 /nfs/dbraw/zinc/50/95/95/1069509595.db2.gz WENRCJBVHPDTEE-UHFFFAOYSA-N 2 0 411.466 -0.028 20 0 HBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cn1 ZINC000676095778 1069509460 /nfs/dbraw/zinc/50/94/60/1069509460.db2.gz WQGBYQHAJNJINS-HNNXBMFYSA-N 2 0 405.503 -0.900 20 0 HBADRP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cn1 ZINC000676095860 1069509538 /nfs/dbraw/zinc/50/95/38/1069509538.db2.gz WQGBYQHAJNJINS-OAHLLOKOSA-N 2 0 405.503 -0.900 20 0 HBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cn1 ZINC000676099447 1069510645 /nfs/dbraw/zinc/51/06/45/1069510645.db2.gz BAYQCTMWAGKALP-INIZCTEOSA-N 2 0 405.503 -0.852 20 0 HBADRP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cn1 ZINC000676099448 1069510567 /nfs/dbraw/zinc/51/05/67/1069510567.db2.gz BAYQCTMWAGKALP-MRXNPFEDSA-N 2 0 405.503 -0.852 20 0 HBADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000676100644 1069511116 /nfs/dbraw/zinc/51/11/16/1069511116.db2.gz VWDPRWMZCPESSF-KRWDZBQOSA-N 2 0 411.466 -0.029 20 0 HBADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000676100645 1069511207 /nfs/dbraw/zinc/51/12/07/1069511207.db2.gz VWDPRWMZCPESSF-QGZVFWFLSA-N 2 0 411.466 -0.029 20 0 HBADRP CNS(=O)(=O)[C@H]1CCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000676725452 1069534481 /nfs/dbraw/zinc/53/44/81/1069534481.db2.gz TYLWYCIFIXPNFZ-KRWDZBQOSA-N 2 0 410.544 -0.073 20 0 HBADRP CNS(=O)(=O)[C@@H]1CCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000676725453 1069534383 /nfs/dbraw/zinc/53/43/83/1069534383.db2.gz TYLWYCIFIXPNFZ-QGZVFWFLSA-N 2 0 410.544 -0.073 20 0 HBADRP C[C@@H](O)C[NH+]1CCN(c2cc(N3CC[NH+](C[C@H](C)O)CC3)n3ncnc3n2)CC1 ZINC000684572500 1068583278 /nfs/dbraw/zinc/58/32/78/1068583278.db2.gz GFUMCUQXUGTDCQ-CVEARBPZSA-N 2 0 404.519 -0.870 20 0 HBADRP C[C@@H](O)C[NH+]1CCN(c2cc(N3CC[NH+](C[C@H](C)O)CC3)nc3ncnn32)CC1 ZINC000684572503 1068583153 /nfs/dbraw/zinc/58/31/53/1068583153.db2.gz GFUMCUQXUGTDCQ-JKSUJKDBSA-N 2 0 404.519 -0.870 20 0 HBADRP CC(C)[C@](C)(CO)[NH2+]CC(=O)N1CCN(C(=O)C[NH2+][C@](C)(CO)C(C)C)CC1 ZINC000685598507 1068907920 /nfs/dbraw/zinc/90/79/20/1068907920.db2.gz ZJKYRKHPMBGVKY-BGYRXZFFSA-N 2 0 400.564 -0.350 20 0 HBADRP CC(C)[C@](C)(CO)[NH2+]CC(=O)N1CCN(C(=O)C[NH2+][C@@](C)(CO)C(C)C)CC1 ZINC000685598508 1068907966 /nfs/dbraw/zinc/90/79/66/1068907966.db2.gz ZJKYRKHPMBGVKY-PMACEKPBSA-N 2 0 400.564 -0.350 20 0 HBADRP CC(C)[C@@](C)(CO)[NH2+]CC(=O)N1CCN(C(=O)C[NH2+][C@](C)(CO)C(C)C)CC1 ZINC000685598509 1068907832 /nfs/dbraw/zinc/90/78/32/1068907832.db2.gz ZJKYRKHPMBGVKY-WOJBJXKFSA-N 2 0 400.564 -0.350 20 0 HBADRP CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000685759504 1068934034 /nfs/dbraw/zinc/93/40/34/1068934034.db2.gz UZWNBNYWEOKULP-UHFFFAOYSA-N 2 0 413.544 -0.125 20 0 HBADRP CS(=O)(=O)NCCNC(=S)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000727082178 1070982460 /nfs/dbraw/zinc/98/24/60/1070982460.db2.gz MYADLSYPTOMLLF-UHFFFAOYSA-N 2 0 400.574 -0.393 20 0 HBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000728611713 1068938724 /nfs/dbraw/zinc/93/87/24/1068938724.db2.gz ZKPWOUBOLIBRMA-AWEZNQCLSA-N 2 0 401.533 -0.896 20 0 HBADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000728611714 1068938748 /nfs/dbraw/zinc/93/87/48/1068938748.db2.gz ZKPWOUBOLIBRMA-CQSZACIVSA-N 2 0 401.533 -0.896 20 0 HBADRP CS(=O)(=O)N[C@H]1CC[NH+](CCCCCC[N@H+]2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000735077674 1069923252 /nfs/dbraw/zinc/92/32/52/1069923252.db2.gz DXYOKESVGVIXEZ-HOTGVXAUSA-N 2 0 410.606 -0.206 20 0 HBADRP CS(=O)(=O)N[C@@H]1CC[NH+](CCCCCC[N@H+]2CC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000735077675 1069923111 /nfs/dbraw/zinc/92/31/11/1069923111.db2.gz DXYOKESVGVIXEZ-HZPDHXFCSA-N 2 0 410.606 -0.206 20 0 HBADRP CS(=O)(=O)N[C@@H]1CC[NH+](CCCCCC[N@H+]2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000735077676 1069922984 /nfs/dbraw/zinc/92/29/84/1069922984.db2.gz DXYOKESVGVIXEZ-IYBDPMFKSA-N 2 0 410.606 -0.206 20 0 HBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000745789094 1070091464 /nfs/dbraw/zinc/09/14/64/1070091464.db2.gz BUBRFBREHWYZJZ-KRWDZBQOSA-N 2 0 419.592 -0.294 20 0 HBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000745789095 1070091236 /nfs/dbraw/zinc/09/12/36/1070091236.db2.gz BUBRFBREHWYZJZ-QGZVFWFLSA-N 2 0 419.592 -0.294 20 0 HBADRP C[C@@H](CNC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)[NH+]1CCCCC1 ZINC000768718263 1070215453 /nfs/dbraw/zinc/21/54/53/1070215453.db2.gz YJAPWFUXHJGJRX-HNNXBMFYSA-N 2 0 407.519 -0.510 20 0 HBADRP C[C@H](CNC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)[NH+]1CCCCC1 ZINC000768718264 1070215485 /nfs/dbraw/zinc/21/54/85/1070215485.db2.gz YJAPWFUXHJGJRX-OAHLLOKOSA-N 2 0 407.519 -0.510 20 0 HBADRP CN(C)C(=O)[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000771559409 1070274852 /nfs/dbraw/zinc/27/48/52/1070274852.db2.gz JVIYAJBPFIFANW-GOSISDBHSA-N 2 0 407.559 -0.202 20 0 HBADRP CN(C)C(=O)[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000771559412 1070274804 /nfs/dbraw/zinc/27/48/04/1070274804.db2.gz JVIYAJBPFIFANW-SFHVURJKSA-N 2 0 407.559 -0.202 20 0 HBADRP Cc1nc(N2CC[NH+](C(C)(C)CO)CC2)nc(N2CC[NH+](C(C)(C)CO)CC2)n1 ZINC000775477080 1071659900 /nfs/dbraw/zinc/65/99/00/1071659900.db2.gz PAVRVHPURLHQCE-UHFFFAOYSA-N 2 0 407.563 -0.034 20 0 HBADRP Cc1nc(N2CC[NH+](CCCCO)CC2)nc(N2CC[NH+](CCCCO)CC2)n1 ZINC000775483369 1071660491 /nfs/dbraw/zinc/66/04/91/1071660491.db2.gz SGXFRBXFVLXXSM-UHFFFAOYSA-N 2 0 407.563 -0.031 20 0 HBADRP CCOC(=O)N1CCN(S(=O)(=O)N(CC[NH+](C)C)C2CC[NH+](C)CC2)CC1 ZINC000780849853 1068459856 /nfs/dbraw/zinc/45/98/56/1068459856.db2.gz SRRVWBMWQASJJT-UHFFFAOYSA-N 2 0 405.565 -0.037 20 0 HBADRP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)cn2)CC1 ZINC000786138367 1070321762 /nfs/dbraw/zinc/32/17/62/1070321762.db2.gz SOGPFBBHFNGMDM-MSOLQXFVSA-N 2 0 416.526 -0.571 20 0 HBADRP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)cn2)CC1 ZINC000786138368 1070321702 /nfs/dbraw/zinc/32/17/02/1070321702.db2.gz SOGPFBBHFNGMDM-QZTJIDSGSA-N 2 0 416.526 -0.571 20 0 HBADRP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)cn2)CC1 ZINC000786138369 1070322075 /nfs/dbraw/zinc/32/20/75/1070322075.db2.gz SOGPFBBHFNGMDM-ROUUACIJSA-N 2 0 416.526 -0.571 20 0 HBADRP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)cn2)CC1 ZINC000786138370 1070321996 /nfs/dbraw/zinc/32/19/96/1070321996.db2.gz SOGPFBBHFNGMDM-ZWKOTPCHSA-N 2 0 416.526 -0.571 20 0 HBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NC3CC[NH+](C[C@@H]4CCCO4)CC3)CC2)C1 ZINC000787104860 1070356008 /nfs/dbraw/zinc/35/60/08/1070356008.db2.gz GIFUGLLYWJNVPE-PMACEKPBSA-N 2 0 421.586 -0.016 20 0 HBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NC3CC[NH+](C[C@@H]4CCCO4)CC3)CC2)C1 ZINC000787104863 1070355850 /nfs/dbraw/zinc/35/58/50/1070355850.db2.gz GIFUGLLYWJNVPE-UXHICEINSA-N 2 0 421.586 -0.016 20 0 HBADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NC3CC[NH+](C[C@H]4CCCO4)CC3)CC2)C1 ZINC000787104865 1070356152 /nfs/dbraw/zinc/35/61/52/1070356152.db2.gz GIFUGLLYWJNVPE-VQTJNVASSA-N 2 0 421.586 -0.016 20 0 HBADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NC3CC[NH+](C[C@H]4CCCO4)CC3)CC2)C1 ZINC000787104867 1070356074 /nfs/dbraw/zinc/35/60/74/1070356074.db2.gz GIFUGLLYWJNVPE-WOJBJXKFSA-N 2 0 421.586 -0.016 20 0 HBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC1(C)C ZINC000787121200 1070355627 /nfs/dbraw/zinc/35/56/27/1070355627.db2.gz DWUGRUWYTQCZAN-GOSISDBHSA-N 2 0 409.575 -0.112 20 0 HBADRP C[N@@H+]1CCN(CCNC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1(C)C ZINC000787121202 1070355295 /nfs/dbraw/zinc/35/52/95/1070355295.db2.gz DWUGRUWYTQCZAN-SFHVURJKSA-N 2 0 409.575 -0.112 20 0 HBADRP C[NH+]1CCN(c2cc(CNC(=O)C(=O)NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)ccn2)CC1 ZINC000787196226 1070360996 /nfs/dbraw/zinc/36/09/96/1070360996.db2.gz HSDIZEJANGVQFN-MSOLQXFVSA-N 2 0 416.526 -0.571 20 0 HBADRP C[NH+]1CCN(c2cc(CNC(=O)C(=O)NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)ccn2)CC1 ZINC000787196229 1070361265 /nfs/dbraw/zinc/36/12/65/1070361265.db2.gz HSDIZEJANGVQFN-QZTJIDSGSA-N 2 0 416.526 -0.571 20 0 HBADRP C[NH+]1CCN(c2cc(CNC(=O)C(=O)NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)ccn2)CC1 ZINC000787196230 1070361317 /nfs/dbraw/zinc/36/13/17/1070361317.db2.gz HSDIZEJANGVQFN-ROUUACIJSA-N 2 0 416.526 -0.571 20 0 HBADRP C[NH+]1CCN(c2cc(CNC(=O)C(=O)NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)ccn2)CC1 ZINC000787196231 1070360886 /nfs/dbraw/zinc/36/08/86/1070360886.db2.gz HSDIZEJANGVQFN-ZWKOTPCHSA-N 2 0 416.526 -0.571 20 0 HBADRP Cc1nc(N2CC[NH+](CCO)C(C)(C)C2)nc(N2CC[N@H+](CCO)C(C)(C)C2)n1 ZINC000788549136 1070417105 /nfs/dbraw/zinc/41/71/05/1070417105.db2.gz RPPROHFWXUZJQS-UHFFFAOYSA-N 2 0 407.563 -0.034 20 0 HBADRP O=C1NC(=O)[C@]2(CCC[NH+](CCCCCC[N@H+]3CCC[C@@]4(C3)NC(=O)NC4=O)C2)N1 ZINC000789378687 1070436434 /nfs/dbraw/zinc/43/64/34/1070436434.db2.gz VHQKODFBUOVCSK-BGYRXZFFSA-N 2 0 420.514 -0.105 20 0 HBADRP O=C1NC(=O)[C@@]2(CCC[NH+](CCCCCC[N@H+]3CCC[C@@]4(C3)NC(=O)NC4=O)C2)N1 ZINC000789378691 1070436559 /nfs/dbraw/zinc/43/65/59/1070436559.db2.gz VHQKODFBUOVCSK-PMACEKPBSA-N 2 0 420.514 -0.105 20 0 HBADRP O=C1NC(=O)[C@]2(CCC[NH+](CCCCCC[N@H+]3CCC[C@]4(C3)NC(=O)NC4=O)C2)N1 ZINC000789378695 1070436592 /nfs/dbraw/zinc/43/65/92/1070436592.db2.gz VHQKODFBUOVCSK-WOJBJXKFSA-N 2 0 420.514 -0.105 20 0 HBADRP C[C@H]1CN(C)C(=O)CN1C(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000804083455 1069510288 /nfs/dbraw/zinc/51/02/88/1069510288.db2.gz QMNMYBRGPHNYFV-INIZCTEOSA-N 2 0 402.499 -0.601 20 0 HBADRP C[C@@H]1CN(C)C(=O)CN1C(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000804083456 1069510143 /nfs/dbraw/zinc/51/01/43/1069510143.db2.gz QMNMYBRGPHNYFV-MRXNPFEDSA-N 2 0 402.499 -0.601 20 0 HBADRP CC1(C)OCC(NC(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CO1 ZINC000804083656 1069510162 /nfs/dbraw/zinc/51/01/62/1069510162.db2.gz UMJRTJQVWKLNNA-UHFFFAOYSA-N 2 0 405.499 -0.022 20 0 HBADRP CCS(=O)(=O)CCNC(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000804083703 1069509641 /nfs/dbraw/zinc/50/96/41/1069509641.db2.gz DJCYLAIAWLRCQV-UHFFFAOYSA-N 2 0 411.528 -0.739 20 0 HBADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)N1CCC2(C1)OCCO2 ZINC000804083881 1069508500 /nfs/dbraw/zinc/50/85/00/1069508500.db2.gz HQWFSSSPCHJAAZ-UHFFFAOYSA-N 2 0 403.483 -0.315 20 0 HBADRP O=C(N[C@H](CO)C[NH+]1CCCC1)[C@@H]1CCC[C@H](C(=O)N[C@@H](CO)C[NH+]2CCCC2)C1 ZINC000808222729 1070726520 /nfs/dbraw/zinc/72/65/20/1070726520.db2.gz HRJZLTDVTPXZAQ-JVSBHGNQSA-N 2 0 424.586 -0.061 20 0 HBADRP O=C(N[C@@H](CO)C[NH+]1CCCC1)[C@@H]1CCC[C@@H](C(=O)N[C@H](CO)C[NH+]2CCCC2)C1 ZINC000808222731 1070726315 /nfs/dbraw/zinc/72/63/15/1070726315.db2.gz HRJZLTDVTPXZAQ-WTGUMLROSA-N 2 0 424.586 -0.061 20 0 HBADRP O=C(N[C@H](CO)C[NH+]1CCCC1)[C@@H]1CCC[C@H](C(=O)N[C@H](CO)C[NH+]2CCCC2)C1 ZINC000808222732 1070726466 /nfs/dbraw/zinc/72/64/66/1070726466.db2.gz HRJZLTDVTPXZAQ-YRPNKDGESA-N 2 0 424.586 -0.061 20 0 HBADRP O=C(N[C@H](CO)C[NH+]1CCCC1)[C@@H]1CCC[C@@H](C(=O)N[C@H](CO)C[NH+]2CCCC2)C1 ZINC000808222735 1070726415 /nfs/dbraw/zinc/72/64/15/1070726415.db2.gz HRJZLTDVTPXZAQ-ZRNYENFQSA-N 2 0 424.586 -0.061 20 0 HBADRP O=C(N[C@@H](CO)C[NH+]1CCCC1)[C@@H]1CCCC[C@H]1C(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000819837135 1070988306 /nfs/dbraw/zinc/98/83/06/1070988306.db2.gz HPJPOTOQBAEWHP-IYWMVGAKSA-N 2 0 424.586 -0.061 20 0 HBADRP O=C(N[C@@H](CO)C[NH+]1CCCC1)[C@@H]1CCCC[C@H]1C(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000819837136 1070988487 /nfs/dbraw/zinc/98/84/87/1070988487.db2.gz HPJPOTOQBAEWHP-UAFMIMERSA-N 2 0 424.586 -0.061 20 0 HBADRP O=C(N[C@H](CO)C[NH+]1CCCC1)[C@@H]1CCCC[C@H]1C(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000819837137 1070988254 /nfs/dbraw/zinc/98/82/54/1070988254.db2.gz HPJPOTOQBAEWHP-VNTMZGSJSA-N 2 0 424.586 -0.061 20 0 HBADRP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC001128387475 1069283023 /nfs/dbraw/zinc/28/30/23/1069283023.db2.gz VTNZZTCVEKNKDR-UHFFFAOYSA-N 2 0 407.515 -0.115 20 0 HBADRP NS(=O)(=O)N1CCC[C@H](C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001142612934 1070145024 /nfs/dbraw/zinc/14/50/24/1070145024.db2.gz HKTBQVRCROFGBD-INIZCTEOSA-N 2 0 410.544 -0.375 20 0 HBADRP NS(=O)(=O)N1CCC[C@@H](C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001142612935 1070145138 /nfs/dbraw/zinc/14/51/38/1070145138.db2.gz HKTBQVRCROFGBD-MRXNPFEDSA-N 2 0 410.544 -0.375 20 0 HBADRP CNC(=O)/C=C/C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001144089511 1071038533 /nfs/dbraw/zinc/03/85/33/1071038533.db2.gz JJJSNHIKAJLABU-GSYUBITKSA-N 2 0 400.520 -0.416 20 0 HBADRP CNC(=O)/C=C/C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001144089512 1071038569 /nfs/dbraw/zinc/03/85/69/1071038569.db2.gz JJJSNHIKAJLABU-IWNQWLRQSA-N 2 0 400.520 -0.416 20 0 HBADRP CNC(=O)/C=C/C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001144089513 1071038665 /nfs/dbraw/zinc/03/86/65/1071038665.db2.gz JJJSNHIKAJLABU-SVJHCKGXSA-N 2 0 400.520 -0.416 20 0 HBADRP CNC(=O)/C=C/C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001144089514 1071038713 /nfs/dbraw/zinc/03/87/13/1071038713.db2.gz JJJSNHIKAJLABU-ZVAVGQFWSA-N 2 0 400.520 -0.416 20 0 HBADRP CC(C)N(C(=O)CN(C)C(N)=[NH2+])c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001144129978 1071040508 /nfs/dbraw/zinc/04/05/08/1071040508.db2.gz GHRBBHWWVXGJMS-UHFFFAOYSA-N 2 0 404.519 -0.432 20 0 HBADRP CN(CC(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+])C(N)=[NH2+] ZINC001144141558 1071040386 /nfs/dbraw/zinc/04/03/86/1071040386.db2.gz FLJJDHRPWLEMCG-ACMLMGIUSA-N 3 0 402.540 -0.893 20 0 HBADRP CN(CC(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+])C(N)=[NH2+] ZINC001144141568 1071040573 /nfs/dbraw/zinc/04/05/73/1071040573.db2.gz FLJJDHRPWLEMCG-QMHOLRBPSA-N 3 0 402.540 -0.893 20 0 HBADRP CN(CC(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+])C(N)=[NH2+] ZINC001144141570 1071040442 /nfs/dbraw/zinc/04/04/42/1071040442.db2.gz FLJJDHRPWLEMCG-VERFIZQUSA-N 3 0 402.540 -0.893 20 0 HBADRP CN(CC(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+])C(N)=[NH2+] ZINC001144141574 1071040366 /nfs/dbraw/zinc/04/03/66/1071040366.db2.gz FLJJDHRPWLEMCG-WVXQGFRLSA-N 3 0 402.540 -0.893 20 0 HBADRP CN1CCn2nc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cc2S1(=O)=O ZINC001144186120 1071041612 /nfs/dbraw/zinc/04/16/12/1071041612.db2.gz TYIGZYNZOKNEFG-UHFFFAOYSA-N 2 0 400.549 -0.137 20 0 HBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2c[nH]c(=O)cn2)[C@H](O)OC(C)(C)C)C1 ZINC001147629484 1071117338 /nfs/dbraw/zinc/11/73/38/1071117338.db2.gz AOJZVGUJRGDMQE-HEWKYXSKSA-N 2 0 411.503 -0.321 20 0 HBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2c[nH]c(=O)cn2)[C@@H](O)OC(C)(C)C)C1 ZINC001147629488 1071117175 /nfs/dbraw/zinc/11/71/75/1071117175.db2.gz AOJZVGUJRGDMQE-PHRGQOSZSA-N 2 0 411.503 -0.321 20 0 HBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2c[nH]c(=O)cn2)[C@H](O)OC(C)(C)C)C1 ZINC001147629489 1071117382 /nfs/dbraw/zinc/11/73/82/1071117382.db2.gz AOJZVGUJRGDMQE-UADLYPOBSA-N 2 0 411.503 -0.321 20 0 HBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2c[nH]c(=O)cn2)[C@@H](O)OC(C)(C)C)C1 ZINC001147629490 1071117369 /nfs/dbraw/zinc/11/73/69/1071117369.db2.gz AOJZVGUJRGDMQE-ULFFPRONSA-N 2 0 411.503 -0.321 20 0 HBADRP C[NH+](C)C[C@H]1Cn2ccnc2CN(c2nc(S(C)(=O)=O)nc3c2CC[NH2+]CC3)C1 ZINC001164732737 720505639 /nfs/dbraw/zinc/50/56/39/720505639.db2.gz WDWIJIFQYFZZRE-AWEZNQCLSA-N 2 0 419.555 -0.037 20 0 HBADRP C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nc(S(C)(=O)=O)nc3c2CC[NH2+]CC3)C1 ZINC001164732738 720505501 /nfs/dbraw/zinc/50/55/01/720505501.db2.gz WDWIJIFQYFZZRE-CQSZACIVSA-N 2 0 419.555 -0.037 20 0 HBADRP C[NH+](C)CCNC(=O)c1noc2c1CN(c1cncc(N3CC[NH2+]CC3)n1)CC2 ZINC001164750192 720955579 /nfs/dbraw/zinc/95/55/79/720955579.db2.gz KOTVBLLONWMMHC-UHFFFAOYSA-N 2 0 400.487 -0.272 20 0 HBADRP C[NH+](C)CCNC(=O)c1noc2c1CN(c1ccc(N3CC[NH2+]CC3)nn1)CC2 ZINC001164751360 720949116 /nfs/dbraw/zinc/94/91/16/720949116.db2.gz PXCRNPYVFBMWRF-UHFFFAOYSA-N 2 0 400.487 -0.272 20 0 HBADRP CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3cncc(N4CC[NH2+]CC4)n3)CC2)C1 ZINC001164872124 721275453 /nfs/dbraw/zinc/27/54/53/721275453.db2.gz ALJKJWYWZJRRJF-UHFFFAOYSA-N 2 0 417.558 -0.107 20 0 HBADRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1nc(S(C)(=O)=O)nc2c1CC[NH2+]CC2 ZINC001164920537 721848330 /nfs/dbraw/zinc/84/83/30/721848330.db2.gz KFVWLMFEMQJJLJ-DLBZAZTESA-N 2 0 408.572 -0.217 20 0 HBADRP C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1nc(S(C)(=O)=O)nc2c1CC[NH2+]CC2 ZINC001164920538 721848278 /nfs/dbraw/zinc/84/82/78/721848278.db2.gz KFVWLMFEMQJJLJ-IAGOWNOFSA-N 2 0 408.572 -0.217 20 0 HBADRP C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1nc(S(C)(=O)=O)nc2c1CC[NH2+]CC2 ZINC001164920539 721848365 /nfs/dbraw/zinc/84/83/65/721848365.db2.gz KFVWLMFEMQJJLJ-IRXDYDNUSA-N 2 0 408.572 -0.217 20 0 HBADRP C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1nc(S(C)(=O)=O)nc2c1CC[NH2+]CC2 ZINC001164920540 721848332 /nfs/dbraw/zinc/84/83/32/721848332.db2.gz KFVWLMFEMQJJLJ-SJORKVTESA-N 2 0 408.572 -0.217 20 0 HBADRP C[C@@H]1C[C@H](NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@@H](Cc2ccccc2)C(N)=O)CCO1 ZINC001168102944 1069067721 /nfs/dbraw/zinc/06/77/21/1069067721.db2.gz HRARGQNXCPMFRX-BGTYHANMSA-N 2 0 418.542 -0.012 20 0 HBADRP C[C@H]1C[C@@H](NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@@H](Cc2ccccc2)C(N)=O)CCO1 ZINC001168102945 1069067896 /nfs/dbraw/zinc/06/78/96/1069067896.db2.gz HRARGQNXCPMFRX-DKIMLUQUSA-N 2 0 418.542 -0.012 20 0 HBADRP C[C@H]1C[C@H](NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@@H](Cc2ccccc2)C(N)=O)CCO1 ZINC001168102946 1069067950 /nfs/dbraw/zinc/06/79/50/1069067950.db2.gz HRARGQNXCPMFRX-RANZSIQMSA-N 2 0 418.542 -0.012 20 0 HBADRP C[C@@H]1C[C@@H](NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@@H](Cc2ccccc2)C(N)=O)CCO1 ZINC001168102947 1069067841 /nfs/dbraw/zinc/06/78/41/1069067841.db2.gz HRARGQNXCPMFRX-UBDQQSCGSA-N 2 0 418.542 -0.012 20 0 HBADRP CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H]([NH2+]C2CCC([NH+](C)C)CC2)[C@H]1O ZINC001168300486 1069394139 /nfs/dbraw/zinc/39/41/39/1069394139.db2.gz XKCOGOZTXWJEPD-APCXIXIPSA-N 2 0 419.530 -0.026 20 0 HBADRP Nc1nc(=O)c2ncn([C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c2n1C1CC[NH+](CC2CC2)CC1 ZINC001168365513 1070185478 /nfs/dbraw/zinc/18/54/78/1070185478.db2.gz SWFOMPLVBIBQOC-RRFJBIMHSA-N 2 0 403.487 -0.171 20 0 HBADRP COC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccc(NC(=O)C(C)(C)C)c(-n2nnnc2C[NH3+])n1 ZINC001168918615 1070122151 /nfs/dbraw/zinc/12/21/51/1070122151.db2.gz HCGUAIWDFGEXJO-QWRGUYRKSA-N 2 0 402.459 -0.023 20 0 HBADRP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CCN1CC[NH+](C)CC1 ZINC001169164469 1070128203 /nfs/dbraw/zinc/12/82/03/1070128203.db2.gz VJLNJCMHSNNRHG-INIZCTEOSA-N 2 0 405.547 -0.171 20 0 HBADRP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CCN1CC[NH+](C)CC1 ZINC001169164487 1070129010 /nfs/dbraw/zinc/12/90/10/1070129010.db2.gz VJLNJCMHSNNRHG-MRXNPFEDSA-N 2 0 405.547 -0.171 20 0 HBADRP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH+]1CCN(CCC[NH3+])CC1 ZINC001169176012 1070131317 /nfs/dbraw/zinc/13/13/17/1070131317.db2.gz NEOVQAQGWFPWPI-INIZCTEOSA-N 2 0 405.547 -0.041 20 0 HBADRP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH+]1CCN(CCC[NH3+])CC1 ZINC001169176013 1070131396 /nfs/dbraw/zinc/13/13/96/1070131396.db2.gz NEOVQAQGWFPWPI-MRXNPFEDSA-N 2 0 405.547 -0.041 20 0 HBADRP CNC(=O)[C@H](CCCC[NH3+])[NH2+][C@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC001169195584 1070129815 /nfs/dbraw/zinc/12/98/15/1070129815.db2.gz MATITSDCJKMNJA-CABCVRRESA-N 2 0 421.546 -0.174 20 0 HBADRP CNC(=O)[C@H](CCCC[NH3+])[NH2+][C@@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC001169195585 1070129958 /nfs/dbraw/zinc/12/99/58/1070129958.db2.gz MATITSDCJKMNJA-GJZGRUSLSA-N 2 0 421.546 -0.174 20 0 HBADRP CC(=O)N1CCC[C@H]([NH2+]CCOCCOCCOCCOCCOCC[NH3+])C1 ZINC001169585236 1070145081 /nfs/dbraw/zinc/14/50/81/1070145081.db2.gz NINIJKDRHULFQE-IBGZPJMESA-N 2 0 405.536 -0.371 20 0 HBADRP CC(=O)N1CCC[C@@H]([NH2+]CCOCCOCCOCCOCCOCC[NH3+])C1 ZINC001169585237 1070145020 /nfs/dbraw/zinc/14/50/20/1070145020.db2.gz NINIJKDRHULFQE-LJQANCHMSA-N 2 0 405.536 -0.371 20 0 HBADRP CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1cccc[n+]1C)c(N)nc2=O ZINC001169975783 1070195372 /nfs/dbraw/zinc/19/53/72/1070195372.db2.gz CBWKEUZSDZHLCM-AWEZNQCLSA-O 2 0 416.462 -0.511 20 0 HBADRP CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n(-c1ccc[n+](C)c1)c(N)nc2=O ZINC001169979954 1070203594 /nfs/dbraw/zinc/20/35/94/1070203594.db2.gz IHXWSZGNRPTLKQ-AWEZNQCLSA-O 2 0 416.462 -0.511 20 0 HBADRP CC=C(NC=[NH2+])n1c2c(ncn2COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc1N ZINC001169983361 1070204460 /nfs/dbraw/zinc/20/44/60/1070204460.db2.gz YZHQXASRGICVAX-QNCMIEPLSA-N 2 0 406.447 -0.309 20 0 HBADRP C[C@H]1CC[C@H](n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)C1 ZINC001170126489 1070459069 /nfs/dbraw/zinc/45/90/69/1070459069.db2.gz ZIVFDZVNHJVWCG-HJWJTTGWSA-N 2 0 421.546 -0.671 20 0 HBADRP C[C@@H]1CC[C@H](n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)C1 ZINC001170126490 1070459086 /nfs/dbraw/zinc/45/90/86/1070459086.db2.gz ZIVFDZVNHJVWCG-IWCQGFGOSA-N 2 0 421.546 -0.671 20 0 HBADRP C[C@H]1CC[C@@H](n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)C1 ZINC001170126491 1070459440 /nfs/dbraw/zinc/45/94/40/1070459440.db2.gz ZIVFDZVNHJVWCG-ORQFMDKSSA-N 2 0 421.546 -0.671 20 0 HBADRP C[C@@H]1CC[C@@H](n2cnc(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c2)C1 ZINC001170126492 1070459300 /nfs/dbraw/zinc/45/93/00/1070459300.db2.gz ZIVFDZVNHJVWCG-SIXLDLHFSA-N 2 0 421.546 -0.671 20 0 HBADRP CS(=O)(=O)N1CCC(NC(=O)C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)CC1 ZINC001170333968 1070513969 /nfs/dbraw/zinc/51/39/69/1070513969.db2.gz UBHFDVPLMGXBLV-UHFFFAOYSA-N 2 0 416.588 -0.039 20 0 HBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2ccc(CC(N)=O)nn2)[C@@H](O)OC(C)(C)C)C1 ZINC001170388351 1070515266 /nfs/dbraw/zinc/51/52/66/1070515266.db2.gz LLHYZEQTDMGVLB-GOYXDOSHSA-N 2 0 424.546 -0.222 20 0 HBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2ccc(CC(N)=O)nn2)[C@H](O)OC(C)(C)C)C1 ZINC001170388352 1070515168 /nfs/dbraw/zinc/51/51/68/1070515168.db2.gz LLHYZEQTDMGVLB-GTZSGAPKSA-N 2 0 424.546 -0.222 20 0 HBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2ccc(CC(N)=O)nn2)[C@H](O)OC(C)(C)C)C1 ZINC001170388353 1070515068 /nfs/dbraw/zinc/51/50/68/1070515068.db2.gz LLHYZEQTDMGVLB-HODQNMRISA-N 2 0 424.546 -0.222 20 0 HBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2ccc(CC(N)=O)nn2)[C@@H](O)OC(C)(C)C)C1 ZINC001170388354 1070515078 /nfs/dbraw/zinc/51/50/78/1070515078.db2.gz LLHYZEQTDMGVLB-REBZHTEESA-N 2 0 424.546 -0.222 20 0 HBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cnc(C(N)=O)cn2)[C@@H](O)OC(C)(C)C)C1 ZINC001170388399 1070515208 /nfs/dbraw/zinc/51/52/08/1070515208.db2.gz MALZTNZHXHSCSO-BAAZUTBUSA-N 2 0 410.519 -0.151 20 0 HBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cnc(C(N)=O)cn2)[C@H](O)OC(C)(C)C)C1 ZINC001170388400 1070515130 /nfs/dbraw/zinc/51/51/30/1070515130.db2.gz MALZTNZHXHSCSO-QHEVRDBASA-N 2 0 410.519 -0.151 20 0 HBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cnc(C(N)=O)cn2)[C@H](O)OC(C)(C)C)C1 ZINC001170388401 1070515192 /nfs/dbraw/zinc/51/51/92/1070515192.db2.gz MALZTNZHXHSCSO-VCMWWZGJSA-N 2 0 410.519 -0.151 20 0 HBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cnc(C(N)=O)cn2)[C@@H](O)OC(C)(C)C)C1 ZINC001170388402 1070515143 /nfs/dbraw/zinc/51/51/43/1070515143.db2.gz MALZTNZHXHSCSO-YKRRISCLSA-N 2 0 410.519 -0.151 20 0 HBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2nccnc2C(N)=O)[C@@H](O)OC(C)(C)C)C1 ZINC001170389597 1070515104 /nfs/dbraw/zinc/51/51/04/1070515104.db2.gz RVWLLXPHIVYXPV-DHMYTKHGSA-N 2 0 410.519 -0.151 20 0 HBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2nccnc2C(N)=O)[C@H](O)OC(C)(C)C)C1 ZINC001170389598 1070515256 /nfs/dbraw/zinc/51/52/56/1070515256.db2.gz RVWLLXPHIVYXPV-HHDFAXHISA-N 2 0 410.519 -0.151 20 0 HBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2nccnc2C(N)=O)[C@@H](O)OC(C)(C)C)C1 ZINC001170389600 1070515056 /nfs/dbraw/zinc/51/50/56/1070515056.db2.gz RVWLLXPHIVYXPV-LNINBKOHSA-N 2 0 410.519 -0.151 20 0 HBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2nccnc2C(N)=O)[C@H](O)OC(C)(C)C)C1 ZINC001170389602 1070515246 /nfs/dbraw/zinc/51/52/46/1070515246.db2.gz RVWLLXPHIVYXPV-NUTGUDPMSA-N 2 0 410.519 -0.151 20 0 HBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cc(C(N)=O)ncn2)[C@@H](O)OC(C)(C)C)C1 ZINC001170392670 1070515179 /nfs/dbraw/zinc/51/51/79/1070515179.db2.gz HXBJOSGGZSPDRR-BAAZUTBUSA-N 2 0 410.519 -0.151 20 0 HBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cc(C(N)=O)ncn2)[C@H](O)OC(C)(C)C)C1 ZINC001170392671 1070515044 /nfs/dbraw/zinc/51/50/44/1070515044.db2.gz HXBJOSGGZSPDRR-QHEVRDBASA-N 2 0 410.519 -0.151 20 0 HBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cc(C(N)=O)ncn2)[C@H](O)OC(C)(C)C)C1 ZINC001170392672 1070515109 /nfs/dbraw/zinc/51/51/09/1070515109.db2.gz HXBJOSGGZSPDRR-VCMWWZGJSA-N 2 0 410.519 -0.151 20 0 HBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cc(C(N)=O)ncn2)[C@@H](O)OC(C)(C)C)C1 ZINC001170392673 1070515749 /nfs/dbraw/zinc/51/57/49/1070515749.db2.gz HXBJOSGGZSPDRR-YKRRISCLSA-N 2 0 410.519 -0.151 20 0 HBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cnc(C(N)=O)nc2)[C@@H](O)OC(C)(C)C)C1 ZINC001170394620 1070515934 /nfs/dbraw/zinc/51/59/34/1070515934.db2.gz VYLDLUKSJLOGQQ-BSEKEJRQSA-N 2 0 410.519 -0.151 20 0 HBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cnc(C(N)=O)nc2)[C@@H](O)OC(C)(C)C)C1 ZINC001170394621 1070515693 /nfs/dbraw/zinc/51/56/93/1070515693.db2.gz VYLDLUKSJLOGQQ-MWRXHXJCSA-N 2 0 410.519 -0.151 20 0 HBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cnc(C(N)=O)nc2)[C@H](O)OC(C)(C)C)C1 ZINC001170394622 1070515615 /nfs/dbraw/zinc/51/56/15/1070515615.db2.gz VYLDLUKSJLOGQQ-TUEPYVCHSA-N 2 0 410.519 -0.151 20 0 HBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(c2cnc(C(N)=O)nc2)[C@H](O)OC(C)(C)C)C1 ZINC001170394623 1070515827 /nfs/dbraw/zinc/51/58/27/1070515827.db2.gz VYLDLUKSJLOGQQ-UWTPGLLQSA-N 2 0 410.519 -0.151 20 0 HBADRP COC(=O)[C@@H]1CC[C@H]([NH2+]CCOCCOCCOCCOCCOCC[NH3+])C1 ZINC001170517899 1070679791 /nfs/dbraw/zinc/67/97/91/1070679791.db2.gz ODLRTYNHWRLRFB-MSOLQXFVSA-N 2 0 406.520 -0.041 20 0 HBADRP COC(=O)[C@@H]1CC[C@@H]([NH2+]CCOCCOCCOCCOCCOCC[NH3+])C1 ZINC001170517900 1070681512 /nfs/dbraw/zinc/68/15/12/1070681512.db2.gz ODLRTYNHWRLRFB-QZTJIDSGSA-N 2 0 406.520 -0.041 20 0 HBADRP NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N[C@H]1CCCOCC1 ZINC001170806176 1070927653 /nfs/dbraw/zinc/92/76/53/1070927653.db2.gz YGGKWAZIDNPOKL-BZSNNMDCSA-N 2 0 418.542 -0.010 20 0 HBADRP NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N[C@@H]1CCCOCC1 ZINC001170806179 1070927138 /nfs/dbraw/zinc/92/71/38/1070927138.db2.gz YGGKWAZIDNPOKL-SQNIBIBYSA-N 2 0 418.542 -0.010 20 0 HBADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2C[C@H](C(N)=O)[C@H](C(N)=O)C2)CC1 ZINC001171943477 1071171835 /nfs/dbraw/zinc/17/18/35/1071171835.db2.gz SQBAMWWJLIQYDE-HDICACEKSA-N 2 0 401.511 -0.452 20 0 HBADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)CC1 ZINC001171943478 1071171936 /nfs/dbraw/zinc/17/19/36/1071171936.db2.gz SQBAMWWJLIQYDE-QZTJIDSGSA-N 2 0 401.511 -0.452 20 0 HBADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)CC1 ZINC001171943479 1071171716 /nfs/dbraw/zinc/17/17/16/1071171716.db2.gz SQBAMWWJLIQYDE-ROUUACIJSA-N 2 0 401.511 -0.452 20 0 HBADRP [NH3+]CCOCCOCCOCCOCCOCC[NH2+][C@@H]1CCN(C2CC2)C(=O)C1 ZINC001172010486 1071172701 /nfs/dbraw/zinc/17/27/01/1071172701.db2.gz ZFFBEMUBBSSPPL-GOSISDBHSA-N 2 0 417.547 -0.229 20 0 HBADRP [NH3+]CCOCCOCCOCCOCCOCC[NH2+][C@H]1CCN(C2CC2)C(=O)C1 ZINC001172010487 1071172886 /nfs/dbraw/zinc/17/28/86/1071172886.db2.gz ZFFBEMUBBSSPPL-SFHVURJKSA-N 2 0 417.547 -0.229 20 0 HBADRP CCN1CC[C@@H]([NH2+]CCOCCOCCOCCOCCOCC[NH3+])CC1=O ZINC001172033699 1071172681 /nfs/dbraw/zinc/17/26/81/1071172681.db2.gz RPRUCBQIFPXPEH-GOSISDBHSA-N 2 0 405.536 -0.371 20 0 HBADRP CCN1CC[C@H]([NH2+]CCOCCOCCOCCOCCOCC[NH3+])CC1=O ZINC001172033700 1071173443 /nfs/dbraw/zinc/17/34/43/1071173443.db2.gz RPRUCBQIFPXPEH-SFHVURJKSA-N 2 0 405.536 -0.371 20 0 HBADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1c3c(ncn3[C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c(=O)nc1N)C2 ZINC001172107622 1071174404 /nfs/dbraw/zinc/17/44/04/1071174404.db2.gz AIHNSXLFQMUDQZ-MZHQWRCYSA-N 2 0 403.487 -0.030 20 0 HBADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](n1c3c(ncn3[C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c(=O)nc1N)C2 ZINC001172107628 1071174368 /nfs/dbraw/zinc/17/43/68/1071174368.db2.gz AIHNSXLFQMUDQZ-PMKSJIGOSA-N 2 0 403.487 -0.030 20 0 HBADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1[C@@H](O)[C@H](n3cnc4c3ncnc4N)O[C@@H]1CO)C2 ZINC001172110336 1071174660 /nfs/dbraw/zinc/17/46/60/1071174660.db2.gz LJTNCLLDRBNVSG-ASVXTDKMSA-N 2 0 403.487 -0.367 20 0 HBADRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1[C@@H](O)[C@H](n3cnc4c3ncnc4N)O[C@@H]1CO)C2 ZINC001172110338 1071175281 /nfs/dbraw/zinc/17/52/81/1071175281.db2.gz LJTNCLLDRBNVSG-BGEFAGLPSA-N 2 0 403.487 -0.367 20 0 HBADRP [NH3+]CCOCCOCCOCCOCCOCC[NH2+][C@@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172159389 1071175368 /nfs/dbraw/zinc/17/53/68/1071175368.db2.gz ZKCLWCNOZPZQEE-MOPGFXCFSA-N 2 0 417.547 -0.229 20 0 HBADRP [NH3+]CCOCCOCCOCCOCCOCC[NH2+][C@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172159390 1071175389 /nfs/dbraw/zinc/17/53/89/1071175389.db2.gz ZKCLWCNOZPZQEE-OALUTQOASA-N 2 0 417.547 -0.229 20 0 HBADRP [NH3+]CCOCCOCCOCCOCCOCC[NH2+][C@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172159391 1071175458 /nfs/dbraw/zinc/17/54/58/1071175458.db2.gz ZKCLWCNOZPZQEE-RBUKOAKNSA-N 2 0 417.547 -0.229 20 0 HBADRP [NH3+]CCOCCOCCOCCOCCOCC[NH2+][C@@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172159392 1071175409 /nfs/dbraw/zinc/17/54/09/1071175409.db2.gz ZKCLWCNOZPZQEE-RTBURBONSA-N 2 0 417.547 -0.229 20 0 HBADRP COCCC[NH+]1CCC(n2cncc2C[C@H]([NH3+])C(=O)N2CCC[C@H]2C(N)=O)CC1 ZINC001172249562 1071177250 /nfs/dbraw/zinc/17/72/50/1071177250.db2.gz OAIFHMCCZHGGKI-ROUUACIJSA-N 2 0 406.531 -0.097 20 0 HBADRP COCCC[NH+]1CCC(n2c3c(ncn3[C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c(=O)nc2N)CC1 ZINC001172250838 1071176957 /nfs/dbraw/zinc/17/69/57/1071176957.db2.gz XNSYHVUDMLONBU-RRFJBIMHSA-N 2 0 421.502 -0.544 20 0 HBADRP CC1(C)C[C@@H](NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@@H](Cc2ccccc2)C(N)=O)CO1 ZINC001172279458 1071177894 /nfs/dbraw/zinc/17/78/94/1071177894.db2.gz HLJUFEFLFJBBTR-IKGGRYGDSA-N 2 0 418.542 -0.012 20 0 HBADRP CC1(C)C[C@H](NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@@H](Cc2ccccc2)C(N)=O)CO1 ZINC001172279460 1071177937 /nfs/dbraw/zinc/17/79/37/1071177937.db2.gz HLJUFEFLFJBBTR-ULQDDVLXSA-N 2 0 418.542 -0.012 20 0 HBADRP COC(=O)N1CCC([NH2+]CCOCCOCCOCCOCCOCC[NH3+])CC1 ZINC001172733164 1071180463 /nfs/dbraw/zinc/18/04/63/1071180463.db2.gz CZTUHYPDMYWBJT-UHFFFAOYSA-N 2 0 421.535 -0.152 20 0 HBADRP CCN1CC[C@H]([NH2+]CCOCCOCCOCCOCCOCCOCC[NH3+])C1 ZINC001173353161 1071185174 /nfs/dbraw/zinc/18/51/74/1071185174.db2.gz JLABNCVRFWXCGW-FQEVSTJZSA-N 2 0 421.579 -0.272 20 0 HBADRP CCN1CC[C@@H]([NH2+]CCOCCOCCOCCOCCOCCOCC[NH3+])C1 ZINC001173353170 1071184798 /nfs/dbraw/zinc/18/47/98/1071184798.db2.gz JLABNCVRFWXCGW-HXUWFJFHSA-N 2 0 421.579 -0.272 20 0 HBADRP CC[N@@H+]1CC[C@H](n2c3c(ncn3COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc2N)C1 ZINC001173355907 1071184870 /nfs/dbraw/zinc/18/48/70/1071184870.db2.gz ZPYSTLVOYDUPQY-KBPBESRZSA-N 2 0 421.502 -0.058 20 0 HBADRP CC[N@@H+]1CC[C@@H](n2c3c(ncn3COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc2N)C1 ZINC001173355908 1071185150 /nfs/dbraw/zinc/18/51/50/1071185150.db2.gz ZPYSTLVOYDUPQY-KGLIPLIRSA-N 2 0 421.502 -0.058 20 0 HBADRP CC[N@@H+]1CC[C@H](NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1 ZINC001173357675 1071184731 /nfs/dbraw/zinc/18/47/31/1071184731.db2.gz QYVCGGSLWZORIK-BZSNNMDCSA-N 3 0 417.558 -0.485 20 0 HBADRP CC[N@@H+]1CC[C@@H](NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1 ZINC001173357676 1071184927 /nfs/dbraw/zinc/18/49/27/1071184927.db2.gz QYVCGGSLWZORIK-SQNIBIBYSA-N 3 0 417.558 -0.485 20 0 HBADRP CC[N@@H+]1CC[C@@H](n2cnc(C[C@H]([NH3+])C(=O)N[C@@H](Cc3ccc(O)cc3)C(N)=O)c2)C1 ZINC001173357991 1071185130 /nfs/dbraw/zinc/18/51/30/1071185130.db2.gz URNVBJXYGATWOK-NEWSRXKRSA-N 2 0 414.510 -0.062 20 0 HBADRP CC[N@@H+]1CC[C@H](n2cnc(C[C@H]([NH3+])C(=O)N[C@@H](Cc3ccc(O)cc3)C(N)=O)c2)C1 ZINC001173357995 1071185055 /nfs/dbraw/zinc/18/50/55/1071185055.db2.gz URNVBJXYGATWOK-WDSOQIARSA-N 2 0 414.510 -0.062 20 0 HBADRP COC(=O)[C@@H]1C[C@H]([NH2+]CCN(CC[NH3+])N(O)N=O)CCN1C(=O)c1ccccc1 ZINC001173491780 1071185685 /nfs/dbraw/zinc/18/56/85/1071185685.db2.gz JZUNQPRVYWWPSO-CVEARBPZSA-N 2 0 408.459 -0.029 20 0 HBADRP COC(=O)[C@@H]1C[C@@H]([NH2+]CCN(CC[NH3+])N(O)N=O)CCN1C(=O)c1ccccc1 ZINC001173491781 1071185791 /nfs/dbraw/zinc/18/57/91/1071185791.db2.gz JZUNQPRVYWWPSO-HOTGVXAUSA-N 2 0 408.459 -0.029 20 0 HBADRP COC(=O)[C@H]1C[C@H]([NH2+]CCN(CC[NH3+])N(O)N=O)CCN1C(=O)c1ccccc1 ZINC001173491782 1071185722 /nfs/dbraw/zinc/18/57/22/1071185722.db2.gz JZUNQPRVYWWPSO-HZPDHXFCSA-N 2 0 408.459 -0.029 20 0 HBADRP COC(=O)[C@H]1C[C@@H]([NH2+]CCN(CC[NH3+])N(O)N=O)CCN1C(=O)c1ccccc1 ZINC001173491783 1071185627 /nfs/dbraw/zinc/18/56/27/1071185627.db2.gz JZUNQPRVYWWPSO-JKSUJKDBSA-N 2 0 408.459 -0.029 20 0 HBADRP COC(=O)[C@@H]1C[C@H]([NH2+]CCOCCOCCOCCOCC[NH3+])C[C@@H]1C(=O)OC ZINC001173582131 1071189981 /nfs/dbraw/zinc/18/99/81/1071189981.db2.gz MFSUWWBHKSBCLR-BJWYYQGGSA-N 2 0 420.503 -0.658 20 0 HBADRP COC(=O)[C@@H]1C[C@@H]([NH2+]CCOCCOCCOCCOCC[NH3+])C[C@@H]1C(=O)OC ZINC001173582133 1071189844 /nfs/dbraw/zinc/18/98/44/1071189844.db2.gz MFSUWWBHKSBCLR-OSYLJGHBSA-N 2 0 420.503 -0.658 20 0 HBADRP CN(C)C(=O)N1CCC2(CC1)O[C@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])Cn1ccnc12 ZINC001176771986 1071236831 /nfs/dbraw/zinc/23/68/31/1071236831.db2.gz LGPXDOHVBHSNLP-AWEZNQCLSA-N 2 0 420.518 -0.284 20 0 HBADRP CN(C)C(=O)N1CCC2(CC1)O[C@@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])Cn1ccnc12 ZINC001176771987 1071236702 /nfs/dbraw/zinc/23/67/02/1071236702.db2.gz LGPXDOHVBHSNLP-CQSZACIVSA-N 2 0 420.518 -0.284 20 0 HBADRP Cc1nnc(CC(=O)N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])[nH]1 ZINC001177441598 1071260970 /nfs/dbraw/zinc/26/09/70/1071260970.db2.gz WJCWLZNPVRAOKO-LGEZUQEUSA-N 2 0 412.535 -0.049 20 0 HBADRP Cc1nnc(CC(=O)N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])[nH]1 ZINC001177441599 1071261158 /nfs/dbraw/zinc/26/11/58/1071261158.db2.gz WJCWLZNPVRAOKO-LYHUEXMXSA-N 2 0 412.535 -0.049 20 0 HBADRP Cc1nnc(CC(=O)N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])[nH]1 ZINC001177441600 1071261042 /nfs/dbraw/zinc/26/10/42/1071261042.db2.gz WJCWLZNPVRAOKO-PUMWCKSCSA-N 2 0 412.535 -0.049 20 0 HBADRP Cc1nnc(CC(=O)N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])[nH]1 ZINC001177441601 1071260921 /nfs/dbraw/zinc/26/09/21/1071260921.db2.gz WJCWLZNPVRAOKO-TZUPDSNESA-N 2 0 412.535 -0.049 20 0 HBADRP CN1C[C@H](C(=O)N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])CC1=O ZINC001178529655 1071292436 /nfs/dbraw/zinc/29/24/36/1071292436.db2.gz XZTPUXKKMSBPTA-FFPHAYDPSA-N 2 0 414.547 -0.240 20 0 HBADRP CN1C[C@H](C(=O)N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])CC1=O ZINC001178529656 1071292496 /nfs/dbraw/zinc/29/24/96/1071292496.db2.gz XZTPUXKKMSBPTA-LSBKGPGRSA-N 2 0 414.547 -0.240 20 0 HBADRP CN1C[C@H](C(=O)N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])CC1=O ZINC001178529657 1071292534 /nfs/dbraw/zinc/29/25/34/1071292534.db2.gz XZTPUXKKMSBPTA-MZFDWZRLSA-N 2 0 414.547 -0.240 20 0 HBADRP CN1C[C@H](C(=O)N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])CC1=O ZINC001178529658 1071292971 /nfs/dbraw/zinc/29/29/71/1071292971.db2.gz XZTPUXKKMSBPTA-SOAYJNKUSA-N 2 0 414.547 -0.240 20 0 HBADRP C[N@@H+]1C[C@@H](C(=O)NCC[NH2+]CCO)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179156299 1071310956 /nfs/dbraw/zinc/31/09/56/1071310956.db2.gz HUKJQPQCJBCJJP-HNNXBMFYSA-N 2 0 400.520 -0.215 20 0 HBADRP C[N@@H+]1C[C@H](C(=O)NCC[NH2+]CCO)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179156300 1071311040 /nfs/dbraw/zinc/31/10/40/1071311040.db2.gz HUKJQPQCJBCJJP-OAHLLOKOSA-N 2 0 400.520 -0.215 20 0 HBADRP CC(C)(C)OC(=O)N1CC2(C1)[C@@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])CCS2(=O)=O ZINC001179361967 1071318109 /nfs/dbraw/zinc/31/81/09/1071318109.db2.gz BFDNLSJBECXFAH-GFCCVEGCSA-N 2 0 417.532 -0.128 20 0 HBADRP CC(C)(C)OC(=O)N1CC2(C1)[C@H](C(=O)N(CCCC[NH3+])C(N)=[NH2+])CCS2(=O)=O ZINC001179361979 1071318140 /nfs/dbraw/zinc/31/81/40/1071318140.db2.gz BFDNLSJBECXFAH-LBPRGKRZSA-N 2 0 417.532 -0.128 20 0 HBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C2=NNC(=O)CC2)[C@H](O)OC(C)(C)C)C1 ZINC001180260755 1071333454 /nfs/dbraw/zinc/33/34/54/1071333454.db2.gz WMMSTBZPLSUYAZ-HEWKYXSKSA-N 2 0 413.519 -0.452 20 0 HBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C2=NNC(=O)CC2)[C@@H](O)OC(C)(C)C)C1 ZINC001180260756 1071333554 /nfs/dbraw/zinc/33/35/54/1071333554.db2.gz WMMSTBZPLSUYAZ-PHRGQOSZSA-N 2 0 413.519 -0.452 20 0 HBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C2=NNC(=O)CC2)[C@H](O)OC(C)(C)C)C1 ZINC001180260757 1071333792 /nfs/dbraw/zinc/33/37/92/1071333792.db2.gz WMMSTBZPLSUYAZ-UADLYPOBSA-N 2 0 413.519 -0.452 20 0 HBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C2=NNC(=O)CC2)[C@@H](O)OC(C)(C)C)C1 ZINC001180260758 1071333498 /nfs/dbraw/zinc/33/34/98/1071333498.db2.gz WMMSTBZPLSUYAZ-ULFFPRONSA-N 2 0 413.519 -0.452 20 0 HBADRP CC(C)[NH+]1CCN(CC(=O)N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)CC1 ZINC001180345723 1071337166 /nfs/dbraw/zinc/33/71/66/1071337166.db2.gz TYTWKJADSYSWJD-UHFFFAOYSA-N 2 0 403.575 -0.001 20 0 HBADRP CC(C)[NH+]1CCN(CC(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)CC1 ZINC001180345741 1071337374 /nfs/dbraw/zinc/33/73/74/1071337374.db2.gz USCBQDCZONKQEM-UHFFFAOYSA-N 2 0 422.618 -0.291 20 0 HBADRP CC(C)[NH+]1CCN(CC(=O)N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)CC1 ZINC001180345791 1071336990 /nfs/dbraw/zinc/33/69/90/1071336990.db2.gz WITFVAVNGCXALU-UHFFFAOYSA-N 2 0 406.531 -0.123 20 0 HBADRP CC(C)[NH+]1CCN(CC(=O)NCc2cc(N3CCS(=O)(=O)CC3)cc[nH+]2)CC1 ZINC001180353134 1071337784 /nfs/dbraw/zinc/33/77/84/1071337784.db2.gz XPMBPRSTCQCILJ-UHFFFAOYSA-N 2 0 409.556 -0.041 20 0 HBADRP COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001180409762 1071342463 /nfs/dbraw/zinc/34/24/63/1071342463.db2.gz LPSIUHUBWDVTOQ-JKSUJKDBSA-N 2 0 408.459 -0.428 20 0 HBADRP NC(=O)C1CC[NH+](CCC(=O)n2ccc(=[NH+]CCN3CCOCC3)c(N)c2)CC1 ZINC001180607750 1071351192 /nfs/dbraw/zinc/35/11/92/1071351192.db2.gz XVCHJIMPVFOBGP-UHFFFAOYSA-N 2 0 404.515 -0.469 20 0 HBADRP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)CC[NH+]1CCC(C(N)=O)CC1 ZINC001180608867 1071352227 /nfs/dbraw/zinc/35/22/27/1071352227.db2.gz KVGMLGBNSIXFGI-UHFFFAOYSA-N 2 0 413.500 -0.804 20 0 HBADRP C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)CC[NH+]2CCC(C(N)=O)CC2)CC3)CC1 ZINC001180609349 1071351955 /nfs/dbraw/zinc/35/19/55/1071351955.db2.gz SWDOCENMQOSCCI-UHFFFAOYSA-N 2 0 417.558 -0.440 20 0 HBADRP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)CC[NH+]1CCC(C(N)=O)CC1)CC2 ZINC001180609388 1071352033 /nfs/dbraw/zinc/35/20/33/1071352033.db2.gz VASUBZMRRVMCMX-UHFFFAOYSA-N 2 0 420.514 -0.562 20 0 HBADRP NC(=O)C1CC[NH+](CCC(=O)NCc2cc(N3CCS(=O)(=O)CC3)cc[nH+]2)CC1 ZINC001180611188 1071352701 /nfs/dbraw/zinc/35/27/01/1071352701.db2.gz DBNIXPIQOZPZKR-UHFFFAOYSA-N 2 0 423.539 -0.480 20 0 HBADRP CN1CCO[C@H](C(=O)N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])C1 ZINC001180763274 1071357020 /nfs/dbraw/zinc/35/70/20/1071357020.db2.gz IXSUUZBWVSOUFC-LAIMCUOGSA-N 2 0 416.563 -0.387 20 0 HBADRP CN1CCO[C@H](C(=O)N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])C1 ZINC001180763277 1071356886 /nfs/dbraw/zinc/35/68/86/1071356886.db2.gz IXSUUZBWVSOUFC-QQPKDZIPSA-N 2 0 416.563 -0.387 20 0 HBADRP CN1CCO[C@H](C(=O)N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])C1 ZINC001180763281 1071357299 /nfs/dbraw/zinc/35/72/99/1071357299.db2.gz IXSUUZBWVSOUFC-RKYZWWOHSA-N 2 0 416.563 -0.387 20 0 HBADRP CN1CCO[C@H](C(=O)N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])C1 ZINC001180763284 1071357108 /nfs/dbraw/zinc/35/71/08/1071357108.db2.gz IXSUUZBWVSOUFC-ZRLASGMHSA-N 2 0 416.563 -0.387 20 0 HBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2COCCO2)[C@@H](O)OC(C)(C)C)C1 ZINC001181006421 1071364792 /nfs/dbraw/zinc/36/47/92/1071364792.db2.gz ZOAQYWCSNOWFNQ-QPMXBGOESA-N 2 0 403.520 -0.303 20 0 HBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]2COCCO2)[C@H](O)OC(C)(C)C)C1 ZINC001181006422 1071364680 /nfs/dbraw/zinc/36/46/80/1071364680.db2.gz ZOAQYWCSNOWFNQ-VVHNNWHFSA-N 2 0 403.520 -0.303 20 0 HBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]2COCCO2)[C@@H](O)OC(C)(C)C)C1 ZINC001181006423 1071364598 /nfs/dbraw/zinc/36/45/98/1071364598.db2.gz ZOAQYWCSNOWFNQ-ZAQXRACLSA-N 2 0 403.520 -0.303 20 0 HBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2COCCO2)[C@H](O)OC(C)(C)C)C1 ZINC001181006424 1071364618 /nfs/dbraw/zinc/36/46/18/1071364618.db2.gz ZOAQYWCSNOWFNQ-ZRNNSCFXSA-N 2 0 403.520 -0.303 20 0 HBADRP Cn1nnc2c1CCN(C(=O)C1(O)CC[NH+](C)CC1)[C@H]2COCC[NH+]1CCCC1 ZINC001182031552 1071385846 /nfs/dbraw/zinc/38/58/46/1071385846.db2.gz NUXSKNNGYAZLMD-KRWDZBQOSA-N 2 0 406.531 -0.190 20 0 HBADRP Cn1nnc2c1CCN(C(=O)C1(O)CC[NH+](C)CC1)[C@@H]2COCC[NH+]1CCCC1 ZINC001182031563 1071385883 /nfs/dbraw/zinc/38/58/83/1071385883.db2.gz NUXSKNNGYAZLMD-QGZVFWFLSA-N 2 0 406.531 -0.190 20 0 HBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2C[C@@H]2C(N)=O)[C@H](O)OC(C)(C)C)C1 ZINC001182386719 1071406082 /nfs/dbraw/zinc/40/60/82/1071406082.db2.gz SNDJFGGKXSVWDQ-KEMJIEQFSA-N 2 0 400.520 -0.597 20 0 HBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2C[C@H]2C(N)=O)[C@H](O)OC(C)(C)C)C1 ZINC001182386720 1071406214 /nfs/dbraw/zinc/40/62/14/1071406214.db2.gz SNDJFGGKXSVWDQ-QOOVDTBMSA-N 2 0 400.520 -0.597 20 0 HBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2C[C@@H]2C(N)=O)[C@@H](O)OC(C)(C)C)C1 ZINC001182386721 1071406016 /nfs/dbraw/zinc/40/60/16/1071406016.db2.gz SNDJFGGKXSVWDQ-XDFRTVLBSA-N 2 0 400.520 -0.597 20 0 HBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2C[C@H]2C(N)=O)[C@@H](O)OC(C)(C)C)C1 ZINC001182386722 1071406163 /nfs/dbraw/zinc/40/61/63/1071406163.db2.gz SNDJFGGKXSVWDQ-XYAPYXASSA-N 2 0 400.520 -0.597 20 0 HBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2CCNC2=O)[C@H](O)OC(C)(C)C)C1 ZINC001183030340 1071444210 /nfs/dbraw/zinc/44/42/10/1071444210.db2.gz GTTDYALMYAYGEY-BEBXJFISSA-N 2 0 400.520 -0.582 20 0 HBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]2CCNC2=O)[C@@H](O)OC(C)(C)C)C1 ZINC001183030341 1071444335 /nfs/dbraw/zinc/44/43/35/1071444335.db2.gz GTTDYALMYAYGEY-LJVDNRPASA-N 2 0 400.520 -0.582 20 0 HBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2CCNC2=O)[C@@H](O)OC(C)(C)C)C1 ZINC001183030342 1071444277 /nfs/dbraw/zinc/44/42/77/1071444277.db2.gz GTTDYALMYAYGEY-PYQQHIPCSA-N 2 0 400.520 -0.582 20 0 HBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]2CCNC2=O)[C@H](O)OC(C)(C)C)C1 ZINC001183030343 1071444146 /nfs/dbraw/zinc/44/41/46/1071444146.db2.gz GTTDYALMYAYGEY-RMGSKACKSA-N 2 0 400.520 -0.582 20 0 HBADRP CN1C[C@@H](C(=O)N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])NC1=O ZINC001183077865 1071448730 /nfs/dbraw/zinc/44/87/30/1071448730.db2.gz YDGKGEAKFOAWSX-DFIGXFEKSA-N 2 0 415.535 -0.694 20 0 HBADRP CN1C[C@@H](C(=O)N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])NC1=O ZINC001183077866 1071448799 /nfs/dbraw/zinc/44/87/99/1071448799.db2.gz YDGKGEAKFOAWSX-FEYHDCIHSA-N 2 0 415.535 -0.694 20 0 HBADRP CN1C[C@@H](C(=O)N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])NC1=O ZINC001183077867 1071448882 /nfs/dbraw/zinc/44/88/82/1071448882.db2.gz YDGKGEAKFOAWSX-PPAQHCMJSA-N 2 0 415.535 -0.694 20 0 HBADRP CN1C[C@@H](C(=O)N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])NC1=O ZINC001183077868 1071448684 /nfs/dbraw/zinc/44/86/84/1071448684.db2.gz YDGKGEAKFOAWSX-XFEXQEHJSA-N 2 0 415.535 -0.694 20 0 HBADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@@H](O)Cc1ccc(O)cc1)CC2 ZINC001183896325 1071481253 /nfs/dbraw/zinc/48/12/53/1071481253.db2.gz NBCIRKVVJAISNS-IBGZPJMESA-N 2 0 418.538 -0.008 20 0 HBADRP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@H](O)Cc1ccc(O)cc1)CC2 ZINC001183896326 1071481345 /nfs/dbraw/zinc/48/13/45/1071481345.db2.gz NBCIRKVVJAISNS-LJQANCHMSA-N 2 0 418.538 -0.008 20 0 HBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C2(CO)COC2)[C@@H](O)OC(C)(C)C)C1 ZINC001184046980 1071487529 /nfs/dbraw/zinc/48/75/29/1071487529.db2.gz NOTVJYCJLQMYAX-BWJWTDLKSA-N 2 0 403.520 -0.709 20 0 HBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C2(CO)COC2)[C@@H](O)OC(C)(C)C)C1 ZINC001184046986 1071487437 /nfs/dbraw/zinc/48/74/37/1071487437.db2.gz NOTVJYCJLQMYAX-JGFGOLAASA-N 2 0 403.520 -0.709 20 0 HBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C2(CO)COC2)[C@H](O)OC(C)(C)C)C1 ZINC001184046987 1071487552 /nfs/dbraw/zinc/48/75/52/1071487552.db2.gz NOTVJYCJLQMYAX-NBFUAULTSA-N 2 0 403.520 -0.709 20 0 HBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)C2(CO)COC2)[C@H](O)OC(C)(C)C)C1 ZINC001184046988 1071487507 /nfs/dbraw/zinc/48/75/07/1071487507.db2.gz NOTVJYCJLQMYAX-WNZSCWOMSA-N 2 0 403.520 -0.709 20 0 HBADRP CN1C(=O)CC[C@H]1C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001184332476 1071492855 /nfs/dbraw/zinc/49/28/55/1071492855.db2.gz BCKBIZWIYAGLGG-AZQUSHFISA-N 2 0 414.547 -0.097 20 0 HBADRP CN1C(=O)CC[C@H]1C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001184332477 1071492758 /nfs/dbraw/zinc/49/27/58/1071492758.db2.gz BCKBIZWIYAGLGG-FUZQMIKYSA-N 2 0 414.547 -0.097 20 0 HBADRP CN1C(=O)CC[C@H]1C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001184332478 1071492796 /nfs/dbraw/zinc/49/27/96/1071492796.db2.gz BCKBIZWIYAGLGG-KDWNQABDSA-N 2 0 414.547 -0.097 20 0 HBADRP CN1C(=O)CC[C@H]1C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001184332479 1071492739 /nfs/dbraw/zinc/49/27/39/1071492739.db2.gz BCKBIZWIYAGLGG-SWLGVLRJSA-N 2 0 414.547 -0.097 20 0 HBADRP Cn1nnc2c1CCN(C(=O)[C@H]1C[N@H+](C)CCN1C)[C@H]2COCC[NH+]1CCCC1 ZINC001185251026 1071509413 /nfs/dbraw/zinc/50/94/13/1071509413.db2.gz LIAWLWABSRBCNX-MSOLQXFVSA-N 2 0 405.547 -0.401 20 0 HBADRP Cn1nnc2c1CCN(C(=O)[C@H]1C[N@H+](C)CCN1C)[C@@H]2COCC[NH+]1CCCC1 ZINC001185251034 1071509720 /nfs/dbraw/zinc/50/97/20/1071509720.db2.gz LIAWLWABSRBCNX-QZTJIDSGSA-N 2 0 405.547 -0.401 20 0 HBADRP Cn1nnc2c1CCN(C(=O)[C@@H]1C[N@H+](C)CCN1C)[C@H]2COCC[NH+]1CCCC1 ZINC001185251036 1071509644 /nfs/dbraw/zinc/50/96/44/1071509644.db2.gz LIAWLWABSRBCNX-ROUUACIJSA-N 2 0 405.547 -0.401 20 0 HBADRP Cn1nnc2c1CCN(C(=O)[C@@H]1C[N@H+](C)CCN1C)[C@@H]2COCC[NH+]1CCCC1 ZINC001185251037 1071509918 /nfs/dbraw/zinc/50/99/18/1071509918.db2.gz LIAWLWABSRBCNX-ZWKOTPCHSA-N 2 0 405.547 -0.401 20 0 HBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN2CC[C@@H](O)C2)[C@@H](O)OC(C)(C)C)C1 ZINC001186054551 1071541239 /nfs/dbraw/zinc/54/12/39/1071541239.db2.gz FQNYRQRGQXYBGQ-FCXOMPEDSA-N 2 0 416.563 -0.651 20 0 HBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN2CC[C@@H](O)C2)[C@H](O)OC(C)(C)C)C1 ZINC001186054556 1071541127 /nfs/dbraw/zinc/54/11/27/1071541127.db2.gz FQNYRQRGQXYBGQ-HDVFIIHRSA-N 2 0 416.563 -0.651 20 0 HBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN2CC[C@H](O)C2)[C@@H](O)OC(C)(C)C)C1 ZINC001186054558 1071541300 /nfs/dbraw/zinc/54/13/00/1071541300.db2.gz FQNYRQRGQXYBGQ-SCVNYCPESA-N 2 0 416.563 -0.651 20 0 HBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN2CC[C@H](O)C2)[C@H](O)OC(C)(C)C)C1 ZINC001186054561 1071541370 /nfs/dbraw/zinc/54/13/70/1071541370.db2.gz FQNYRQRGQXYBGQ-UPHDCGPKSA-N 2 0 416.563 -0.651 20 0 HBADRP COC(=O)[C@H]1CC[N@H+](CC(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)C1 ZINC001186106488 1071543960 /nfs/dbraw/zinc/54/39/60/1071543960.db2.gz OPWAQJZOXJTZCJ-KRWDZBQOSA-N 2 0 423.558 -0.822 20 0 HBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN2CCC(=O)C2)[C@@H](O)OC(C)(C)C)C1 ZINC001187337979 1071587755 /nfs/dbraw/zinc/58/77/55/1071587755.db2.gz ZXUGJUZREMHKHC-AJFIWVJRSA-N 2 0 414.547 -0.443 20 0 HBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN2CCC(=O)C2)[C@H](O)OC(C)(C)C)C1 ZINC001187337980 1071587726 /nfs/dbraw/zinc/58/77/26/1071587726.db2.gz ZXUGJUZREMHKHC-AOILIUCDSA-N 2 0 414.547 -0.443 20 0 HBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN2CCC(=O)C2)[C@@H](O)OC(C)(C)C)C1 ZINC001187337981 1071587794 /nfs/dbraw/zinc/58/77/94/1071587794.db2.gz ZXUGJUZREMHKHC-KWFCSAJOSA-N 2 0 414.547 -0.443 20 0 HBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN2CCC(=O)C2)[C@H](O)OC(C)(C)C)C1 ZINC001187337982 1071587831 /nfs/dbraw/zinc/58/78/31/1071587831.db2.gz ZXUGJUZREMHKHC-MUMMTRGTSA-N 2 0 414.547 -0.443 20 0 HBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cncnc2N)[C@@H](O)OC(C)(C)C)C1 ZINC001189122227 1071618480 /nfs/dbraw/zinc/61/84/80/1071618480.db2.gz RNDHLMMSFJIRMG-FZZNLJMESA-N 2 0 410.519 -0.032 20 0 HBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cncnc2N)[C@H](O)OC(C)(C)C)C1 ZINC001189122229 1071618496 /nfs/dbraw/zinc/61/84/96/1071618496.db2.gz RNDHLMMSFJIRMG-QAROQHHFSA-N 2 0 410.519 -0.032 20 0 HBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cncnc2N)[C@H](O)OC(C)(C)C)C1 ZINC001189122231 1071618372 /nfs/dbraw/zinc/61/83/72/1071618372.db2.gz RNDHLMMSFJIRMG-RUNRAXEVSA-N 2 0 410.519 -0.032 20 0 HBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cncnc2N)[C@@H](O)OC(C)(C)C)C1 ZINC001189122233 1071618411 /nfs/dbraw/zinc/61/84/11/1071618411.db2.gz RNDHLMMSFJIRMG-XWKYAYKISA-N 2 0 410.519 -0.032 20 0 HBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2ncc[nH]c2=O)[C@H](O)OC(C)(C)C)C1 ZINC001191518323 1071655086 /nfs/dbraw/zinc/65/50/86/1071655086.db2.gz LDSHQPRCEFPLFU-DRNBVBJMSA-N 2 0 411.503 -0.321 20 0 HBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2ncc[nH]c2=O)[C@@H](O)OC(C)(C)C)C1 ZINC001191518324 1071655014 /nfs/dbraw/zinc/65/50/14/1071655014.db2.gz LDSHQPRCEFPLFU-HBRUNIRZSA-N 2 0 411.503 -0.321 20 0 HBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2ncc[nH]c2=O)[C@H](O)OC(C)(C)C)C1 ZINC001191518325 1071654878 /nfs/dbraw/zinc/65/48/78/1071654878.db2.gz LDSHQPRCEFPLFU-LIHYCIDNSA-N 2 0 411.503 -0.321 20 0 HBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2ncc[nH]c2=O)[C@@H](O)OC(C)(C)C)C1 ZINC001191518326 1071655470 /nfs/dbraw/zinc/65/54/70/1071655470.db2.gz LDSHQPRCEFPLFU-QINXNJMQSA-N 2 0 411.503 -0.321 20 0 HBADRP COc1ccc(CN2CCCN(C(=O)C[N@@H+]3C[C@@H]4C(=O)NC(=O)[C@@H]4C3)CC2)cc1 ZINC001194525079 1071704199 /nfs/dbraw/zinc/70/41/99/1071704199.db2.gz JEMODABXIORVOS-HDICACEKSA-N 2 0 400.479 -0.066 20 0 HBADRP CN1CCN(c2cc(S(C)(=O)=O)ccc2C(=O)N(CCCC[NH3+])C(N)=[NH2+])CC1 ZINC001194649631 1071706164 /nfs/dbraw/zinc/70/61/64/1071706164.db2.gz RBJYXEAANDYHCS-UHFFFAOYSA-N 2 0 410.544 -0.084 20 0 HBADRP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+]3C[C@H](C(N)=O)[C@H](C(N)=O)C3)cc2)CC1 ZINC001196093040 1071733300 /nfs/dbraw/zinc/73/33/00/1071733300.db2.gz LIOAJLRRYUFCPO-CALCHBBNSA-N 2 0 402.499 -0.714 20 0 HBADRP CC[NH+]1CCN(c2ccc(NC(=O)C[NH+]3C[C@@H](C(N)=O)[C@H](C(N)=O)C3)cc2)CC1 ZINC001196093042 1071733363 /nfs/dbraw/zinc/73/33/63/1071733363.db2.gz LIOAJLRRYUFCPO-IAGOWNOFSA-N 2 0 402.499 -0.714 20 0 HBADRP CC[NH+]1CCN(c2ccc(NC(=O)C[NH+]3C[C@H](C(N)=O)[C@@H](C(N)=O)C3)cc2)CC1 ZINC001196093044 1071733326 /nfs/dbraw/zinc/73/33/26/1071733326.db2.gz LIOAJLRRYUFCPO-IRXDYDNUSA-N 2 0 402.499 -0.714 20 0 HBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cncc(=O)[nH]2)[C@H](O)OC(C)(C)C)C1 ZINC001196169448 1071735161 /nfs/dbraw/zinc/73/51/61/1071735161.db2.gz QDKNRBAVBBAQHX-HEWKYXSKSA-N 2 0 411.503 -0.321 20 0 HBADRP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cncc(=O)[nH]2)[C@@H](O)OC(C)(C)C)C1 ZINC001196169453 1071735096 /nfs/dbraw/zinc/73/50/96/1071735096.db2.gz QDKNRBAVBBAQHX-PHRGQOSZSA-N 2 0 411.503 -0.321 20 0 HBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cncc(=O)[nH]2)[C@H](O)OC(C)(C)C)C1 ZINC001196169454 1071735081 /nfs/dbraw/zinc/73/50/81/1071735081.db2.gz QDKNRBAVBBAQHX-UADLYPOBSA-N 2 0 411.503 -0.321 20 0 HBADRP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)c2cncc(=O)[nH]2)[C@@H](O)OC(C)(C)C)C1 ZINC001196169455 1071735236 /nfs/dbraw/zinc/73/52/36/1071735236.db2.gz QDKNRBAVBBAQHX-ULFFPRONSA-N 2 0 411.503 -0.321 20 0 HBADRP C[NH+](C)CC1(O)CC[NH+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 ZINC001196546210 1071740528 /nfs/dbraw/zinc/74/05/28/1071740528.db2.gz XAYFOLVXSRGTGH-UHFFFAOYSA-N 2 0 424.567 -0.092 20 0 HBADRP C[C@H]([NH3+])C(=O)N[C@H](CCc1nc(-c2ccccc2N2CC[NH+](C)CC2)no1)C(N)=O ZINC001211998510 1069301785 /nfs/dbraw/zinc/30/17/85/1069301785.db2.gz SGUOUTAAPAYDEV-DZGCQCFKSA-N 2 0 415.498 -0.262 20 0 HBADRP C[C@H]([NH3+])C(=O)N[C@H](CCc1nc(-c2ccc(N3CC[NH+](C)CC3)cc2)no1)C(N)=O ZINC001211998698 1069301956 /nfs/dbraw/zinc/30/19/56/1069301956.db2.gz XDARRXJNBTUYFQ-XJKSGUPXSA-N 2 0 415.498 -0.262 20 0 HBADRP C[C@H]([NH3+])C(=O)N[C@H](CCc1nc(-c2cccc(N3CC[NH+](C)CC3)c2)no1)C(N)=O ZINC001211998717 1069302357 /nfs/dbraw/zinc/30/23/57/1069302357.db2.gz XZFWFJDGPATWHK-XJKSGUPXSA-N 2 0 415.498 -0.262 20 0 HBADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)c1nc(-c2cccc(N3CC[NH+](C)CC3)c2)no1 ZINC001212020491 1069303452 /nfs/dbraw/zinc/30/34/52/1069303452.db2.gz KMYQPAZETPJCDT-WFASDCNBSA-N 2 0 401.471 -0.132 20 0 HBADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)c1nc(-c2ccccc2N2CC[NH+](C)CC2)no1 ZINC001212022747 1069303830 /nfs/dbraw/zinc/30/38/30/1069303830.db2.gz DCCCXWXNRGKEIZ-JSGCOSHPSA-N 2 0 401.471 -0.132 20 0 HBADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)c1nc(-c2cccc(CN3CC[NH+](C)CC3)c2)no1 ZINC001212022937 1069304095 /nfs/dbraw/zinc/30/40/95/1069304095.db2.gz JVPSEEHNGOLNOL-BBRMVZONSA-N 2 0 415.498 -0.136 20 0 HBADRP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)c1nc(-c2ccc(N3CC[NH+](C)CC3)cc2)no1 ZINC001212023207 1069303780 /nfs/dbraw/zinc/30/37/80/1069303780.db2.gz UWVGTVJKVJSFRM-WFASDCNBSA-N 2 0 401.471 -0.132 20 0 HBADRP C[NH+]1CCN(CCCS(=O)(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CC1 ZINC001212158224 1070775507 /nfs/dbraw/zinc/77/55/07/1070775507.db2.gz NODVLLAVQRVRJY-UHFFFAOYSA-N 2 0 417.620 -0.660 20 0 HBADRP Cc1noc(C)c1S(=O)(=O)NCC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001648968074 1071165279 /nfs/dbraw/zinc/16/52/79/1071165279.db2.gz LDKLTSGEOCHNHW-HUUCEWRRSA-N 2 0 401.533 -0.232 20 0 HBADRP C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2ccc(S(C)(=O)=O)nc2)C[C@H]1C[NH+](C)C ZINC001670881795 1071741004 /nfs/dbraw/zinc/74/10/04/1071741004.db2.gz VBZCMSKOWAKHPN-ZIAGYGMSSA-N 2 0 404.558 -0.155 20 0 HBADRP CCOC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC1 ZINC001670881875 1071741066 /nfs/dbraw/zinc/74/10/66/1071741066.db2.gz WWSZNUCGPRSROO-HZPDHXFCSA-N 2 0 405.565 -0.324 20 0 HBADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1nnc2c(=O)n(C)ccn12 ZINC001687432749 1071033365 /nfs/dbraw/zinc/03/33/65/1071033365.db2.gz ZGCXYWPTQYGSDO-HNNXBMFYSA-N 2 0 404.519 -0.015 20 0 HBADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1nnc2c(=O)n(C)ccn12 ZINC001687432750 1071033374 /nfs/dbraw/zinc/03/33/74/1071033374.db2.gz ZGCXYWPTQYGSDO-OAHLLOKOSA-N 2 0 404.519 -0.015 20 0 HBADRP