smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CNC(=O)C[NH+]1CCC(Nc2nc(NC3CC[NH+](CC(=O)NC)CC3)nc(OC)n2)CC1 ZINC000426543305 1067733673 /nfs/dbraw/zinc/73/36/73/1067733673.db2.gz IKTYJHQHQJBBIY-UHFFFAOYSA-N 2 2 449.560 -2.031 20 0 IAADLP COCCCS(=O)(=O)NCC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000431923544 1067667834 /nfs/dbraw/zinc/66/78/34/1067667834.db2.gz HYQUUNSNEGZIOL-UHFFFAOYSA-N 2 2 447.602 -1.361 20 0 IAADLP CN(CC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000434108159 1067698006 /nfs/dbraw/zinc/69/80/06/1067698006.db2.gz DJOZKYRQWBXSOE-GOSISDBHSA-N 2 2 443.614 -1.198 20 0 IAADLP CN(CC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000434108160 1067698070 /nfs/dbraw/zinc/69/80/70/1067698070.db2.gz DJOZKYRQWBXSOE-SFHVURJKSA-N 2 2 443.614 -1.198 20 0 IAADLP CC[NH+]1CCO[C@H](C(=O)N2CCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)[C@H](C(=O)N(C)C)C2)C1 ZINC000434253093 1067711237 /nfs/dbraw/zinc/71/12/37/1067711237.db2.gz GWECPJBAENVHJQ-BZSNNMDCSA-N 2 2 439.557 -1.445 20 0 IAADLP CC[NH+]1CCO[C@H](C(=O)N2CCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)[C@H](C(=O)N(C)C)C2)C1 ZINC000434253093 1067711231 /nfs/dbraw/zinc/71/12/31/1067711231.db2.gz GWECPJBAENVHJQ-BZSNNMDCSA-N 2 2 439.557 -1.445 20 0 IAADLP CC[NH+]1CCO[C@H](C(=O)N2CCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C[C@H]2C(=O)N(C)C)C1 ZINC000434253093 1067711226 /nfs/dbraw/zinc/71/12/26/1067711226.db2.gz GWECPJBAENVHJQ-BZSNNMDCSA-N 2 2 439.557 -1.445 20 0 IAADLP CC[NH+]1CCO[C@H](C(=O)N2CCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C[C@H]2C(=O)N(C)C)C1 ZINC000434253093 1067711219 /nfs/dbraw/zinc/71/12/19/1067711219.db2.gz GWECPJBAENVHJQ-BZSNNMDCSA-N 2 2 439.557 -1.445 20 0 IAADLP CC[NH+]1CCO[C@H](C(=O)N2CCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)[C@@H](C(=O)N(C)C)C2)C1 ZINC000434253094 1067711792 /nfs/dbraw/zinc/71/17/92/1067711792.db2.gz GWECPJBAENVHJQ-FGTMMUONSA-N 2 2 439.557 -1.445 20 0 IAADLP CC[NH+]1CCO[C@H](C(=O)N2CCN(C(=O)[C@H]3C[N@H+](CC)CCO3)[C@@H](C(=O)N(C)C)C2)C1 ZINC000434253094 1067711786 /nfs/dbraw/zinc/71/17/86/1067711786.db2.gz GWECPJBAENVHJQ-FGTMMUONSA-N 2 2 439.557 -1.445 20 0 IAADLP CC[NH+]1CCO[C@@H](C(=O)N2CCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C[C@@H]2C(=O)N(C)C)C1 ZINC000434253094 1067711781 /nfs/dbraw/zinc/71/17/81/1067711781.db2.gz GWECPJBAENVHJQ-FGTMMUONSA-N 2 2 439.557 -1.445 20 0 IAADLP CC[NH+]1CCO[C@@H](C(=O)N2CCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C[C@@H]2C(=O)N(C)C)C1 ZINC000434253094 1067711775 /nfs/dbraw/zinc/71/17/75/1067711775.db2.gz GWECPJBAENVHJQ-FGTMMUONSA-N 2 2 439.557 -1.445 20 0 IAADLP CC[NH+]1CCO[C@H](C(=O)N2CCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)[C@H](C(=O)N(C)C)C2)C1 ZINC000434253095 1067711610 /nfs/dbraw/zinc/71/16/10/1067711610.db2.gz GWECPJBAENVHJQ-OKZBNKHCSA-N 2 2 439.557 -1.445 20 0 IAADLP CC[NH+]1CCO[C@H](C(=O)N2CCN(C(=O)[C@H]3C[N@H+](CC)CCO3)[C@H](C(=O)N(C)C)C2)C1 ZINC000434253095 1067711598 /nfs/dbraw/zinc/71/15/98/1067711598.db2.gz GWECPJBAENVHJQ-OKZBNKHCSA-N 2 2 439.557 -1.445 20 0 IAADLP CC[NH+]1CCO[C@@H](C(=O)N2CCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C[C@H]2C(=O)N(C)C)C1 ZINC000434253095 1067711589 /nfs/dbraw/zinc/71/15/89/1067711589.db2.gz GWECPJBAENVHJQ-OKZBNKHCSA-N 2 2 439.557 -1.445 20 0 IAADLP CC[NH+]1CCO[C@@H](C(=O)N2CCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C[C@H]2C(=O)N(C)C)C1 ZINC000434253095 1067711581 /nfs/dbraw/zinc/71/15/81/1067711581.db2.gz GWECPJBAENVHJQ-OKZBNKHCSA-N 2 2 439.557 -1.445 20 0 IAADLP CC[NH+]1CCO[C@H](C(=O)N2CCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)[C@@H](C(=O)N(C)C)C2)C1 ZINC000434253096 1067711719 /nfs/dbraw/zinc/71/17/19/1067711719.db2.gz GWECPJBAENVHJQ-SQNIBIBYSA-N 2 2 439.557 -1.445 20 0 IAADLP CC[NH+]1CCO[C@H](C(=O)N2CCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)[C@@H](C(=O)N(C)C)C2)C1 ZINC000434253096 1067711711 /nfs/dbraw/zinc/71/17/11/1067711711.db2.gz GWECPJBAENVHJQ-SQNIBIBYSA-N 2 2 439.557 -1.445 20 0 IAADLP CC[NH+]1CCO[C@H](C(=O)N2CCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C[C@@H]2C(=O)N(C)C)C1 ZINC000434253096 1067711705 /nfs/dbraw/zinc/71/17/05/1067711705.db2.gz GWECPJBAENVHJQ-SQNIBIBYSA-N 2 2 439.557 -1.445 20 0 IAADLP CC[NH+]1CCO[C@H](C(=O)N2CCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C[C@@H]2C(=O)N(C)C)C1 ZINC000434253096 1067711698 /nfs/dbraw/zinc/71/16/98/1067711698.db2.gz GWECPJBAENVHJQ-SQNIBIBYSA-N 2 2 439.557 -1.445 20 0 IAADLP CN(C)C(=O)[C@@H]1C[N@@H+](C[C@H](O)CN2CCOCC2)CCN1C[C@@H](O)C[NH+]1CCOCC1 ZINC000440954896 1067742383 /nfs/dbraw/zinc/74/23/83/1067742383.db2.gz IZVFURYMEIQVAG-AABGKKOBSA-N 2 2 443.589 -2.553 20 0 IAADLP CN(C)C(=O)[C@@H]1C[N@H+](C[C@H](O)CN2CCOCC2)CCN1C[C@@H](O)C[NH+]1CCOCC1 ZINC000440954896 1067742378 /nfs/dbraw/zinc/74/23/78/1067742378.db2.gz IZVFURYMEIQVAG-AABGKKOBSA-N 2 2 443.589 -2.553 20 0 IAADLP CN(C)C(=O)[C@@H]1C[N@@H+](C[C@H](O)CN2CCOCC2)CCN1C[C@H](O)C[NH+]1CCOCC1 ZINC000440954898 1067742434 /nfs/dbraw/zinc/74/24/34/1067742434.db2.gz IZVFURYMEIQVAG-AQNXPRMDSA-N 2 2 443.589 -2.553 20 0 IAADLP CN(C)C(=O)[C@@H]1C[N@H+](C[C@H](O)CN2CCOCC2)CCN1C[C@H](O)C[NH+]1CCOCC1 ZINC000440954898 1067742427 /nfs/dbraw/zinc/74/24/27/1067742427.db2.gz IZVFURYMEIQVAG-AQNXPRMDSA-N 2 2 443.589 -2.553 20 0 IAADLP CN(C)C(=O)[C@@H]1C[N@@H+](C[C@@H](O)CN2CCOCC2)CCN1C[C@@H](O)C[NH+]1CCOCC1 ZINC000440954900 1067742291 /nfs/dbraw/zinc/74/22/91/1067742291.db2.gz IZVFURYMEIQVAG-UFYCRDLUSA-N 2 2 443.589 -2.553 20 0 IAADLP CN(C)C(=O)[C@@H]1C[N@H+](C[C@@H](O)CN2CCOCC2)CCN1C[C@@H](O)C[NH+]1CCOCC1 ZINC000440954900 1067742286 /nfs/dbraw/zinc/74/22/86/1067742286.db2.gz IZVFURYMEIQVAG-UFYCRDLUSA-N 2 2 443.589 -2.553 20 0 IAADLP CN(C)C(=O)[C@@H]1C[N@@H+](C[C@@H](O)CN2CCOCC2)CCN1C[C@H](O)C[NH+]1CCOCC1 ZINC000440954902 1067742348 /nfs/dbraw/zinc/74/23/48/1067742348.db2.gz IZVFURYMEIQVAG-ZCNNSNEGSA-N 2 2 443.589 -2.553 20 0 IAADLP CN(C)C(=O)[C@@H]1C[N@H+](C[C@@H](O)CN2CCOCC2)CCN1C[C@H](O)C[NH+]1CCOCC1 ZINC000440954902 1067742342 /nfs/dbraw/zinc/74/23/42/1067742342.db2.gz IZVFURYMEIQVAG-ZCNNSNEGSA-N 2 2 443.589 -2.553 20 0 IAADLP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000446717996 1067986684 /nfs/dbraw/zinc/98/66/84/1067986684.db2.gz WNXFTQUPHJBNME-UHFFFAOYSA-N 2 2 449.556 -0.834 20 0 IAADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000448483729 1067785442 /nfs/dbraw/zinc/78/54/42/1067785442.db2.gz NROYOGZTVZOSJE-UHFFFAOYSA-N 2 2 426.485 -0.591 20 0 IAADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000448488585 1067785309 /nfs/dbraw/zinc/78/53/09/1067785309.db2.gz SBPJONZJLIKBSA-UHFFFAOYSA-N 2 2 433.557 -0.606 20 0 IAADLP C[N@H+]1CC[C@@](O)(CNC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000460247056 1067798483 /nfs/dbraw/zinc/79/84/83/1067798483.db2.gz MDRZHJBCFGXHPO-GOSISDBHSA-N 2 2 426.543 -1.101 20 0 IAADLP C[N@@H+]1CC[C@@](O)(CNC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000460247056 1067798479 /nfs/dbraw/zinc/79/84/79/1067798479.db2.gz MDRZHJBCFGXHPO-GOSISDBHSA-N 2 2 426.543 -1.101 20 0 IAADLP C[N@H+]1CC[C@](O)(CNC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000460247057 1067798628 /nfs/dbraw/zinc/79/86/28/1067798628.db2.gz MDRZHJBCFGXHPO-SFHVURJKSA-N 2 2 426.543 -1.101 20 0 IAADLP C[N@@H+]1CC[C@](O)(CNC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000460247057 1067798616 /nfs/dbraw/zinc/79/86/16/1067798616.db2.gz MDRZHJBCFGXHPO-SFHVURJKSA-N 2 2 426.543 -1.101 20 0 IAADLP C[NH+](CC(=O)N1CCN(C(=O)C[N@@H+](C)[C@@]2(CO)CCOC2)CC1)[C@]1(CO)CCOC1 ZINC000461366633 1067817311 /nfs/dbraw/zinc/81/73/11/1067817311.db2.gz OZKJEBTVJHTWCL-BGYRXZFFSA-N 2 2 428.530 -2.176 20 0 IAADLP C[NH+](CC(=O)N1CCN(C(=O)C[N@H+](C)[C@@]2(CO)CCOC2)CC1)[C@]1(CO)CCOC1 ZINC000461366633 1067817306 /nfs/dbraw/zinc/81/73/06/1067817306.db2.gz OZKJEBTVJHTWCL-BGYRXZFFSA-N 2 2 428.530 -2.176 20 0 IAADLP C[NH+](CC(=O)N1CCN(C(=O)C[N@H+](C)[C@]2(CO)CCOC2)CC1)[C@@]1(CO)CCOC1 ZINC000461366633 1067817299 /nfs/dbraw/zinc/81/72/99/1067817299.db2.gz OZKJEBTVJHTWCL-BGYRXZFFSA-N 2 2 428.530 -2.176 20 0 IAADLP C[NH+](CC(=O)N1CCN(C(=O)C[N@@H+](C)[C@]2(CO)CCOC2)CC1)[C@@]1(CO)CCOC1 ZINC000461366633 1067817292 /nfs/dbraw/zinc/81/72/92/1067817292.db2.gz OZKJEBTVJHTWCL-BGYRXZFFSA-N 2 2 428.530 -2.176 20 0 IAADLP C[NH+](CC(=O)N1CCN(C(=O)C[N@H+](C)[C@]2(CO)CCOC2)CC1)[C@]1(CO)CCOC1 ZINC000461366634 1067817469 /nfs/dbraw/zinc/81/74/69/1067817469.db2.gz OZKJEBTVJHTWCL-PMACEKPBSA-N 2 2 428.530 -2.176 20 0 IAADLP C[NH+](CC(=O)N1CCN(C(=O)C[N@@H+](C)[C@]2(CO)CCOC2)CC1)[C@]1(CO)CCOC1 ZINC000461366634 1067817450 /nfs/dbraw/zinc/81/74/50/1067817450.db2.gz OZKJEBTVJHTWCL-PMACEKPBSA-N 2 2 428.530 -2.176 20 0 IAADLP C[NH+](CC(=O)N1CCN(C(=O)C[N@H+](C)[C@@]2(CO)CCOC2)CC1)[C@@]1(CO)CCOC1 ZINC000461366635 1067817010 /nfs/dbraw/zinc/81/70/10/1067817010.db2.gz OZKJEBTVJHTWCL-WOJBJXKFSA-N 2 2 428.530 -2.176 20 0 IAADLP C[NH+](CC(=O)N1CCN(C(=O)C[N@@H+](C)[C@@]2(CO)CCOC2)CC1)[C@@]1(CO)CCOC1 ZINC000461366635 1067817001 /nfs/dbraw/zinc/81/70/01/1067817001.db2.gz OZKJEBTVJHTWCL-WOJBJXKFSA-N 2 2 428.530 -2.176 20 0 IAADLP O=C(CN(CC(=O)N1CC[NH+](CCO)CC1)c1ccccc1)N1CC[NH+](CCO)CC1 ZINC000461784281 1067818926 /nfs/dbraw/zinc/81/89/26/1067818926.db2.gz GXAKVEGFJBTQRO-UHFFFAOYSA-N 2 2 433.553 -1.234 20 0 IAADLP CNS(=O)(=O)NC1CC[NH+](C/C=C\C[NH+]2CCC(NS(=O)(=O)NC)CC2)CC1 ZINC000463213785 1067901444 /nfs/dbraw/zinc/90/14/44/1067901444.db2.gz QBLJEUIWODACOS-ARJAWSKDSA-N 2 2 438.620 -1.421 20 0 IAADLP CNS(=O)(=O)NC1CC[NH+](C/C=C/C[NH+]2CCC(NS(=O)(=O)NC)CC2)CC1 ZINC000463213790 1067901370 /nfs/dbraw/zinc/90/13/70/1067901370.db2.gz QBLJEUIWODACOS-ONEGZZNKSA-N 2 2 438.620 -1.421 20 0 IAADLP C[C@H](CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C[NH+]1CCN(C)CC1 ZINC000466152038 1067967466 /nfs/dbraw/zinc/96/74/66/1067967466.db2.gz XQHATBKGJJCHHP-GOSISDBHSA-N 2 2 445.634 -1.311 20 0 IAADLP C[C@@H](CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C[NH+]1CCN(C)CC1 ZINC000466152039 1067967598 /nfs/dbraw/zinc/96/75/98/1067967598.db2.gz XQHATBKGJJCHHP-SFHVURJKSA-N 2 2 445.634 -1.311 20 0 IAADLP CCOCCS(=O)(=O)NCC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000467190603 1068158325 /nfs/dbraw/zinc/15/83/25/1068158325.db2.gz HKVSYOOCQXNREA-UHFFFAOYSA-N 2 2 447.602 -1.361 20 0 IAADLP C[NH+](C)CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1=O ZINC000468488499 1068167932 /nfs/dbraw/zinc/16/79/32/1068167932.db2.gz QLDOZYOPLPIXBN-INIZCTEOSA-N 2 2 430.575 -1.967 20 0 IAADLP C[NH+](C)CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1=O ZINC000468488505 1068167875 /nfs/dbraw/zinc/16/78/75/1068167875.db2.gz QLDOZYOPLPIXBN-MRXNPFEDSA-N 2 2 430.575 -1.967 20 0 IAADLP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000477111996 1067985643 /nfs/dbraw/zinc/98/56/43/1067985643.db2.gz ZJVVWOZHYWMMKA-INIZCTEOSA-N 2 2 432.591 -1.531 20 0 IAADLP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000477112000 1067985783 /nfs/dbraw/zinc/98/57/83/1067985783.db2.gz ZJVVWOZHYWMMKA-MRXNPFEDSA-N 2 2 432.591 -1.531 20 0 IAADLP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000477131274 1067810458 /nfs/dbraw/zinc/81/04/58/1067810458.db2.gz DVRYWRGGQBPTSE-KRWDZBQOSA-N 2 2 432.591 -1.083 20 0 IAADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000477131274 1067810448 /nfs/dbraw/zinc/81/04/48/1067810448.db2.gz DVRYWRGGQBPTSE-KRWDZBQOSA-N 2 2 432.591 -1.083 20 0 IAADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000477131275 1067810296 /nfs/dbraw/zinc/81/02/96/1067810296.db2.gz DVRYWRGGQBPTSE-QGZVFWFLSA-N 2 2 432.591 -1.083 20 0 IAADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000477131275 1067810286 /nfs/dbraw/zinc/81/02/86/1067810286.db2.gz DVRYWRGGQBPTSE-QGZVFWFLSA-N 2 2 432.591 -1.083 20 0 IAADLP CS(=O)(=O)N1CCC[NH+](CCOCC[N@@H+]2CCCN(S(C)(=O)=O)CC2)CC1 ZINC000485005596 1067856960 /nfs/dbraw/zinc/85/69/60/1067856960.db2.gz OMZSLVPNHVDBIG-UHFFFAOYSA-N 2 2 426.605 -1.062 20 0 IAADLP CS(=O)(=O)N1CCC[NH+](CCOCC[N@H+]2CCCN(S(C)(=O)=O)CC2)CC1 ZINC000485005596 1067856952 /nfs/dbraw/zinc/85/69/52/1067856952.db2.gz OMZSLVPNHVDBIG-UHFFFAOYSA-N 2 2 426.605 -1.062 20 0 IAADLP CO[C@@H]1C[NH+](CC(=O)N2CCN(C(=O)C[N@@H+]3C[C@@H](OC)[C@@H](OC)C3)CC2)C[C@@H]1OC ZINC000488030115 1067863789 /nfs/dbraw/zinc/86/37/89/1067863789.db2.gz YJJOMBVDHXSCRJ-USTZCAOPSA-N 2 2 428.530 -1.652 20 0 IAADLP CO[C@@H]1C[NH+](CC(=O)N2CCN(C(=O)C[N@H+]3C[C@@H](OC)[C@@H](OC)C3)CC2)C[C@@H]1OC ZINC000488030115 1067863784 /nfs/dbraw/zinc/86/37/84/1067863784.db2.gz YJJOMBVDHXSCRJ-USTZCAOPSA-N 2 2 428.530 -1.652 20 0 IAADLP CO[C@@H]1C[NH+](CC(=O)N2CCN(C(=O)C[NH+]3C[C@H](OC)[C@@H](OC)C3)CC2)C[C@H]1OC ZINC000488082426 1067863561 /nfs/dbraw/zinc/86/35/61/1067863561.db2.gz YJJOMBVDHXSCRJ-BALXVJCKSA-N 2 2 428.530 -1.652 20 0 IAADLP CO[C@@H]1C[NH+](CC(=O)N2CCN(C(=O)C[N@H+]3C[C@@H](OC)[C@@H](OC)C3)CC2)C[C@H]1OC ZINC000488082429 1067863742 /nfs/dbraw/zinc/86/37/42/1067863742.db2.gz YJJOMBVDHXSCRJ-TVFCKZIOSA-N 2 2 428.530 -1.652 20 0 IAADLP CO[C@@H]1C[NH+](CC(=O)N2CCN(C(=O)C[N@@H+]3C[C@@H](OC)[C@@H](OC)C3)CC2)C[C@H]1OC ZINC000488082429 1067863734 /nfs/dbraw/zinc/86/37/34/1067863734.db2.gz YJJOMBVDHXSCRJ-TVFCKZIOSA-N 2 2 428.530 -1.652 20 0 IAADLP CO[C@@H]1C[N@@H+](CC(=O)N2CCN(C(=O)C[NH+]3C[C@H](OC)[C@@H](OC)C3)CC2)C[C@@H]1OC ZINC000488082432 1067863641 /nfs/dbraw/zinc/86/36/41/1067863641.db2.gz YJJOMBVDHXSCRJ-XLAORIBOSA-N 2 2 428.530 -1.652 20 0 IAADLP CO[C@@H]1C[N@H+](CC(=O)N2CCN(C(=O)C[NH+]3C[C@H](OC)[C@@H](OC)C3)CC2)C[C@@H]1OC ZINC000488082432 1067863632 /nfs/dbraw/zinc/86/36/32/1067863632.db2.gz YJJOMBVDHXSCRJ-XLAORIBOSA-N 2 2 428.530 -1.652 20 0 IAADLP CC[NH+]1CCO[C@@H](C(=O)NCCC(=O)N2CCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)CC2)C1 ZINC000497606004 1067925354 /nfs/dbraw/zinc/92/53/54/1067925354.db2.gz WPJRWRQSXAROTG-MSOLQXFVSA-N 2 2 439.557 -1.395 20 0 IAADLP CC[NH+]1CCO[C@@H](C(=O)NCCC(=O)N2CCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)CC2)C1 ZINC000497606004 1067925351 /nfs/dbraw/zinc/92/53/51/1067925351.db2.gz WPJRWRQSXAROTG-MSOLQXFVSA-N 2 2 439.557 -1.395 20 0 IAADLP CC[NH+]1CCO[C@H](C(=O)N2CCN(C(=O)CCNC(=O)[C@H]3C[N@@H+](CC)CCO3)CC2)C1 ZINC000497606004 1067925350 /nfs/dbraw/zinc/92/53/50/1067925350.db2.gz WPJRWRQSXAROTG-MSOLQXFVSA-N 2 2 439.557 -1.395 20 0 IAADLP CC[NH+]1CCO[C@H](C(=O)N2CCN(C(=O)CCNC(=O)[C@H]3C[N@H+](CC)CCO3)CC2)C1 ZINC000497606004 1067925347 /nfs/dbraw/zinc/92/53/47/1067925347.db2.gz WPJRWRQSXAROTG-MSOLQXFVSA-N 2 2 439.557 -1.395 20 0 IAADLP CC[NH+]1CCO[C@@H](C(=O)NCCC(=O)N2CCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)CC2)C1 ZINC000497606005 1067925421 /nfs/dbraw/zinc/92/54/21/1067925421.db2.gz WPJRWRQSXAROTG-QZTJIDSGSA-N 2 2 439.557 -1.395 20 0 IAADLP CC[NH+]1CCO[C@@H](C(=O)NCCC(=O)N2CCN(C(=O)[C@H]3C[N@H+](CC)CCO3)CC2)C1 ZINC000497606005 1067925418 /nfs/dbraw/zinc/92/54/18/1067925418.db2.gz WPJRWRQSXAROTG-QZTJIDSGSA-N 2 2 439.557 -1.395 20 0 IAADLP CC[NH+]1CCO[C@@H](C(=O)N2CCN(C(=O)CCNC(=O)[C@H]3C[N@@H+](CC)CCO3)CC2)C1 ZINC000497606005 1067925416 /nfs/dbraw/zinc/92/54/16/1067925416.db2.gz WPJRWRQSXAROTG-QZTJIDSGSA-N 2 2 439.557 -1.395 20 0 IAADLP CC[NH+]1CCO[C@@H](C(=O)N2CCN(C(=O)CCNC(=O)[C@H]3C[N@H+](CC)CCO3)CC2)C1 ZINC000497606005 1067925414 /nfs/dbraw/zinc/92/54/14/1067925414.db2.gz WPJRWRQSXAROTG-QZTJIDSGSA-N 2 2 439.557 -1.395 20 0 IAADLP CC[NH+]1CCO[C@H](C(=O)NCCC(=O)N2CCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)CC2)C1 ZINC000497606006 1067925396 /nfs/dbraw/zinc/92/53/96/1067925396.db2.gz WPJRWRQSXAROTG-ROUUACIJSA-N 2 2 439.557 -1.395 20 0 IAADLP CC[NH+]1CCO[C@H](C(=O)NCCC(=O)N2CCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)CC2)C1 ZINC000497606006 1067925395 /nfs/dbraw/zinc/92/53/95/1067925395.db2.gz WPJRWRQSXAROTG-ROUUACIJSA-N 2 2 439.557 -1.395 20 0 IAADLP CC[NH+]1CCO[C@H](C(=O)N2CCN(C(=O)CCNC(=O)[C@@H]3C[N@@H+](CC)CCO3)CC2)C1 ZINC000497606006 1067925392 /nfs/dbraw/zinc/92/53/92/1067925392.db2.gz WPJRWRQSXAROTG-ROUUACIJSA-N 2 2 439.557 -1.395 20 0 IAADLP CC[NH+]1CCO[C@H](C(=O)N2CCN(C(=O)CCNC(=O)[C@@H]3C[N@H+](CC)CCO3)CC2)C1 ZINC000497606006 1067925387 /nfs/dbraw/zinc/92/53/87/1067925387.db2.gz WPJRWRQSXAROTG-ROUUACIJSA-N 2 2 439.557 -1.395 20 0 IAADLP CC[NH+]1CCO[C@H](C(=O)NCCC(=O)N2CCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)CC2)C1 ZINC000497606007 1067925301 /nfs/dbraw/zinc/92/53/01/1067925301.db2.gz WPJRWRQSXAROTG-ZWKOTPCHSA-N 2 2 439.557 -1.395 20 0 IAADLP CC[NH+]1CCO[C@H](C(=O)NCCC(=O)N2CCN(C(=O)[C@H]3C[N@H+](CC)CCO3)CC2)C1 ZINC000497606007 1067925296 /nfs/dbraw/zinc/92/52/96/1067925296.db2.gz WPJRWRQSXAROTG-ZWKOTPCHSA-N 2 2 439.557 -1.395 20 0 IAADLP CC[NH+]1CCO[C@@H](C(=O)N2CCN(C(=O)CCNC(=O)[C@@H]3C[N@@H+](CC)CCO3)CC2)C1 ZINC000497606007 1067925293 /nfs/dbraw/zinc/92/52/93/1067925293.db2.gz WPJRWRQSXAROTG-ZWKOTPCHSA-N 2 2 439.557 -1.395 20 0 IAADLP CC[NH+]1CCO[C@@H](C(=O)N2CCN(C(=O)CCNC(=O)[C@@H]3C[N@H+](CC)CCO3)CC2)C1 ZINC000497606007 1067925287 /nfs/dbraw/zinc/92/52/87/1067925287.db2.gz WPJRWRQSXAROTG-ZWKOTPCHSA-N 2 2 439.557 -1.395 20 0 IAADLP CC1=CC[N@@H+](CCNC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000498948840 1067937834 /nfs/dbraw/zinc/93/78/34/1067937834.db2.gz CVRFDBPZDRVPMX-UHFFFAOYSA-N 2 2 442.586 -1.609 20 0 IAADLP CC1=CC[N@H+](CCNC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000498948840 1067937832 /nfs/dbraw/zinc/93/78/32/1067937832.db2.gz CVRFDBPZDRVPMX-UHFFFAOYSA-N 2 2 442.586 -1.609 20 0 IAADLP O=C(C[NH+]1CCC[C@H]2C(=O)NC[C@H]21)N1CCN(C(=O)C[N@H+]2CCC[C@H]3C(=O)NC[C@H]32)CC1 ZINC000500159763 1067669002 /nfs/dbraw/zinc/66/90/02/1067669002.db2.gz AIIIIIKCGWJUDR-BRSBDYLESA-N 2 2 446.552 -1.922 20 0 IAADLP O=C(C[NH+]1CCC[C@H]2C(=O)NC[C@H]21)N1CCN(C(=O)C[N@@H+]2CCC[C@H]3C(=O)NC[C@H]32)CC1 ZINC000500159763 1067668996 /nfs/dbraw/zinc/66/89/96/1067668996.db2.gz AIIIIIKCGWJUDR-BRSBDYLESA-N 2 2 446.552 -1.922 20 0 IAADLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)C2)CC1 ZINC000503600233 1067706284 /nfs/dbraw/zinc/70/62/84/1067706284.db2.gz ZKGPCQRWLZPKRZ-FQEVSTJZSA-N 2 2 436.601 -1.299 20 0 IAADLP CC[NH+]1CCN([C@H]2CC[N@H+](CC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)C2)CC1 ZINC000503600233 1067706279 /nfs/dbraw/zinc/70/62/79/1067706279.db2.gz ZKGPCQRWLZPKRZ-FQEVSTJZSA-N 2 2 436.601 -1.299 20 0 IAADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)C2)CC1 ZINC000503600234 1067706181 /nfs/dbraw/zinc/70/61/81/1067706181.db2.gz ZKGPCQRWLZPKRZ-HXUWFJFHSA-N 2 2 436.601 -1.299 20 0 IAADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)C2)CC1 ZINC000503600234 1067706170 /nfs/dbraw/zinc/70/61/70/1067706170.db2.gz ZKGPCQRWLZPKRZ-HXUWFJFHSA-N 2 2 436.601 -1.299 20 0 IAADLP C[NH+]1CCN(c2ncc(CN3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)cn2)CC1 ZINC000509404093 1067988853 /nfs/dbraw/zinc/98/88/53/1067988853.db2.gz QKHRNSUPPIDXSB-UHFFFAOYSA-N 2 2 438.602 -1.162 20 0 IAADLP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000509722558 1067914034 /nfs/dbraw/zinc/91/40/34/1067914034.db2.gz SWZSVCHSNZGKOU-UHFFFAOYSA-N 2 2 448.590 -2.293 20 0 IAADLP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000509722558 1067914032 /nfs/dbraw/zinc/91/40/32/1067914032.db2.gz SWZSVCHSNZGKOU-UHFFFAOYSA-N 2 2 448.590 -2.293 20 0 IAADLP C[NH+]1CCN(C(=O)CCNC(=O)COCC(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000511045763 1067638092 /nfs/dbraw/zinc/63/80/92/1067638092.db2.gz LKMXDYNAIRPGRU-UHFFFAOYSA-N 2 2 440.545 -2.436 20 0 IAADLP C[NH+]1CCN(C(=O)CCNC(=O)CCCC(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000511056707 1067638155 /nfs/dbraw/zinc/63/81/55/1067638155.db2.gz PETCQUJYDCOXDA-UHFFFAOYSA-N 2 2 438.573 -1.283 20 0 IAADLP C[C@H](NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C(C)(C)C[NH+](C)C ZINC000513463602 1067695162 /nfs/dbraw/zinc/69/51/62/1067695162.db2.gz OIVQFLSBSFQGST-INIZCTEOSA-N 2 2 446.618 -1.285 20 0 IAADLP C[C@@H](NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C(C)(C)C[NH+](C)C ZINC000513463603 1067695040 /nfs/dbraw/zinc/69/50/40/1067695040.db2.gz OIVQFLSBSFQGST-MRXNPFEDSA-N 2 2 446.618 -1.285 20 0 IAADLP CC[NH+]1CCC(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000516633281 1067722893 /nfs/dbraw/zinc/72/28/93/1067722893.db2.gz PTCKFCCJNOEQDD-UHFFFAOYSA-N 2 2 430.575 -1.777 20 0 IAADLP CN(C(=O)Cn1cnc2c(cnn2C)c1=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000518499479 1067730341 /nfs/dbraw/zinc/73/03/41/1067730341.db2.gz LIAKWQXFKCXAAD-UHFFFAOYSA-N 2 2 444.540 -1.173 20 0 IAADLP CN(C(=O)CN1CCS(=O)(=O)CC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000518499560 1067730773 /nfs/dbraw/zinc/73/07/73/1067730773.db2.gz QAVMYPNGEDMLAI-UHFFFAOYSA-N 2 2 429.587 -1.586 20 0 IAADLP COCC[NH+]1CCC(NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000518880270 1067732455 /nfs/dbraw/zinc/73/24/55/1067732455.db2.gz OCRDLTQUGSJAOC-UHFFFAOYSA-N 2 2 432.591 -1.083 20 0 IAADLP COCC[N@@H+](C)CCNC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000519808764 1067740861 /nfs/dbraw/zinc/74/08/61/1067740861.db2.gz AQQZQIRXSMQNRP-UHFFFAOYSA-N 2 2 434.563 -2.683 20 0 IAADLP COCC[N@H+](C)CCNC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000519808764 1067740849 /nfs/dbraw/zinc/74/08/49/1067740849.db2.gz AQQZQIRXSMQNRP-UHFFFAOYSA-N 2 2 434.563 -2.683 20 0 IAADLP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000532562965 1067982618 /nfs/dbraw/zinc/98/26/18/1067982618.db2.gz AKSLQIUVPKSKDM-KRWDZBQOSA-N 2 2 447.540 -1.081 20 0 IAADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000532562965 1067982613 /nfs/dbraw/zinc/98/26/13/1067982613.db2.gz AKSLQIUVPKSKDM-KRWDZBQOSA-N 2 2 447.540 -1.081 20 0 IAADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000532562979 1067982455 /nfs/dbraw/zinc/98/24/55/1067982455.db2.gz AKSLQIUVPKSKDM-QGZVFWFLSA-N 2 2 447.540 -1.081 20 0 IAADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000532562979 1067982450 /nfs/dbraw/zinc/98/24/50/1067982450.db2.gz AKSLQIUVPKSKDM-QGZVFWFLSA-N 2 2 447.540 -1.081 20 0 IAADLP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000532598525 1067790819 /nfs/dbraw/zinc/79/08/19/1067790819.db2.gz MIPCTTVBRLYMTP-UHFFFAOYSA-N 2 2 447.540 -1.080 20 0 IAADLP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000532998601 1067793069 /nfs/dbraw/zinc/79/30/69/1067793069.db2.gz ZPRGGXRXXNRFEI-UHFFFAOYSA-N 2 2 447.540 -1.080 20 0 IAADLP Cn1c(C[NH+](C)[C@H]2CCC[N@@H+](Cc3cc(=O)n(C)c(=O)n3C)CC2)cc(=O)n(C)c1=O ZINC000533147958 1067793960 /nfs/dbraw/zinc/79/39/60/1067793960.db2.gz ICAIOLVJLPJBRU-HNNXBMFYSA-N 2 2 432.525 -1.032 20 0 IAADLP Cn1c(C[NH+](C)[C@H]2CCC[N@H+](Cc3cc(=O)n(C)c(=O)n3C)CC2)cc(=O)n(C)c1=O ZINC000533147958 1067793953 /nfs/dbraw/zinc/79/39/53/1067793953.db2.gz ICAIOLVJLPJBRU-HNNXBMFYSA-N 2 2 432.525 -1.032 20 0 IAADLP Cn1c(C[N@@H+](C)[C@H]2CCC[NH+](Cc3cc(=O)n(C)c(=O)n3C)CC2)cc(=O)n(C)c1=O ZINC000533147958 1067793948 /nfs/dbraw/zinc/79/39/48/1067793948.db2.gz ICAIOLVJLPJBRU-HNNXBMFYSA-N 2 2 432.525 -1.032 20 0 IAADLP Cn1c(C[N@H+](C)[C@H]2CCC[NH+](Cc3cc(=O)n(C)c(=O)n3C)CC2)cc(=O)n(C)c1=O ZINC000533147958 1067793940 /nfs/dbraw/zinc/79/39/40/1067793940.db2.gz ICAIOLVJLPJBRU-HNNXBMFYSA-N 2 2 432.525 -1.032 20 0 IAADLP Cn1c(C[NH+](C)[C@@H]2CCC[N@@H+](Cc3cc(=O)n(C)c(=O)n3C)CC2)cc(=O)n(C)c1=O ZINC000533147959 1067793768 /nfs/dbraw/zinc/79/37/68/1067793768.db2.gz ICAIOLVJLPJBRU-OAHLLOKOSA-N 2 2 432.525 -1.032 20 0 IAADLP Cn1c(C[NH+](C)[C@@H]2CCC[N@H+](Cc3cc(=O)n(C)c(=O)n3C)CC2)cc(=O)n(C)c1=O ZINC000533147959 1067793753 /nfs/dbraw/zinc/79/37/53/1067793753.db2.gz ICAIOLVJLPJBRU-OAHLLOKOSA-N 2 2 432.525 -1.032 20 0 IAADLP Cn1c(C[N@@H+](C)[C@@H]2CCC[NH+](Cc3cc(=O)n(C)c(=O)n3C)CC2)cc(=O)n(C)c1=O ZINC000533147959 1067793743 /nfs/dbraw/zinc/79/37/43/1067793743.db2.gz ICAIOLVJLPJBRU-OAHLLOKOSA-N 2 2 432.525 -1.032 20 0 IAADLP Cn1c(C[N@H+](C)[C@@H]2CCC[NH+](Cc3cc(=O)n(C)c(=O)n3C)CC2)cc(=O)n(C)c1=O ZINC000533147959 1067793732 /nfs/dbraw/zinc/79/37/32/1067793732.db2.gz ICAIOLVJLPJBRU-OAHLLOKOSA-N 2 2 432.525 -1.032 20 0 IAADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000533316077 1067794517 /nfs/dbraw/zinc/79/45/17/1067794517.db2.gz LUMYDZXJDVSPDO-GOSISDBHSA-N 2 2 447.540 -1.081 20 0 IAADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000533316077 1067794507 /nfs/dbraw/zinc/79/45/07/1067794507.db2.gz LUMYDZXJDVSPDO-GOSISDBHSA-N 2 2 447.540 -1.081 20 0 IAADLP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000533316078 1067794850 /nfs/dbraw/zinc/79/48/50/1067794850.db2.gz LUMYDZXJDVSPDO-SFHVURJKSA-N 2 2 447.540 -1.081 20 0 IAADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000533316078 1067794845 /nfs/dbraw/zinc/79/48/45/1067794845.db2.gz LUMYDZXJDVSPDO-SFHVURJKSA-N 2 2 447.540 -1.081 20 0 IAADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH2+][C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)C1 ZINC000533516046 1067796147 /nfs/dbraw/zinc/79/61/47/1067796147.db2.gz BDWUCZZGTXGUQN-FGTMMUONSA-N 2 2 432.587 -1.453 20 0 IAADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)C1 ZINC000533516046 1067796139 /nfs/dbraw/zinc/79/61/39/1067796139.db2.gz BDWUCZZGTXGUQN-FGTMMUONSA-N 2 2 432.587 -1.453 20 0 IAADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)C1 ZINC000533516053 1067795947 /nfs/dbraw/zinc/79/59/47/1067795947.db2.gz BDWUCZZGTXGUQN-KURKYZTESA-N 2 2 432.587 -1.453 20 0 IAADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)C1 ZINC000533516053 1067795937 /nfs/dbraw/zinc/79/59/37/1067795937.db2.gz BDWUCZZGTXGUQN-KURKYZTESA-N 2 2 432.587 -1.453 20 0 IAADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)C1 ZINC000533516054 1067796008 /nfs/dbraw/zinc/79/60/08/1067796008.db2.gz BDWUCZZGTXGUQN-KZNAEPCWSA-N 2 2 432.587 -1.453 20 0 IAADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)C1 ZINC000533516054 1067796001 /nfs/dbraw/zinc/79/60/01/1067796001.db2.gz BDWUCZZGTXGUQN-KZNAEPCWSA-N 2 2 432.587 -1.453 20 0 IAADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH2+][C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)C1 ZINC000533516056 1067796045 /nfs/dbraw/zinc/79/60/45/1067796045.db2.gz BDWUCZZGTXGUQN-SQNIBIBYSA-N 2 2 432.587 -1.453 20 0 IAADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)C1 ZINC000533516056 1067796036 /nfs/dbraw/zinc/79/60/36/1067796036.db2.gz BDWUCZZGTXGUQN-SQNIBIBYSA-N 2 2 432.587 -1.453 20 0 IAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000550374396 1067744838 /nfs/dbraw/zinc/74/48/38/1067744838.db2.gz NHLFEJIHTRAZGF-GOSISDBHSA-N 2 2 449.556 -1.744 20 0 IAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000550374787 1067744773 /nfs/dbraw/zinc/74/47/73/1067744773.db2.gz NHLFEJIHTRAZGF-SFHVURJKSA-N 2 2 449.556 -1.744 20 0 IAADLP CCC[NH+]1CCC(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000550495408 1067762915 /nfs/dbraw/zinc/76/29/15/1067762915.db2.gz SJISCPBMNZTHCP-UHFFFAOYSA-N 2 2 444.602 -1.387 20 0 IAADLP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)cn2)CC1 ZINC000550613795 1067799432 /nfs/dbraw/zinc/79/94/32/1067799432.db2.gz JHIRRWXFBJDKAI-IBGZPJMESA-N 2 2 448.568 -1.009 20 0 IAADLP CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)cn2)CC1 ZINC000550613796 1067799519 /nfs/dbraw/zinc/79/95/19/1067799519.db2.gz JHIRRWXFBJDKAI-LJQANCHMSA-N 2 2 448.568 -1.009 20 0 IAADLP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000550654739 1067800381 /nfs/dbraw/zinc/80/03/81/1067800381.db2.gz ZMHKRMZHJXTGPZ-KRWDZBQOSA-N 2 2 444.602 -1.529 20 0 IAADLP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000550654739 1067800373 /nfs/dbraw/zinc/80/03/73/1067800373.db2.gz ZMHKRMZHJXTGPZ-KRWDZBQOSA-N 2 2 444.602 -1.529 20 0 IAADLP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000550654784 1067800292 /nfs/dbraw/zinc/80/02/92/1067800292.db2.gz ZMHKRMZHJXTGPZ-QGZVFWFLSA-N 2 2 444.602 -1.529 20 0 IAADLP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000550654784 1067800277 /nfs/dbraw/zinc/80/02/77/1067800277.db2.gz ZMHKRMZHJXTGPZ-QGZVFWFLSA-N 2 2 444.602 -1.529 20 0 IAADLP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000550674559 1067800826 /nfs/dbraw/zinc/80/08/26/1067800826.db2.gz MGWUUWZIEGYYIC-UHFFFAOYSA-N 3 2 445.568 -1.010 20 0 IAADLP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000550681878 1067801399 /nfs/dbraw/zinc/80/13/99/1067801399.db2.gz VSMNWGQSBFGRGJ-UHFFFAOYSA-N 2 2 431.541 -1.270 20 0 IAADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000550690004 1067801244 /nfs/dbraw/zinc/80/12/44/1067801244.db2.gz ZMEUIGCFLWOLBJ-KRWDZBQOSA-N 2 2 444.602 -1.387 20 0 IAADLP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000550690005 1067801437 /nfs/dbraw/zinc/80/14/37/1067801437.db2.gz ZMEUIGCFLWOLBJ-QGZVFWFLSA-N 2 2 444.602 -1.387 20 0 IAADLP CN(CC[NH+](C)C)C(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000550799248 1067803380 /nfs/dbraw/zinc/80/33/80/1067803380.db2.gz CSRWVHKHEXPNJZ-UHFFFAOYSA-N 2 2 426.543 -1.330 20 0 IAADLP C[N@@H+](CCNC(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000551165003 1067808002 /nfs/dbraw/zinc/80/80/02/1067808002.db2.gz NRWDAIZTKGHEBP-UHFFFAOYSA-N 2 2 438.554 -1.140 20 0 IAADLP C[N@H+](CCNC(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000551165003 1067807992 /nfs/dbraw/zinc/80/79/92/1067807992.db2.gz NRWDAIZTKGHEBP-UHFFFAOYSA-N 2 2 438.554 -1.140 20 0 IAADLP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000552906710 1067826772 /nfs/dbraw/zinc/82/67/72/1067826772.db2.gz RQDXFLROICQMFR-UHFFFAOYSA-N 2 2 432.591 -1.529 20 0 IAADLP CCCC[N@H+](C)CCNC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000552906710 1067826761 /nfs/dbraw/zinc/82/67/61/1067826761.db2.gz RQDXFLROICQMFR-UHFFFAOYSA-N 2 2 432.591 -1.529 20 0 IAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000552928821 1067827034 /nfs/dbraw/zinc/82/70/34/1067827034.db2.gz PPNSJRWCJMWICA-FQEVSTJZSA-N 3 2 448.568 -1.139 20 0 IAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000552928822 1067827111 /nfs/dbraw/zinc/82/71/11/1067827111.db2.gz PPNSJRWCJMWICA-HXUWFJFHSA-N 3 2 448.568 -1.139 20 0 IAADLP CC[N@@H+](CCNC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C1CC1 ZINC000553096713 1067829515 /nfs/dbraw/zinc/82/95/15/1067829515.db2.gz AETWSCXPBLVSKF-UHFFFAOYSA-N 2 2 430.575 -1.777 20 0 IAADLP CC[N@H+](CCNC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C1CC1 ZINC000553096713 1067829498 /nfs/dbraw/zinc/82/94/98/1067829498.db2.gz AETWSCXPBLVSKF-UHFFFAOYSA-N 2 2 430.575 -1.777 20 0 IAADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000553149622 1067829685 /nfs/dbraw/zinc/82/96/85/1067829685.db2.gz IWLNEYNGBOKNRF-DLBZAZTESA-N 2 2 427.546 -1.803 20 0 IAADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000553149622 1067829675 /nfs/dbraw/zinc/82/96/75/1067829675.db2.gz IWLNEYNGBOKNRF-DLBZAZTESA-N 2 2 427.546 -1.803 20 0 IAADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000553149623 1067829420 /nfs/dbraw/zinc/82/94/20/1067829420.db2.gz IWLNEYNGBOKNRF-IAGOWNOFSA-N 2 2 427.546 -1.803 20 0 IAADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000553149623 1067829415 /nfs/dbraw/zinc/82/94/15/1067829415.db2.gz IWLNEYNGBOKNRF-IAGOWNOFSA-N 2 2 427.546 -1.803 20 0 IAADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000553149624 1067829345 /nfs/dbraw/zinc/82/93/45/1067829345.db2.gz IWLNEYNGBOKNRF-IRXDYDNUSA-N 2 2 427.546 -1.803 20 0 IAADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000553149624 1067829337 /nfs/dbraw/zinc/82/93/37/1067829337.db2.gz IWLNEYNGBOKNRF-IRXDYDNUSA-N 2 2 427.546 -1.803 20 0 IAADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000553149625 1067829773 /nfs/dbraw/zinc/82/97/73/1067829773.db2.gz IWLNEYNGBOKNRF-SJORKVTESA-N 2 2 427.546 -1.803 20 0 IAADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000553149625 1067829765 /nfs/dbraw/zinc/82/97/65/1067829765.db2.gz IWLNEYNGBOKNRF-SJORKVTESA-N 2 2 427.546 -1.803 20 0 IAADLP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000553351212 1067833054 /nfs/dbraw/zinc/83/30/54/1067833054.db2.gz DTEFIEWGCUZMOX-KRWDZBQOSA-N 2 2 444.602 -1.387 20 0 IAADLP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000553351212 1067833041 /nfs/dbraw/zinc/83/30/41/1067833041.db2.gz DTEFIEWGCUZMOX-KRWDZBQOSA-N 2 2 444.602 -1.387 20 0 IAADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000553351213 1067832683 /nfs/dbraw/zinc/83/26/83/1067832683.db2.gz DTEFIEWGCUZMOX-QGZVFWFLSA-N 2 2 444.602 -1.387 20 0 IAADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000553351213 1067832665 /nfs/dbraw/zinc/83/26/65/1067832665.db2.gz DTEFIEWGCUZMOX-QGZVFWFLSA-N 2 2 444.602 -1.387 20 0 IAADLP C[C@@H](CNC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)[N@@H+](C)C1CC1 ZINC000553370357 1067832784 /nfs/dbraw/zinc/83/27/84/1067832784.db2.gz SPNNKZNEQDYJJW-HNNXBMFYSA-N 2 2 430.575 -1.778 20 0 IAADLP C[C@@H](CNC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)[N@H+](C)C1CC1 ZINC000553370357 1067832769 /nfs/dbraw/zinc/83/27/69/1067832769.db2.gz SPNNKZNEQDYJJW-HNNXBMFYSA-N 2 2 430.575 -1.778 20 0 IAADLP C[C@H](CNC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)[N@@H+](C)C1CC1 ZINC000553370358 1067833196 /nfs/dbraw/zinc/83/31/96/1067833196.db2.gz SPNNKZNEQDYJJW-OAHLLOKOSA-N 2 2 430.575 -1.778 20 0 IAADLP C[C@H](CNC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)[N@H+](C)C1CC1 ZINC000553370358 1067833185 /nfs/dbraw/zinc/83/31/85/1067833185.db2.gz SPNNKZNEQDYJJW-OAHLLOKOSA-N 2 2 430.575 -1.778 20 0 IAADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)[C@@H](C)C1 ZINC000554122458 1067838265 /nfs/dbraw/zinc/83/82/65/1067838265.db2.gz GWWLOECPQSPQIL-HNNXBMFYSA-N 2 2 425.530 -1.249 20 0 IAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)[C@@H](C)C1 ZINC000554122458 1067838263 /nfs/dbraw/zinc/83/82/63/1067838263.db2.gz GWWLOECPQSPQIL-HNNXBMFYSA-N 2 2 425.530 -1.249 20 0 IAADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)[C@H](C)C1 ZINC000554122459 1067838222 /nfs/dbraw/zinc/83/82/22/1067838222.db2.gz GWWLOECPQSPQIL-OAHLLOKOSA-N 2 2 425.530 -1.249 20 0 IAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)[C@H](C)C1 ZINC000554122459 1067838216 /nfs/dbraw/zinc/83/82/16/1067838216.db2.gz GWWLOECPQSPQIL-OAHLLOKOSA-N 2 2 425.530 -1.249 20 0 IAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000555866092 1067849162 /nfs/dbraw/zinc/84/91/62/1067849162.db2.gz DTHZRKPNSUXZJI-GOSISDBHSA-N 2 2 434.541 -1.399 20 0 IAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000555866095 1067849260 /nfs/dbraw/zinc/84/92/60/1067849260.db2.gz DTHZRKPNSUXZJI-SFHVURJKSA-N 2 2 434.541 -1.399 20 0 IAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000555997007 1067851076 /nfs/dbraw/zinc/85/10/76/1067851076.db2.gz HMQXXETVNMFGKV-GOSISDBHSA-N 2 2 434.541 -1.399 20 0 IAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000555997008 1067851381 /nfs/dbraw/zinc/85/13/81/1067851381.db2.gz HMQXXETVNMFGKV-SFHVURJKSA-N 2 2 434.541 -1.399 20 0 IAADLP CC1CC[NH+](CCNC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000556064056 1067929494 /nfs/dbraw/zinc/92/94/94/1067929494.db2.gz VKQQQOZHYMHOSP-UHFFFAOYSA-N 2 2 444.602 -1.529 20 0 IAADLP Cc1[nH+]ccn1CCCNC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000556071307 1067929936 /nfs/dbraw/zinc/92/99/36/1067929936.db2.gz REPZSLAUNBZPJA-UHFFFAOYSA-N 2 2 441.558 -1.666 20 0 IAADLP C[C@@H](CNC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C[NH+]1CCCC1 ZINC000556356630 1067625382 /nfs/dbraw/zinc/62/53/82/1067625382.db2.gz NEBWMKVBRYVSSM-KRWDZBQOSA-N 2 2 444.602 -1.529 20 0 IAADLP C[C@H](CNC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C[NH+]1CCCC1 ZINC000556356631 1067932798 /nfs/dbraw/zinc/93/27/98/1067932798.db2.gz NEBWMKVBRYVSSM-QGZVFWFLSA-N 2 2 444.602 -1.529 20 0 IAADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)[C@H](C)C1 ZINC000557255464 1068184696 /nfs/dbraw/zinc/18/46/96/1068184696.db2.gz NIWJPGXUBPBSJD-CVEARBPZSA-N 2 2 425.530 -1.214 20 0 IAADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)[C@H](C)C1 ZINC000557255464 1068184691 /nfs/dbraw/zinc/18/46/91/1068184691.db2.gz NIWJPGXUBPBSJD-CVEARBPZSA-N 2 2 425.530 -1.214 20 0 IAADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)[C@H](C)C1 ZINC000557255464 1068184688 /nfs/dbraw/zinc/18/46/88/1068184688.db2.gz NIWJPGXUBPBSJD-CVEARBPZSA-N 2 2 425.530 -1.214 20 0 IAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)[C@H](C)C1 ZINC000557255464 1068184685 /nfs/dbraw/zinc/18/46/85/1068184685.db2.gz NIWJPGXUBPBSJD-CVEARBPZSA-N 2 2 425.530 -1.214 20 0 IAADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)[C@@H](C)C1 ZINC000557255476 1067627285 /nfs/dbraw/zinc/62/72/85/1067627285.db2.gz NIWJPGXUBPBSJD-HOTGVXAUSA-N 2 2 425.530 -1.214 20 0 IAADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)[C@@H](C)C1 ZINC000557255476 1067627283 /nfs/dbraw/zinc/62/72/83/1067627283.db2.gz NIWJPGXUBPBSJD-HOTGVXAUSA-N 2 2 425.530 -1.214 20 0 IAADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)[C@@H](C)C1 ZINC000557255476 1067627279 /nfs/dbraw/zinc/62/72/79/1067627279.db2.gz NIWJPGXUBPBSJD-HOTGVXAUSA-N 2 2 425.530 -1.214 20 0 IAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)[C@@H](C)C1 ZINC000557255476 1067627277 /nfs/dbraw/zinc/62/72/77/1067627277.db2.gz NIWJPGXUBPBSJD-HOTGVXAUSA-N 2 2 425.530 -1.214 20 0 IAADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)[C@H](C)C1 ZINC000557255533 1068184453 /nfs/dbraw/zinc/18/44/53/1068184453.db2.gz NIWJPGXUBPBSJD-HZPDHXFCSA-N 2 2 425.530 -1.214 20 0 IAADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)[C@H](C)C1 ZINC000557255533 1068184448 /nfs/dbraw/zinc/18/44/48/1068184448.db2.gz NIWJPGXUBPBSJD-HZPDHXFCSA-N 2 2 425.530 -1.214 20 0 IAADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)[C@H](C)C1 ZINC000557255533 1068184435 /nfs/dbraw/zinc/18/44/35/1068184435.db2.gz NIWJPGXUBPBSJD-HZPDHXFCSA-N 2 2 425.530 -1.214 20 0 IAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)[C@H](C)C1 ZINC000557255533 1068184432 /nfs/dbraw/zinc/18/44/32/1068184432.db2.gz NIWJPGXUBPBSJD-HZPDHXFCSA-N 2 2 425.530 -1.214 20 0 IAADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)[C@@H](C)C1 ZINC000557255535 1068184746 /nfs/dbraw/zinc/18/47/46/1068184746.db2.gz NIWJPGXUBPBSJD-JKSUJKDBSA-N 2 2 425.530 -1.214 20 0 IAADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)[C@@H](C)C1 ZINC000557255535 1068184742 /nfs/dbraw/zinc/18/47/42/1068184742.db2.gz NIWJPGXUBPBSJD-JKSUJKDBSA-N 2 2 425.530 -1.214 20 0 IAADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)[C@@H](C)C1 ZINC000557255535 1068184738 /nfs/dbraw/zinc/18/47/38/1068184738.db2.gz NIWJPGXUBPBSJD-JKSUJKDBSA-N 2 2 425.530 -1.214 20 0 IAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)[C@@H](C)C1 ZINC000557255535 1068184734 /nfs/dbraw/zinc/18/47/34/1068184734.db2.gz NIWJPGXUBPBSJD-JKSUJKDBSA-N 2 2 425.530 -1.214 20 0 IAADLP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000557381501 1068187645 /nfs/dbraw/zinc/18/76/45/1068187645.db2.gz KMSUUJFMDUIRQJ-INIZCTEOSA-N 2 2 432.591 -1.531 20 0 IAADLP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000557381501 1068187643 /nfs/dbraw/zinc/18/76/43/1068187643.db2.gz KMSUUJFMDUIRQJ-INIZCTEOSA-N 2 2 432.591 -1.531 20 0 IAADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000557381503 1068187285 /nfs/dbraw/zinc/18/72/85/1068187285.db2.gz KMSUUJFMDUIRQJ-MRXNPFEDSA-N 2 2 432.591 -1.531 20 0 IAADLP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000557381503 1068187281 /nfs/dbraw/zinc/18/72/81/1068187281.db2.gz KMSUUJFMDUIRQJ-MRXNPFEDSA-N 2 2 432.591 -1.531 20 0 IAADLP COc1cnc(N2CCN(C(=O)C[NH+](C)C)CC2)nc1N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000557519131 1068188904 /nfs/dbraw/zinc/18/89/04/1068188904.db2.gz BADAINZRDGWTFS-UHFFFAOYSA-N 2 2 448.572 -1.094 20 0 IAADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000557773466 1068190888 /nfs/dbraw/zinc/19/08/88/1068190888.db2.gz IGMITOBVNLAGDA-UHFFFAOYSA-N 2 2 449.643 -1.034 20 0 IAADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000557773466 1068190883 /nfs/dbraw/zinc/19/08/83/1068190883.db2.gz IGMITOBVNLAGDA-UHFFFAOYSA-N 2 2 449.643 -1.034 20 0 IAADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC[N@H+]1C ZINC000558207897 1068194037 /nfs/dbraw/zinc/19/40/37/1068194037.db2.gz HLUPUJHWRHAMOO-CVEARBPZSA-N 2 2 430.575 -1.778 20 0 IAADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC[N@@H+]1C ZINC000558207897 1068194033 /nfs/dbraw/zinc/19/40/33/1068194033.db2.gz HLUPUJHWRHAMOO-CVEARBPZSA-N 2 2 430.575 -1.778 20 0 IAADLP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC[N@H+]1C ZINC000558207898 1068193990 /nfs/dbraw/zinc/19/39/90/1068193990.db2.gz HLUPUJHWRHAMOO-HOTGVXAUSA-N 2 2 430.575 -1.778 20 0 IAADLP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC[N@@H+]1C ZINC000558207898 1068193985 /nfs/dbraw/zinc/19/39/85/1068193985.db2.gz HLUPUJHWRHAMOO-HOTGVXAUSA-N 2 2 430.575 -1.778 20 0 IAADLP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC[N@H+]1C ZINC000558207899 1068194074 /nfs/dbraw/zinc/19/40/74/1068194074.db2.gz HLUPUJHWRHAMOO-HZPDHXFCSA-N 2 2 430.575 -1.778 20 0 IAADLP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC[N@@H+]1C ZINC000558207899 1068194070 /nfs/dbraw/zinc/19/40/70/1068194070.db2.gz HLUPUJHWRHAMOO-HZPDHXFCSA-N 2 2 430.575 -1.778 20 0 IAADLP C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC[N@H+]1C ZINC000558207900 1068194092 /nfs/dbraw/zinc/19/40/92/1068194092.db2.gz HLUPUJHWRHAMOO-JKSUJKDBSA-N 2 2 430.575 -1.778 20 0 IAADLP C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC[N@@H+]1C ZINC000558207900 1068194090 /nfs/dbraw/zinc/19/40/90/1068194090.db2.gz HLUPUJHWRHAMOO-JKSUJKDBSA-N 2 2 430.575 -1.778 20 0 IAADLP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000558452839 1068195968 /nfs/dbraw/zinc/19/59/68/1068195968.db2.gz SKJTXODQCIYFBH-MRXNPFEDSA-N 2 2 432.591 -1.531 20 0 IAADLP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000559608914 1068199452 /nfs/dbraw/zinc/19/94/52/1068199452.db2.gz SWOLBOFNZMCMRD-UHFFFAOYSA-N 2 2 446.556 -1.615 20 0 IAADLP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NCc2cccnc2N2CC[NH+](C)CC2)CC1 ZINC000559771996 1068201637 /nfs/dbraw/zinc/20/16/37/1068201637.db2.gz BZDOKAQSCAWZNB-UHFFFAOYSA-N 2 2 431.541 -1.270 20 0 IAADLP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000559925122 1068204154 /nfs/dbraw/zinc/20/41/54/1068204154.db2.gz KENWBTNSOKTKLE-UHFFFAOYSA-N 2 2 448.590 -2.293 20 0 IAADLP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000559925122 1068204143 /nfs/dbraw/zinc/20/41/43/1068204143.db2.gz KENWBTNSOKTKLE-UHFFFAOYSA-N 2 2 448.590 -2.293 20 0 IAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000560754691 1068206812 /nfs/dbraw/zinc/20/68/12/1068206812.db2.gz MILVCYLKQABXOM-GOSISDBHSA-N 2 2 434.541 -1.399 20 0 IAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000560754694 1068206930 /nfs/dbraw/zinc/20/69/30/1068206930.db2.gz MILVCYLKQABXOM-SFHVURJKSA-N 2 2 434.541 -1.399 20 0 IAADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N3CCN(C(=O)C(=O)NC4CC4)CC3)CC2)CC1 ZINC000560874404 1068206959 /nfs/dbraw/zinc/20/69/59/1068206959.db2.gz KLIRKYWMYRBRQG-UHFFFAOYSA-N 2 2 448.568 -1.389 20 0 IAADLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000561353213 1068210370 /nfs/dbraw/zinc/21/03/70/1068210370.db2.gz CQAOUWFVFUCTJD-GOSISDBHSA-N 2 2 427.590 -1.204 20 0 IAADLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000561353213 1068210361 /nfs/dbraw/zinc/21/03/61/1068210361.db2.gz CQAOUWFVFUCTJD-GOSISDBHSA-N 2 2 427.590 -1.204 20 0 IAADLP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000561353214 1067645061 /nfs/dbraw/zinc/64/50/61/1067645061.db2.gz CQAOUWFVFUCTJD-SFHVURJKSA-N 2 2 427.590 -1.204 20 0 IAADLP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000561353214 1067645057 /nfs/dbraw/zinc/64/50/57/1067645057.db2.gz CQAOUWFVFUCTJD-SFHVURJKSA-N 2 2 427.590 -1.204 20 0 IAADLP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000561441867 1068211371 /nfs/dbraw/zinc/21/13/71/1068211371.db2.gz YNJYTNRBYGRZTL-INIZCTEOSA-N 2 2 446.574 -2.540 20 0 IAADLP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000561441867 1068211365 /nfs/dbraw/zinc/21/13/65/1068211365.db2.gz YNJYTNRBYGRZTL-INIZCTEOSA-N 2 2 446.574 -2.540 20 0 IAADLP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000561441870 1068211329 /nfs/dbraw/zinc/21/13/29/1068211329.db2.gz YNJYTNRBYGRZTL-MRXNPFEDSA-N 2 2 446.574 -2.540 20 0 IAADLP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000561441870 1068211323 /nfs/dbraw/zinc/21/13/23/1068211323.db2.gz YNJYTNRBYGRZTL-MRXNPFEDSA-N 2 2 446.574 -2.540 20 0 IAADLP C[C@@H]1CN(C(=O)C(=O)NCCCC[NH+]2CCN(CCO)CC2)CC[N@H+]1CC(C)(C)O ZINC000565733346 1068225720 /nfs/dbraw/zinc/22/57/20/1068225720.db2.gz IVFBALYBQTWFJC-GOSISDBHSA-N 2 2 427.590 -1.204 20 0 IAADLP C[C@@H]1CN(C(=O)C(=O)NCCCC[NH+]2CCN(CCO)CC2)CC[N@@H+]1CC(C)(C)O ZINC000565733346 1068225706 /nfs/dbraw/zinc/22/57/06/1068225706.db2.gz IVFBALYBQTWFJC-GOSISDBHSA-N 2 2 427.590 -1.204 20 0 IAADLP C[C@H]1CN(C(=O)C(=O)NCCCC[NH+]2CCN(CCO)CC2)CC[N@H+]1CC(C)(C)O ZINC000565733352 1068225642 /nfs/dbraw/zinc/22/56/42/1068225642.db2.gz IVFBALYBQTWFJC-SFHVURJKSA-N 2 2 427.590 -1.204 20 0 IAADLP C[C@H]1CN(C(=O)C(=O)NCCCC[NH+]2CCN(CCO)CC2)CC[N@@H+]1CC(C)(C)O ZINC000565733352 1068225618 /nfs/dbraw/zinc/22/56/18/1068225618.db2.gz IVFBALYBQTWFJC-SFHVURJKSA-N 2 2 427.590 -1.204 20 0 IAADLP CC[NH+]1CCN(C(=O)CNC(=O)COCC(=O)NCC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000565803436 1068226535 /nfs/dbraw/zinc/22/65/35/1068226535.db2.gz VWPLSWVTMQOJRV-UHFFFAOYSA-N 2 2 440.545 -2.436 20 0 IAADLP C[C@H](NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C1=CC[N@@H+](C)CC1 ZINC000566588714 1068227912 /nfs/dbraw/zinc/22/79/12/1068227912.db2.gz UFVPOFMCKMVFFA-INIZCTEOSA-N 2 2 442.586 -1.611 20 0 IAADLP C[C@H](NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C1=CC[N@H+](C)CC1 ZINC000566588714 1068227901 /nfs/dbraw/zinc/22/79/01/1068227901.db2.gz UFVPOFMCKMVFFA-INIZCTEOSA-N 2 2 442.586 -1.611 20 0 IAADLP C[C@@H](NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C1=CC[N@@H+](C)CC1 ZINC000566588715 1068227707 /nfs/dbraw/zinc/22/77/07/1068227707.db2.gz UFVPOFMCKMVFFA-MRXNPFEDSA-N 2 2 442.586 -1.611 20 0 IAADLP C[C@@H](NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C1=CC[N@H+](C)CC1 ZINC000566588715 1068227694 /nfs/dbraw/zinc/22/76/94/1068227694.db2.gz UFVPOFMCKMVFFA-MRXNPFEDSA-N 2 2 442.586 -1.611 20 0 IAADLP C[NH+](C)CCOCCNC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000567016919 1068228897 /nfs/dbraw/zinc/22/88/97/1068228897.db2.gz LXPHEOMWIIHLLZ-UHFFFAOYSA-N 2 2 434.563 -2.683 20 0 IAADLP CC(C)[NH+](CCNC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C(C)C ZINC000568607005 1068233783 /nfs/dbraw/zinc/23/37/83/1068233783.db2.gz GCBNUUKYJXYMJC-UHFFFAOYSA-N 2 2 446.618 -1.142 20 0 IAADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000570835222 1068239670 /nfs/dbraw/zinc/23/96/70/1068239670.db2.gz ZTEATZUVPWURQS-KRWDZBQOSA-N 2 2 438.573 -1.332 20 0 IAADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000570835222 1068239658 /nfs/dbraw/zinc/23/96/58/1068239658.db2.gz ZTEATZUVPWURQS-KRWDZBQOSA-N 2 2 438.573 -1.332 20 0 IAADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000570835224 1068239876 /nfs/dbraw/zinc/23/98/76/1068239876.db2.gz ZTEATZUVPWURQS-QGZVFWFLSA-N 2 2 438.573 -1.332 20 0 IAADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000570835224 1068239866 /nfs/dbraw/zinc/23/98/66/1068239866.db2.gz ZTEATZUVPWURQS-QGZVFWFLSA-N 2 2 438.573 -1.332 20 0 IAADLP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000571065680 1067871957 /nfs/dbraw/zinc/87/19/57/1067871957.db2.gz GSSOIWQXZOYHIK-UHFFFAOYSA-N 2 2 431.541 -1.270 20 0 IAADLP CCN1CCN(CC(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)C(=O)C1=O ZINC000571589114 1068241044 /nfs/dbraw/zinc/24/10/44/1068241044.db2.gz WMDOVYDIOMFZNS-UHFFFAOYSA-N 2 2 436.557 -1.626 20 0 IAADLP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000572396550 1068242318 /nfs/dbraw/zinc/24/23/18/1068242318.db2.gz XKTAITYSLSWUAH-UHFFFAOYSA-N 2 2 432.591 -1.529 20 0 IAADLP CCC[N@H+](CC)CCNC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000572396550 1068242308 /nfs/dbraw/zinc/24/23/08/1068242308.db2.gz XKTAITYSLSWUAH-UHFFFAOYSA-N 2 2 432.591 -1.529 20 0 IAADLP C[NH+]1CCC(NC(=O)C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000573509239 1067879526 /nfs/dbraw/zinc/87/95/26/1067879526.db2.gz KDDDEJUSPVKOEG-UHFFFAOYSA-N 2 2 438.554 -1.140 20 0 IAADLP O=C(CN(CC(=O)N1CC[NH+](CCO)CC1)Cc1ccccc1)N1CC[NH+](CCO)CC1 ZINC000575163672 1067883475 /nfs/dbraw/zinc/88/34/75/1067883475.db2.gz HBPQKDCNKZDJEJ-UHFFFAOYSA-N 2 2 447.580 -1.238 20 0 IAADLP C[NH+](C)CCOCCNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000575366070 1068247501 /nfs/dbraw/zinc/24/75/01/1068247501.db2.gz JHFCNYNELQKQCE-UHFFFAOYSA-N 2 2 435.529 -1.344 20 0 IAADLP C[NH+](C)CCOCCNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000575366070 1068247494 /nfs/dbraw/zinc/24/74/94/1068247494.db2.gz JHFCNYNELQKQCE-UHFFFAOYSA-N 2 2 435.529 -1.344 20 0 IAADLP CC[NH+]1CCC(CNC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000576247798 1068249269 /nfs/dbraw/zinc/24/92/69/1068249269.db2.gz ZVTMOKRGLCJRSN-UHFFFAOYSA-N 2 2 444.602 -1.529 20 0 IAADLP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C[N@H+]1C1CC1 ZINC000578817094 1068259022 /nfs/dbraw/zinc/25/90/22/1068259022.db2.gz YJWXWWYJVLHZNV-CVEARBPZSA-N 2 2 442.586 -1.636 20 0 IAADLP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C[N@@H+]1C1CC1 ZINC000578817094 1068259011 /nfs/dbraw/zinc/25/90/11/1068259011.db2.gz YJWXWWYJVLHZNV-CVEARBPZSA-N 2 2 442.586 -1.636 20 0 IAADLP C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C[N@H+]1C1CC1 ZINC000578817095 1068259135 /nfs/dbraw/zinc/25/91/35/1068259135.db2.gz YJWXWWYJVLHZNV-HOTGVXAUSA-N 2 2 442.586 -1.636 20 0 IAADLP C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C[N@@H+]1C1CC1 ZINC000578817095 1068259128 /nfs/dbraw/zinc/25/91/28/1068259128.db2.gz YJWXWWYJVLHZNV-HOTGVXAUSA-N 2 2 442.586 -1.636 20 0 IAADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C[N@H+]1C1CC1 ZINC000578817096 1068259089 /nfs/dbraw/zinc/25/90/89/1068259089.db2.gz YJWXWWYJVLHZNV-HZPDHXFCSA-N 2 2 442.586 -1.636 20 0 IAADLP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C[N@@H+]1C1CC1 ZINC000578817096 1068259082 /nfs/dbraw/zinc/25/90/82/1068259082.db2.gz YJWXWWYJVLHZNV-HZPDHXFCSA-N 2 2 442.586 -1.636 20 0 IAADLP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C[N@H+]1C1CC1 ZINC000578817097 1068258877 /nfs/dbraw/zinc/25/88/77/1068258877.db2.gz YJWXWWYJVLHZNV-JKSUJKDBSA-N 2 2 442.586 -1.636 20 0 IAADLP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C[N@@H+]1C1CC1 ZINC000578817097 1068258862 /nfs/dbraw/zinc/25/88/62/1068258862.db2.gz YJWXWWYJVLHZNV-JKSUJKDBSA-N 2 2 442.586 -1.636 20 0 IAADLP O=C(CNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)NCC[NH+]1CCCCCC1 ZINC000583887393 1067650914 /nfs/dbraw/zinc/65/09/14/1067650914.db2.gz JFDYFTINXJJGMZ-UHFFFAOYSA-N 2 2 449.556 -0.738 20 0 IAADLP C[NH+]1CCC(CCNC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000583951340 1067651385 /nfs/dbraw/zinc/65/13/85/1067651385.db2.gz WLHIBHGFBZWSEW-UHFFFAOYSA-N 2 2 444.602 -1.529 20 0 IAADLP CN1CC[NH+](CCCCNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000590954148 1067877469 /nfs/dbraw/zinc/87/74/69/1067877469.db2.gz VJONDSXEHBBVCQ-UHFFFAOYSA-N 2 2 445.634 -1.167 20 0 IAADLP CN(C(=O)C1CCN(S(N)(=O)=O)CC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000592087027 1067880436 /nfs/dbraw/zinc/88/04/36/1067880436.db2.gz WXNSKEWFWYDMFI-UHFFFAOYSA-N 2 2 444.602 -1.401 20 0 IAADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCN(C(=O)C(=O)N4CCOCC4)CC3)C2)CC1 ZINC000604207449 1067886340 /nfs/dbraw/zinc/88/63/40/1067886340.db2.gz FMVNQJPBVCATMX-KRWDZBQOSA-N 2 2 436.557 -1.133 20 0 IAADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCN(C(=O)C(=O)N4CCOCC4)CC3)C2)CC1 ZINC000604207449 1067886329 /nfs/dbraw/zinc/88/63/29/1067886329.db2.gz FMVNQJPBVCATMX-KRWDZBQOSA-N 2 2 436.557 -1.133 20 0 IAADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCN(C(=O)C(=O)N4CCOCC4)CC3)C2)CC1 ZINC000604207452 1067886731 /nfs/dbraw/zinc/88/67/31/1067886731.db2.gz FMVNQJPBVCATMX-QGZVFWFLSA-N 2 2 436.557 -1.133 20 0 IAADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCN(C(=O)C(=O)N4CCOCC4)CC3)C2)CC1 ZINC000604207452 1067886721 /nfs/dbraw/zinc/88/67/21/1067886721.db2.gz FMVNQJPBVCATMX-QGZVFWFLSA-N 2 2 436.557 -1.133 20 0 IAADLP CC(=O)NCCNC(=O)CCC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000605304590 1067887897 /nfs/dbraw/zinc/88/78/97/1067887897.db2.gz CXXSJTJHMMGECX-UHFFFAOYSA-N 2 2 438.573 -1.284 20 0 IAADLP C[C@@H](CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C[NH+]1CCOCC1 ZINC000606718582 1067891181 /nfs/dbraw/zinc/89/11/81/1067891181.db2.gz MJBPTYJVIKVACH-KRWDZBQOSA-N 2 2 432.591 -1.226 20 0 IAADLP C[C@H](CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C[NH+]1CCOCC1 ZINC000606718761 1067891089 /nfs/dbraw/zinc/89/10/89/1067891089.db2.gz MJBPTYJVIKVACH-QGZVFWFLSA-N 2 2 432.591 -1.226 20 0 IAADLP CN(C)S(=O)(=O)N1CC[NH+](CCCC[NH+]2CCN(S(=O)(=O)N(C)C)CC2)CC1 ZINC000607150702 1067891382 /nfs/dbraw/zinc/89/13/82/1067891382.db2.gz FWMOYCZDBJKWSY-UHFFFAOYSA-N 2 2 440.636 -1.385 20 0 IAADLP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cn1 ZINC000607679390 1067892223 /nfs/dbraw/zinc/89/22/23/1067892223.db2.gz LZQSPIAYEWTNEM-INIZCTEOSA-N 2 2 435.529 -1.320 20 0 IAADLP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cn1 ZINC000607679391 1067892016 /nfs/dbraw/zinc/89/20/16/1067892016.db2.gz LZQSPIAYEWTNEM-MRXNPFEDSA-N 2 2 435.529 -1.320 20 0 IAADLP CC(C)[NH+]1CCC(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000670545126 1067933506 /nfs/dbraw/zinc/93/35/06/1067933506.db2.gz CQDAYFYIYJIGHQ-UHFFFAOYSA-N 2 2 444.602 -1.388 20 0 IAADLP C[N@H+]1CCC[C@H](NC(=O)C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000671060116 1067949243 /nfs/dbraw/zinc/94/92/43/1067949243.db2.gz ZKBJISZIUGGBMI-INIZCTEOSA-N 2 2 438.554 -1.140 20 0 IAADLP C[N@@H+]1CCC[C@H](NC(=O)C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000671060116 1067949236 /nfs/dbraw/zinc/94/92/36/1067949236.db2.gz ZKBJISZIUGGBMI-INIZCTEOSA-N 2 2 438.554 -1.140 20 0 IAADLP C[N@H+]1CCC[C@@H](NC(=O)C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000671060117 1067949135 /nfs/dbraw/zinc/94/91/35/1067949135.db2.gz ZKBJISZIUGGBMI-MRXNPFEDSA-N 2 2 438.554 -1.140 20 0 IAADLP C[N@@H+]1CCC[C@@H](NC(=O)C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000671060117 1067949131 /nfs/dbraw/zinc/94/91/31/1067949131.db2.gz ZKBJISZIUGGBMI-MRXNPFEDSA-N 2 2 438.554 -1.140 20 0 IAADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCCN3CCN(S(C)(=O)=O)CC3)C2)CC1 ZINC000671357445 1067952763 /nfs/dbraw/zinc/95/27/63/1067952763.db2.gz ZROYDBCXSAWIBS-INIZCTEOSA-N 2 2 444.602 -2.036 20 0 IAADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCCN3CCN(S(C)(=O)=O)CC3)C2)CC1 ZINC000671357445 1067952757 /nfs/dbraw/zinc/95/27/57/1067952757.db2.gz ZROYDBCXSAWIBS-INIZCTEOSA-N 2 2 444.602 -2.036 20 0 IAADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCCN3CCN(S(C)(=O)=O)CC3)C2)CC1 ZINC000671357446 1067952811 /nfs/dbraw/zinc/95/28/11/1067952811.db2.gz ZROYDBCXSAWIBS-MRXNPFEDSA-N 2 2 444.602 -2.036 20 0 IAADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCCN3CCN(S(C)(=O)=O)CC3)C2)CC1 ZINC000671357446 1067952807 /nfs/dbraw/zinc/95/28/07/1067952807.db2.gz ZROYDBCXSAWIBS-MRXNPFEDSA-N 2 2 444.602 -2.036 20 0 IAADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000671359659 1067954527 /nfs/dbraw/zinc/95/45/27/1067954527.db2.gz XDHXTXCZDYDKTP-UHFFFAOYSA-N 2 2 446.618 -1.836 20 0 IAADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000671359659 1067954523 /nfs/dbraw/zinc/95/45/23/1067954523.db2.gz XDHXTXCZDYDKTP-UHFFFAOYSA-N 2 2 446.618 -1.836 20 0 IAADLP Cc1[nH+]ccn1CCNC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000671962625 1067961013 /nfs/dbraw/zinc/96/10/13/1067961013.db2.gz RXVYPGSWKIGBFC-UHFFFAOYSA-N 2 2 427.531 -2.056 20 0 IAADLP C[C@H](NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C1CC[NH+](C)CC1 ZINC000672015423 1067961939 /nfs/dbraw/zinc/96/19/39/1067961939.db2.gz WKULICYVYFVETG-INIZCTEOSA-N 2 2 444.602 -1.531 20 0 IAADLP C[C@@H](NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C1CC[NH+](C)CC1 ZINC000672015424 1067961929 /nfs/dbraw/zinc/96/19/29/1067961929.db2.gz WKULICYVYFVETG-MRXNPFEDSA-N 2 2 444.602 -1.531 20 0 IAADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCCS(=O)(=O)N3CCSCC3)C2)CC1 ZINC000672352151 1067964557 /nfs/dbraw/zinc/96/45/57/1067964557.db2.gz JRKZWOXOGZLTIC-HNNXBMFYSA-N 2 2 447.627 -1.234 20 0 IAADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCCS(=O)(=O)N3CCSCC3)C2)CC1 ZINC000672352151 1067964554 /nfs/dbraw/zinc/96/45/54/1067964554.db2.gz JRKZWOXOGZLTIC-HNNXBMFYSA-N 2 2 447.627 -1.234 20 0 IAADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCCS(=O)(=O)N3CCSCC3)C2)CC1 ZINC000672352152 1067964470 /nfs/dbraw/zinc/96/44/70/1067964470.db2.gz JRKZWOXOGZLTIC-OAHLLOKOSA-N 2 2 447.627 -1.234 20 0 IAADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCCS(=O)(=O)N3CCSCC3)C2)CC1 ZINC000672352152 1067964464 /nfs/dbraw/zinc/96/44/64/1067964464.db2.gz JRKZWOXOGZLTIC-OAHLLOKOSA-N 2 2 447.627 -1.234 20 0 IAADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCN(C(=O)Cn4cnnn4)CC3)C2)CC1 ZINC000672637713 1067966691 /nfs/dbraw/zinc/96/66/91/1067966691.db2.gz NJZDPYNVARRTQA-HNNXBMFYSA-N 2 2 433.517 -2.371 20 0 IAADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCN(C(=O)Cn4cnnn4)CC3)C2)CC1 ZINC000672637713 1067966689 /nfs/dbraw/zinc/96/66/89/1067966689.db2.gz NJZDPYNVARRTQA-HNNXBMFYSA-N 2 2 433.517 -2.371 20 0 IAADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCN(C(=O)Cn4cnnn4)CC3)C2)CC1 ZINC000672637714 1067966671 /nfs/dbraw/zinc/96/66/71/1067966671.db2.gz NJZDPYNVARRTQA-OAHLLOKOSA-N 2 2 433.517 -2.371 20 0 IAADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCN(C(=O)Cn4cnnn4)CC3)C2)CC1 ZINC000672637714 1067966665 /nfs/dbraw/zinc/96/66/65/1067966665.db2.gz NJZDPYNVARRTQA-OAHLLOKOSA-N 2 2 433.517 -2.371 20 0 IAADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCN(C(=O)C(=O)NC4CC4)CC3)C2)CC1 ZINC000672639590 1067966498 /nfs/dbraw/zinc/96/64/98/1067966498.db2.gz QXPFVAMBCKZXND-INIZCTEOSA-N 2 2 434.541 -1.780 20 0 IAADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCN(C(=O)C(=O)NC4CC4)CC3)C2)CC1 ZINC000672639590 1067966494 /nfs/dbraw/zinc/96/64/94/1067966494.db2.gz QXPFVAMBCKZXND-INIZCTEOSA-N 2 2 434.541 -1.780 20 0 IAADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCN(C(=O)C(=O)NC4CC4)CC3)C2)CC1 ZINC000672639594 1067966558 /nfs/dbraw/zinc/96/65/58/1067966558.db2.gz QXPFVAMBCKZXND-MRXNPFEDSA-N 2 2 434.541 -1.780 20 0 IAADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCN(C(=O)C(=O)NC4CC4)CC3)C2)CC1 ZINC000672639594 1067966554 /nfs/dbraw/zinc/96/65/54/1067966554.db2.gz QXPFVAMBCKZXND-MRXNPFEDSA-N 2 2 434.541 -1.780 20 0 IAADLP Cn1ccnc(N2CCN(C(=O)C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)CC2)c1=O ZINC000672642045 1067966588 /nfs/dbraw/zinc/96/65/88/1067966588.db2.gz WNJWUGQMDCGBEN-INIZCTEOSA-N 2 2 431.541 -1.286 20 0 IAADLP Cn1ccnc(N2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)CC2)c1=O ZINC000672642045 1067966584 /nfs/dbraw/zinc/96/65/84/1067966584.db2.gz WNJWUGQMDCGBEN-INIZCTEOSA-N 2 2 431.541 -1.286 20 0 IAADLP Cn1ccnc(N2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)CC2)c1=O ZINC000672642046 1067966473 /nfs/dbraw/zinc/96/64/73/1067966473.db2.gz WNJWUGQMDCGBEN-MRXNPFEDSA-N 2 2 431.541 -1.286 20 0 IAADLP Cn1ccnc(N2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)CC2)c1=O ZINC000672642046 1067966469 /nfs/dbraw/zinc/96/64/69/1067966469.db2.gz WNJWUGQMDCGBEN-MRXNPFEDSA-N 2 2 431.541 -1.286 20 0 IAADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000672696866 1067966604 /nfs/dbraw/zinc/96/66/04/1067966604.db2.gz GJNIJPUKPPDPCZ-KRWDZBQOSA-N 2 2 444.602 -1.387 20 0 IAADLP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000672696871 1067966435 /nfs/dbraw/zinc/96/64/35/1067966435.db2.gz GJNIJPUKPPDPCZ-QGZVFWFLSA-N 2 2 444.602 -1.387 20 0 IAADLP CCN1C(=O)[C@@H]2C[NH+](CCOCC[N@H+]3CCN4C(=O)N(CC)C(=O)[C@@H]4C3)CCN2C1=O ZINC000674502332 1067977357 /nfs/dbraw/zinc/97/73/57/1067977357.db2.gz TZJIJPZCXIYQMJ-HOTGVXAUSA-N 2 2 436.513 -1.060 20 0 IAADLP CCN1C(=O)[C@@H]2C[NH+](CCOCC[N@@H+]3CCN4C(=O)N(CC)C(=O)[C@@H]4C3)CCN2C1=O ZINC000674502332 1067977352 /nfs/dbraw/zinc/97/73/52/1067977352.db2.gz TZJIJPZCXIYQMJ-HOTGVXAUSA-N 2 2 436.513 -1.060 20 0 IAADLP CCN1C(=O)[C@H]2C[NH+](CCOCC[N@H+]3CCN4C(=O)N(CC)C(=O)[C@H]4C3)CCN2C1=O ZINC000674502333 1067977227 /nfs/dbraw/zinc/97/72/27/1067977227.db2.gz TZJIJPZCXIYQMJ-HZPDHXFCSA-N 2 2 436.513 -1.060 20 0 IAADLP CCN1C(=O)[C@H]2C[NH+](CCOCC[N@@H+]3CCN4C(=O)N(CC)C(=O)[C@H]4C3)CCN2C1=O ZINC000674502333 1067977224 /nfs/dbraw/zinc/97/72/24/1067977224.db2.gz TZJIJPZCXIYQMJ-HZPDHXFCSA-N 2 2 436.513 -1.060 20 0 IAADLP CCN1C(=O)[C@H]2C[NH+](CCOCC[N@H+]3CCN4C(=O)N(CC)C(=O)[C@@H]4C3)CCN2C1=O ZINC000674502335 1067977316 /nfs/dbraw/zinc/97/73/16/1067977316.db2.gz TZJIJPZCXIYQMJ-IYBDPMFKSA-N 2 2 436.513 -1.060 20 0 IAADLP CCN1C(=O)[C@H]2C[NH+](CCOCC[N@@H+]3CCN4C(=O)N(CC)C(=O)[C@@H]4C3)CCN2C1=O ZINC000674502335 1067977310 /nfs/dbraw/zinc/97/73/10/1067977310.db2.gz TZJIJPZCXIYQMJ-IYBDPMFKSA-N 2 2 436.513 -1.060 20 0 IAADLP CCN1C(=O)[C@H]2C[N@@H+](CCOCC[NH+]3CCN4C(=O)N(CC)C(=O)[C@@H]4C3)CCN2C1=O ZINC000674502335 1067977305 /nfs/dbraw/zinc/97/73/05/1067977305.db2.gz TZJIJPZCXIYQMJ-IYBDPMFKSA-N 2 2 436.513 -1.060 20 0 IAADLP CCN1C(=O)[C@H]2C[N@H+](CCOCC[NH+]3CCN4C(=O)N(CC)C(=O)[C@@H]4C3)CCN2C1=O ZINC000674502335 1067977303 /nfs/dbraw/zinc/97/73/03/1067977303.db2.gz TZJIJPZCXIYQMJ-IYBDPMFKSA-N 2 2 436.513 -1.060 20 0 IAADLP CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)N[C@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)C2 ZINC000682417763 1068285516 /nfs/dbraw/zinc/28/55/16/1068285516.db2.gz SGTWXUXUXJCZCO-HNNXBMFYSA-N 2 2 434.545 -1.173 20 0 IAADLP CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)N[C@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)C2 ZINC000682417763 1068285507 /nfs/dbraw/zinc/28/55/07/1068285507.db2.gz SGTWXUXUXJCZCO-HNNXBMFYSA-N 2 2 434.545 -1.173 20 0 IAADLP CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)N[C@@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)C2 ZINC000682417764 1068285449 /nfs/dbraw/zinc/28/54/49/1068285449.db2.gz SGTWXUXUXJCZCO-OAHLLOKOSA-N 2 2 434.545 -1.173 20 0 IAADLP CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)N[C@@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)C2 ZINC000682417764 1068285437 /nfs/dbraw/zinc/28/54/37/1068285437.db2.gz SGTWXUXUXJCZCO-OAHLLOKOSA-N 2 2 434.545 -1.173 20 0 IAADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000685309592 1067653407 /nfs/dbraw/zinc/65/34/07/1067653407.db2.gz YPPQJJJIBKFRGW-DOTOQJQBSA-N 2 2 442.586 -1.778 20 0 IAADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000685309592 1067653403 /nfs/dbraw/zinc/65/34/03/1067653403.db2.gz YPPQJJJIBKFRGW-DOTOQJQBSA-N 2 2 442.586 -1.778 20 0 IAADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000685309602 1067653365 /nfs/dbraw/zinc/65/33/65/1067653365.db2.gz YPPQJJJIBKFRGW-NVXWUHKLSA-N 2 2 442.586 -1.778 20 0 IAADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000685309602 1067653356 /nfs/dbraw/zinc/65/33/56/1067653356.db2.gz YPPQJJJIBKFRGW-NVXWUHKLSA-N 2 2 442.586 -1.778 20 0 IAADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000685309605 1067654144 /nfs/dbraw/zinc/65/41/44/1067654144.db2.gz YPPQJJJIBKFRGW-RDJZCZTQSA-N 2 2 442.586 -1.778 20 0 IAADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000685309605 1067654139 /nfs/dbraw/zinc/65/41/39/1067654139.db2.gz YPPQJJJIBKFRGW-RDJZCZTQSA-N 2 2 442.586 -1.778 20 0 IAADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000685309608 1067654180 /nfs/dbraw/zinc/65/41/80/1067654180.db2.gz YPPQJJJIBKFRGW-WBVHZDCISA-N 2 2 442.586 -1.778 20 0 IAADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000685309608 1067654176 /nfs/dbraw/zinc/65/41/76/1067654176.db2.gz YPPQJJJIBKFRGW-WBVHZDCISA-N 2 2 442.586 -1.778 20 0 IAADLP CN(C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000729979464 1067994721 /nfs/dbraw/zinc/99/47/21/1067994721.db2.gz AWBROEYJJMEVQV-AATRIKPKSA-N 2 2 446.552 -1.206 20 0 IAADLP CN(C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000729979466 1067994563 /nfs/dbraw/zinc/99/45/63/1067994563.db2.gz AWBROEYJJMEVQV-WAYWQWQTSA-N 2 2 446.552 -1.206 20 0 IAADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(F)(F)C(F)(F)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000742663734 1068005197 /nfs/dbraw/zinc/00/51/97/1068005197.db2.gz HNJGIEAEVOVDGP-OKILXGFUSA-N 2 2 440.486 -1.019 20 0 IAADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(F)(F)C(F)(F)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000742663734 1068005183 /nfs/dbraw/zinc/00/51/83/1068005183.db2.gz HNJGIEAEVOVDGP-OKILXGFUSA-N 2 2 440.486 -1.019 20 0 IAADLP CN1CC[NH+](C)C[C@H]1CNC(=O)C(F)(F)C(F)(F)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000742663734 1068005171 /nfs/dbraw/zinc/00/51/71/1068005171.db2.gz HNJGIEAEVOVDGP-OKILXGFUSA-N 2 2 440.486 -1.019 20 0 IAADLP CN1CC[NH+](C)C[C@H]1CNC(=O)C(F)(F)C(F)(F)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000742663734 1068005142 /nfs/dbraw/zinc/00/51/42/1068005142.db2.gz HNJGIEAEVOVDGP-OKILXGFUSA-N 2 2 440.486 -1.019 20 0 IAADLP C[NH+]1CCO[C@H](C(=O)NCC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)NC(=O)OC(C)(C)C)C1 ZINC000746330453 1068008134 /nfs/dbraw/zinc/00/81/34/1068008134.db2.gz BKPRFTSSOOGNGX-HOTGVXAUSA-N 2 2 443.545 -1.227 20 0 IAADLP C[NH+]1CCO[C@H](C(=O)NCC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)NC(=O)OC(C)(C)C)C1 ZINC000746330453 1068008126 /nfs/dbraw/zinc/00/81/26/1068008126.db2.gz BKPRFTSSOOGNGX-HOTGVXAUSA-N 2 2 443.545 -1.227 20 0 IAADLP C[NH+]1CCO[C@@H](C(=O)NCC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)NC(=O)OC(C)(C)C)C1 ZINC000746330488 1068007973 /nfs/dbraw/zinc/00/79/73/1068007973.db2.gz BKPRFTSSOOGNGX-HZPDHXFCSA-N 2 2 443.545 -1.227 20 0 IAADLP C[NH+]1CCO[C@@H](C(=O)NCC(CNC(=O)[C@H]2C[N@H+](C)CCO2)NC(=O)OC(C)(C)C)C1 ZINC000746330488 1068007957 /nfs/dbraw/zinc/00/79/57/1068007957.db2.gz BKPRFTSSOOGNGX-HZPDHXFCSA-N 2 2 443.545 -1.227 20 0 IAADLP NS(=O)(=O)N1CC[NH+](CCCCCCCC[NH+]2CCN(S(N)(=O)=O)CC2)CC1 ZINC000746500017 1068013013 /nfs/dbraw/zinc/01/30/13/1068013013.db2.gz QUUMWPMQJJDMSM-UHFFFAOYSA-N 2 2 440.636 -1.031 20 0 IAADLP CN(C)C(=O)[C@H]1CN(C(=O)CC[NH+]2CCOCC2)CCN1C(=O)CC[NH+]1CCOCC1 ZINC000771559136 1068014197 /nfs/dbraw/zinc/01/41/97/1068014197.db2.gz JZEBWYYGBRVDJP-GOSISDBHSA-N 2 2 439.557 -1.441 20 0 IAADLP CN(C)C(=O)[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)CCN1C(=O)CC[NH+]1CCOCC1 ZINC000771559140 1068013995 /nfs/dbraw/zinc/01/39/95/1068013995.db2.gz JZEBWYYGBRVDJP-SFHVURJKSA-N 2 2 439.557 -1.441 20 0 IAADLP O=C(CC[NH+]1CCOCC1)NCCC(=O)N1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000778949381 1068250795 /nfs/dbraw/zinc/25/07/95/1068250795.db2.gz FEEIUAMSXFKQTE-UHFFFAOYSA-N 2 2 439.557 -1.392 20 0 IAADLP C[C@@H](CNC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)[NH+]1CCCCC1 ZINC000793697471 1068023155 /nfs/dbraw/zinc/02/31/55/1068023155.db2.gz HSHAFRNOJRBFLF-KRWDZBQOSA-N 2 2 444.602 -1.387 20 0 IAADLP C[C@H](CNC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)[NH+]1CCCCC1 ZINC000793697476 1068023568 /nfs/dbraw/zinc/02/35/68/1068023568.db2.gz HSHAFRNOJRBFLF-QGZVFWFLSA-N 2 2 444.602 -1.387 20 0 IAADLP COC(=O)[C@H]1[C@@H]2C[NH+](CC(=O)N3CCN(C(=O)C[N@H+]4C[C@H]5[C@H](C(=O)OC)[C@H]5C4)CC3)C[C@@H]21 ZINC000794975113 1068145034 /nfs/dbraw/zinc/14/50/34/1068145034.db2.gz WAFHUWAHXDZFKX-WGVHXZFPSA-N 2 2 448.520 -1.641 20 0 IAADLP COC(=O)[C@H]1[C@@H]2C[NH+](CC(=O)N3CCN(C(=O)C[N@@H+]4C[C@H]5[C@H](C(=O)OC)[C@H]5C4)CC3)C[C@@H]21 ZINC000794975113 1068145032 /nfs/dbraw/zinc/14/50/32/1068145032.db2.gz WAFHUWAHXDZFKX-WGVHXZFPSA-N 2 2 448.520 -1.641 20 0 IAADLP C[NH+]1CCN(C(=O)CCNC(=O)/C=C/C=C\C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000798291686 1068304950 /nfs/dbraw/zinc/30/49/50/1068304950.db2.gz WSFMBEOGBWSCSH-CIIODKQPSA-N 2 2 448.568 -1.341 20 0 IAADLP C[NH+]1CCN(C(=O)CCNC(=O)/C=C/C=C/C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000798291694 1068305320 /nfs/dbraw/zinc/30/53/20/1068305320.db2.gz WSFMBEOGBWSCSH-GGWOSOGESA-N 2 2 448.568 -1.341 20 0 IAADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000804061599 1068287727 /nfs/dbraw/zinc/28/77/27/1068287727.db2.gz ZJFDKOZVZFVVPG-CABCVRRESA-N 2 2 428.497 -1.009 20 0 IAADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000804061599 1068287716 /nfs/dbraw/zinc/28/77/16/1068287716.db2.gz ZJFDKOZVZFVVPG-CABCVRRESA-N 2 2 428.497 -1.009 20 0 IAADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000804061602 1068287945 /nfs/dbraw/zinc/28/79/45/1068287945.db2.gz ZJFDKOZVZFVVPG-GJZGRUSLSA-N 2 2 428.497 -1.009 20 0 IAADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000804061602 1068287942 /nfs/dbraw/zinc/28/79/42/1068287942.db2.gz ZJFDKOZVZFVVPG-GJZGRUSLSA-N 2 2 428.497 -1.009 20 0 IAADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000804061605 1068287881 /nfs/dbraw/zinc/28/78/81/1068287881.db2.gz ZJFDKOZVZFVVPG-HUUCEWRRSA-N 2 2 428.497 -1.009 20 0 IAADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000804061605 1068287877 /nfs/dbraw/zinc/28/78/77/1068287877.db2.gz ZJFDKOZVZFVVPG-HUUCEWRRSA-N 2 2 428.497 -1.009 20 0 IAADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000804061606 1068287978 /nfs/dbraw/zinc/28/79/78/1068287978.db2.gz ZJFDKOZVZFVVPG-LSDHHAIUSA-N 2 2 428.497 -1.009 20 0 IAADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000804061606 1068287973 /nfs/dbraw/zinc/28/79/73/1068287973.db2.gz ZJFDKOZVZFVVPG-LSDHHAIUSA-N 2 2 428.497 -1.009 20 0 IAADLP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000805383826 1068027358 /nfs/dbraw/zinc/02/73/58/1068027358.db2.gz QBWYBDQJXIDSHY-HNNXBMFYSA-N 2 2 432.587 -1.085 20 0 IAADLP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000805383826 1068027348 /nfs/dbraw/zinc/02/73/48/1068027348.db2.gz QBWYBDQJXIDSHY-HNNXBMFYSA-N 2 2 432.587 -1.085 20 0 IAADLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000805383827 1068027550 /nfs/dbraw/zinc/02/75/50/1068027550.db2.gz QBWYBDQJXIDSHY-OAHLLOKOSA-N 2 2 432.587 -1.085 20 0 IAADLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000805383827 1068027534 /nfs/dbraw/zinc/02/75/34/1068027534.db2.gz QBWYBDQJXIDSHY-OAHLLOKOSA-N 2 2 432.587 -1.085 20 0 IAADLP CN(C(=O)[C@H]1CCCN(S(N)(=O)=O)C1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001136638498 1068040866 /nfs/dbraw/zinc/04/08/66/1068040866.db2.gz BUXDFWMGLYKWET-INIZCTEOSA-N 2 2 444.602 -1.401 20 0 IAADLP CN(C(=O)[C@@H]1CCCN(S(N)(=O)=O)C1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001136638499 1068040977 /nfs/dbraw/zinc/04/09/77/1068040977.db2.gz BUXDFWMGLYKWET-MRXNPFEDSA-N 2 2 444.602 -1.401 20 0 IAADLP Cn1nnc2c(C(=O)N3CCC4(CC3)C(=O)N(CC[NH+](C)C)CC[N@@H+]4C)ncn2c1=O ZINC001152746020 1068327424 /nfs/dbraw/zinc/32/74/24/1068327424.db2.gz ZCPFKOGWYUPDQM-UHFFFAOYSA-N 2 2 431.501 -1.867 20 0 IAADLP Cn1nnc2c(C(=O)N3CCC4(CC3)C(=O)N(CC[NH+](C)C)CC[N@H+]4C)ncn2c1=O ZINC001152746020 1068327405 /nfs/dbraw/zinc/32/74/05/1068327405.db2.gz ZCPFKOGWYUPDQM-UHFFFAOYSA-N 2 2 431.501 -1.867 20 0 IAADLP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCCc1[nH+]ccn1C)C(=O)CF ZINC001157421895 1068332669 /nfs/dbraw/zinc/33/26/69/1068332669.db2.gz JCYFXLGGSGBJJX-DCGLDWPTSA-N 2 2 426.493 -1.020 20 0 IAADLP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC001157609881 1068333524 /nfs/dbraw/zinc/33/35/24/1068333524.db2.gz KPGJSPSBCBUWMA-QPJJXVBHSA-N 2 2 430.509 -1.849 20 0 IAADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC[NH2+]1 ZINC001158007773 1068335356 /nfs/dbraw/zinc/33/53/56/1068335356.db2.gz VSFSQXFLGACIGN-HRCADAONSA-N 2 2 425.530 -1.251 20 0 IAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC[NH2+]1 ZINC001158007774 1068335319 /nfs/dbraw/zinc/33/53/19/1068335319.db2.gz VSFSQXFLGACIGN-JYJNAYRXSA-N 2 2 425.530 -1.251 20 0 IAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001158352449 1068336369 /nfs/dbraw/zinc/33/63/69/1068336369.db2.gz PROKEGXYRHEGHJ-ORGXJRBJSA-N 2 2 443.552 -1.073 20 0 IAADLP O=C(N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001158680333 1068338264 /nfs/dbraw/zinc/33/82/64/1068338264.db2.gz DUCLQSIXEWTTJV-ASKKUZCQSA-N 2 2 448.549 -1.513 20 0 IAADLP O=C(N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001158680335 1068337970 /nfs/dbraw/zinc/33/79/70/1068337970.db2.gz DUCLQSIXEWTTJV-MFCZKXCZSA-N 2 2 448.549 -1.513 20 0 IAADLP O=C(N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001158680338 1068338021 /nfs/dbraw/zinc/33/80/21/1068338021.db2.gz DUCLQSIXEWTTJV-UIVXKWKOSA-N 2 2 448.549 -1.513 20 0 IAADLP O=C(N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001158680341 1068337889 /nfs/dbraw/zinc/33/78/89/1068337889.db2.gz DUCLQSIXEWTTJV-ZFCANOHDSA-N 2 2 448.549 -1.513 20 0 IAADLP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)N(Cc1noc2c1C[NH2+]CC2)S(C)(=O)=O ZINC001158734518 1068339443 /nfs/dbraw/zinc/33/94/43/1068339443.db2.gz BDQMORSXQNFHLY-LBPRGKRZSA-N 2 2 431.515 -1.133 20 0 IAADLP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001158822771 1068340171 /nfs/dbraw/zinc/34/01/71/1068340171.db2.gz ZTZAYALVDYZVNT-UHFFFAOYSA-N 2 2 432.441 -2.889 20 0 IAADLP CC(C)[N@@H+](C)Cc1n[nH]c2c1CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C2 ZINC001158855804 1068340230 /nfs/dbraw/zinc/34/02/30/1068340230.db2.gz IRWGZMAJGSBAMG-UHFFFAOYSA-N 2 2 436.517 -2.558 20 0 IAADLP CC(C)[N@H+](C)Cc1n[nH]c2c1CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C2 ZINC001158855804 1068340220 /nfs/dbraw/zinc/34/02/20/1068340220.db2.gz IRWGZMAJGSBAMG-UHFFFAOYSA-N 2 2 436.517 -2.558 20 0 IAADLP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001159073794 1068343144 /nfs/dbraw/zinc/34/31/44/1068343144.db2.gz DZXNENAMPYAKLY-JSGCOSHPSA-N 2 2 448.528 -2.600 20 0 IAADLP CC(=O)NCSC[C@H]([NH3+])C(=O)N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001159074747 1068343418 /nfs/dbraw/zinc/34/34/18/1068343418.db2.gz KUTJYVVNPFXLTN-HNNXBMFYSA-N 2 2 437.570 -1.154 20 0 IAADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)CC2 ZINC001159075266 1068344453 /nfs/dbraw/zinc/34/44/53/1068344453.db2.gz LSEQDSFXZKCOSI-KRWDZBQOSA-N 3 2 432.573 -1.557 20 0 IAADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)CC2 ZINC001159075269 1068343878 /nfs/dbraw/zinc/34/38/78/1068343878.db2.gz LSEQDSFXZKCOSI-QGZVFWFLSA-N 3 2 432.573 -1.557 20 0 IAADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@@H]1CNC(=O)C13CC[NH2+]CC3)CC2 ZINC001159075930 1068344327 /nfs/dbraw/zinc/34/43/27/1068344327.db2.gz QLNRHFQDPJEYND-INIZCTEOSA-N 2 2 443.552 -1.192 20 0 IAADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@H]1CNC(=O)C13CC[NH2+]CC3)CC2 ZINC001159075935 1068343735 /nfs/dbraw/zinc/34/37/35/1068343735.db2.gz QLNRHFQDPJEYND-MRXNPFEDSA-N 2 2 443.552 -1.192 20 0 IAADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)CN(CC[NH3+])S(C)(=O)=O)CC2 ZINC001159076814 1068343699 /nfs/dbraw/zinc/34/36/99/1068343699.db2.gz XKFDCXSWOATYGQ-UHFFFAOYSA-N 2 2 441.558 -2.087 20 0 IAADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001159077257 1068344131 /nfs/dbraw/zinc/34/41/31/1068344131.db2.gz NXSWOEMKJNIABE-LJPSSGMGSA-N 2 2 427.502 -2.051 20 0 IAADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001159077262 1068344239 /nfs/dbraw/zinc/34/42/39/1068344239.db2.gz NXSWOEMKJNIABE-MNUAXYBXSA-N 2 2 427.502 -2.051 20 0 IAADLP COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001159077264 1068343820 /nfs/dbraw/zinc/34/38/20/1068343820.db2.gz NXSWOEMKJNIABE-SSHHRWTQSA-N 2 2 427.502 -2.051 20 0 IAADLP COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001159077267 1068344086 /nfs/dbraw/zinc/34/40/86/1068344086.db2.gz NXSWOEMKJNIABE-WFTHSTBKSA-N 2 2 427.502 -2.051 20 0 IAADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O ZINC001159077302 1068344400 /nfs/dbraw/zinc/34/44/00/1068344400.db2.gz OLCRWAGSEYHHRJ-CJXDPKRBSA-N 2 2 441.529 -1.661 20 0 IAADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O ZINC001159077303 1068343934 /nfs/dbraw/zinc/34/39/34/1068343934.db2.gz OLCRWAGSEYHHRJ-DSEONOSFSA-N 2 2 441.529 -1.661 20 0 IAADLP COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O ZINC001159077304 1068343988 /nfs/dbraw/zinc/34/39/88/1068343988.db2.gz OLCRWAGSEYHHRJ-LYKCQVCGSA-N 2 2 441.529 -1.661 20 0 IAADLP COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O ZINC001159077305 1068344356 /nfs/dbraw/zinc/34/43/56/1068344356.db2.gz OLCRWAGSEYHHRJ-UJKGCTCZSA-N 2 2 441.529 -1.661 20 0 IAADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)C2)C1 ZINC001159124940 1068345446 /nfs/dbraw/zinc/34/54/46/1068345446.db2.gz AGTMPXAGONZTGG-BXTJHSDWSA-N 2 2 440.545 -2.229 20 0 IAADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)C2)C1 ZINC001159124940 1068345431 /nfs/dbraw/zinc/34/54/31/1068345431.db2.gz AGTMPXAGONZTGG-BXTJHSDWSA-N 2 2 440.545 -2.229 20 0 IAADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)C2)C1 ZINC001159124941 1068344917 /nfs/dbraw/zinc/34/49/17/1068344917.db2.gz AGTMPXAGONZTGG-MDOVXXIYSA-N 2 2 440.545 -2.229 20 0 IAADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)C2)C1 ZINC001159124941 1068344901 /nfs/dbraw/zinc/34/49/01/1068344901.db2.gz AGTMPXAGONZTGG-MDOVXXIYSA-N 2 2 440.545 -2.229 20 0 IAADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H]3COC(C)(C)N3C(=O)[C@H](C)[NH3+])C2)C1 ZINC001159125002 1068345195 /nfs/dbraw/zinc/34/51/95/1068345195.db2.gz BHLRNZHORLKREJ-CKJXQJPGSA-N 2 2 439.557 -1.016 20 0 IAADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H]3COC(C)(C)N3C(=O)[C@H](C)[NH3+])C2)C1 ZINC001159125002 1068345182 /nfs/dbraw/zinc/34/51/82/1068345182.db2.gz BHLRNZHORLKREJ-CKJXQJPGSA-N 2 2 439.557 -1.016 20 0 IAADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)[C@@H]3COC(C)(C)N3C(=O)[C@H](C)[NH3+])C2)C1 ZINC001159125003 1068344789 /nfs/dbraw/zinc/34/47/89/1068344789.db2.gz BHLRNZHORLKREJ-QYWGDWMGSA-N 2 2 439.557 -1.016 20 0 IAADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)[C@@H]3COC(C)(C)N3C(=O)[C@H](C)[NH3+])C2)C1 ZINC001159125003 1068344772 /nfs/dbraw/zinc/34/47/72/1068344772.db2.gz BHLRNZHORLKREJ-QYWGDWMGSA-N 2 2 439.557 -1.016 20 0 IAADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])C2)C1 ZINC001159125160 1068344663 /nfs/dbraw/zinc/34/46/63/1068344663.db2.gz CMQLLPVMWHGPQH-CKFHNAJUSA-N 2 2 426.518 -2.619 20 0 IAADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])C2)C1 ZINC001159125160 1068344653 /nfs/dbraw/zinc/34/46/53/1068344653.db2.gz CMQLLPVMWHGPQH-CKFHNAJUSA-N 2 2 426.518 -2.619 20 0 IAADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])C2)C1 ZINC001159125161 1068345248 /nfs/dbraw/zinc/34/52/48/1068345248.db2.gz CMQLLPVMWHGPQH-NJSLBKSFSA-N 2 2 426.518 -2.619 20 0 IAADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])C2)C1 ZINC001159125161 1068345235 /nfs/dbraw/zinc/34/52/35/1068345235.db2.gz CMQLLPVMWHGPQH-NJSLBKSFSA-N 2 2 426.518 -2.619 20 0 IAADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)C2)C1 ZINC001159126244 1068345317 /nfs/dbraw/zinc/34/53/17/1068345317.db2.gz MTFNAYXITLJFGU-HRAATJIYSA-N 2 2 441.573 -1.068 20 0 IAADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)C2)C1 ZINC001159126244 1068345300 /nfs/dbraw/zinc/34/53/00/1068345300.db2.gz MTFNAYXITLJFGU-HRAATJIYSA-N 2 2 441.573 -1.068 20 0 IAADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)C2)C1 ZINC001159126245 1068344735 /nfs/dbraw/zinc/34/47/35/1068344735.db2.gz MTFNAYXITLJFGU-KKSFZXQISA-N 2 2 441.573 -1.068 20 0 IAADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)C2)C1 ZINC001159126245 1068344718 /nfs/dbraw/zinc/34/47/18/1068344718.db2.gz MTFNAYXITLJFGU-KKSFZXQISA-N 2 2 441.573 -1.068 20 0 IAADLP CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@H]2C[C@H]4C[NH2+]C[C@H]4[NH2+]2)CC3)C1=O ZINC001159180340 1068346499 /nfs/dbraw/zinc/34/64/99/1068346499.db2.gz CWRQAXIBUXLBMZ-MFCZKXCZSA-N 2 2 439.582 -1.331 20 0 IAADLP CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@H]2C[C@H]4C[NH2+]C[C@H]4[NH2+]2)CC3)C1=O ZINC001159180341 1068346815 /nfs/dbraw/zinc/34/68/15/1068346815.db2.gz CWRQAXIBUXLBMZ-ZFCANOHDSA-N 2 2 439.582 -1.331 20 0 IAADLP CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@]24CC[C@@H]([NH2+]2)[C@H]([NH3+])C4)CC3)C1=O ZINC001159181524 1068346764 /nfs/dbraw/zinc/34/67/64/1068346764.db2.gz LQZMSIUTBIFMBY-IONDEXAJSA-N 2 2 439.582 -1.059 20 0 IAADLP CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@]24CC[C@@H]([NH2+]2)[C@H]([NH3+])C4)CC3)C1=O ZINC001159181554 1068346910 /nfs/dbraw/zinc/34/69/10/1068346910.db2.gz LQZMSIUTBIFMBY-IPZZXCBHSA-N 2 2 439.582 -1.059 20 0 IAADLP CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@]24C[NH2+]C[C@@H]2CC[NH2+]4)CC3)C1=O ZINC001159182497 1068347214 /nfs/dbraw/zinc/34/72/14/1068347214.db2.gz SQRDHYKJVMHECW-RYGJVYDSSA-N 2 2 439.582 -1.330 20 0 IAADLP CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@]24C[NH2+]C[C@H]2CC[NH2+]4)CC3)C1=O ZINC001159182501 1068347538 /nfs/dbraw/zinc/34/75/38/1068347538.db2.gz SQRDHYKJVMHECW-UIAACRFSSA-N 2 2 439.582 -1.330 20 0 IAADLP CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@]24C[NH2+]C[C@H]2CC[NH2+]4)CC3)C1=O ZINC001159182504 1068347155 /nfs/dbraw/zinc/34/71/55/1068347155.db2.gz SQRDHYKJVMHECW-XPGWFJOJSA-N 2 2 439.582 -1.330 20 0 IAADLP CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@]24C[NH2+]C[C@@H]2CC[NH2+]4)CC3)C1=O ZINC001159182506 1068347570 /nfs/dbraw/zinc/34/75/70/1068347570.db2.gz SQRDHYKJVMHECW-YSSFQJQWSA-N 2 2 439.582 -1.330 20 0 IAADLP CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)C2([NH3+])CC[NH2+]CC2)CC3)C1=O ZINC001159189254 1068347606 /nfs/dbraw/zinc/34/76/06/1068347606.db2.gz BSJNKELRHJLSAU-GOSISDBHSA-N 2 2 427.571 -1.200 20 0 IAADLP CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)C2([NH3+])CC[NH2+]CC2)CC3)C1=O ZINC001159189257 1068347471 /nfs/dbraw/zinc/34/74/71/1068347471.db2.gz BSJNKELRHJLSAU-SFHVURJKSA-N 2 2 427.571 -1.200 20 0 IAADLP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001159191053 1068348607 /nfs/dbraw/zinc/34/86/07/1068348607.db2.gz ABMQACCFUIAXEK-HNNXBMFYSA-N 2 2 449.512 -2.425 20 0 IAADLP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001159191054 1068348517 /nfs/dbraw/zinc/34/85/17/1068348517.db2.gz ABMQACCFUIAXEK-OAHLLOKOSA-N 2 2 449.512 -2.425 20 0 IAADLP O=C(CN1CC[NH2+]CC1=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159394289 1068350912 /nfs/dbraw/zinc/35/09/12/1068350912.db2.gz MSSAGVHRKPJDQK-LSDHHAIUSA-N 2 2 434.522 -1.750 20 0 IAADLP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001159424220 1068351356 /nfs/dbraw/zinc/35/13/56/1068351356.db2.gz FYSWMDBPYMTQBC-ORAACGOFSA-N 2 2 432.525 -1.021 20 0 IAADLP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001159424220 1068351350 /nfs/dbraw/zinc/35/13/50/1068351350.db2.gz FYSWMDBPYMTQBC-ORAACGOFSA-N 2 2 432.525 -1.021 20 0 IAADLP O=C(C[NH2+]C1CC[NH2+]CC1)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159456950 1068352116 /nfs/dbraw/zinc/35/21/16/1068352116.db2.gz BQDCWTDXAPSOFI-BRWVUGGUSA-N 2 2 428.555 -1.552 20 0 IAADLP O=C(C[NH2+]C1CC[NH2+]CC1)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159456951 1068352517 /nfs/dbraw/zinc/35/25/17/1068352517.db2.gz BQDCWTDXAPSOFI-GVDBMIGSSA-N 2 2 428.555 -1.552 20 0 IAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159459262 1068356355 /nfs/dbraw/zinc/35/63/55/1068356355.db2.gz WSKXYRBOOAUZHH-VVLHAWIVSA-N 2 2 439.538 -1.590 20 0 IAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159459265 1068356283 /nfs/dbraw/zinc/35/62/83/1068356283.db2.gz WSKXYRBOOAUZHH-WCXIOVBPSA-N 2 2 439.538 -1.590 20 0 IAADLP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001159514724 1068357567 /nfs/dbraw/zinc/35/75/67/1068357567.db2.gz JPHFREPBJLYJBL-UHFFFAOYSA-N 2 2 446.472 -3.438 20 0 IAADLP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001159514996 1068357505 /nfs/dbraw/zinc/35/75/05/1068357505.db2.gz NDPYKHFHEMRDQO-HOCLYGCPSA-N 2 2 443.512 -1.290 20 0 IAADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@@H]([NH3+])CCCNC(N)=O)C2 ZINC001159527375 1068358545 /nfs/dbraw/zinc/35/85/45/1068358545.db2.gz CLCDELVMXVATOG-CVEARBPZSA-N 2 2 437.545 -1.030 20 0 IAADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@@H]([NH3+])CCCNC(N)=O)C2 ZINC001159527379 1068358043 /nfs/dbraw/zinc/35/80/43/1068358043.db2.gz CLCDELVMXVATOG-HOTGVXAUSA-N 2 2 437.545 -1.030 20 0 IAADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@H]([NH3+])CCCNC(N)=O)C2 ZINC001159527380 1068358014 /nfs/dbraw/zinc/35/80/14/1068358014.db2.gz CLCDELVMXVATOG-HZPDHXFCSA-N 2 2 437.545 -1.030 20 0 IAADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@H]([NH3+])CCCNC(N)=O)C2 ZINC001159527382 1068358432 /nfs/dbraw/zinc/35/84/32/1068358432.db2.gz CLCDELVMXVATOG-JKSUJKDBSA-N 2 2 437.545 -1.030 20 0 IAADLP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001159530223 1068358588 /nfs/dbraw/zinc/35/85/88/1068358588.db2.gz SRXYJCUDMWKCQY-JYJNAYRXSA-N 2 2 438.529 -1.981 20 0 IAADLP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001159530224 1068358405 /nfs/dbraw/zinc/35/84/05/1068358405.db2.gz SRXYJCUDMWKCQY-XHSDSOJGSA-N 2 2 438.529 -1.981 20 0 IAADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@@H]1COC3(C[NH2+]C3)CN1)C2 ZINC001159530301 1068358204 /nfs/dbraw/zinc/35/82/04/1068358204.db2.gz UZMHSGFKPGXWTM-AEFFLSMTSA-N 2 2 434.541 -1.475 20 0 IAADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@H]1COC3(C[NH2+]C3)CN1)C2 ZINC001159530306 1068358281 /nfs/dbraw/zinc/35/82/81/1068358281.db2.gz UZMHSGFKPGXWTM-FUHWJXTLSA-N 2 2 434.541 -1.475 20 0 IAADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@H]1COC3(C[NH2+]C3)CN1)C2 ZINC001159530308 1068358501 /nfs/dbraw/zinc/35/85/01/1068358501.db2.gz UZMHSGFKPGXWTM-SJLPKXTDSA-N 2 2 434.541 -1.475 20 0 IAADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@@H]1COC3(C[NH2+]C3)CN1)C2 ZINC001159530309 1068358131 /nfs/dbraw/zinc/35/81/31/1068358131.db2.gz UZMHSGFKPGXWTM-WMZOPIPTSA-N 2 2 434.541 -1.475 20 0 IAADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)C2 ZINC001159530743 1068358104 /nfs/dbraw/zinc/35/81/04/1068358104.db2.gz XVPFIDCUTSGDND-HKUYNNGSSA-N 3 2 449.600 -1.055 20 0 IAADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)C2 ZINC001159530744 1068358177 /nfs/dbraw/zinc/35/81/77/1068358177.db2.gz XVPFIDCUTSGDND-IEBWSBKVSA-N 3 2 449.600 -1.055 20 0 IAADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)C2 ZINC001159530745 1068358475 /nfs/dbraw/zinc/35/84/75/1068358475.db2.gz XVPFIDCUTSGDND-MJGOQNOKSA-N 3 2 449.600 -1.055 20 0 IAADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)C2 ZINC001159530746 1068358254 /nfs/dbraw/zinc/35/82/54/1068358254.db2.gz XVPFIDCUTSGDND-PKOBYXMFSA-N 3 2 449.600 -1.055 20 0 IAADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@@H]1NC(=O)CC13C[NH2+]C3)C2 ZINC001159530892 1068358332 /nfs/dbraw/zinc/35/83/32/1068358332.db2.gz YMXXTSSCPWIXHU-BEFAXECRSA-N 2 2 432.525 -1.327 20 0 IAADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@H]1NC(=O)CC13C[NH2+]C3)C2 ZINC001159530893 1068358969 /nfs/dbraw/zinc/35/89/69/1068358969.db2.gz YMXXTSSCPWIXHU-DNVCBOLYSA-N 2 2 432.525 -1.327 20 0 IAADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@H]1NC(=O)CC13C[NH2+]C3)C2 ZINC001159530894 1068359202 /nfs/dbraw/zinc/35/92/02/1068359202.db2.gz YMXXTSSCPWIXHU-HNAYVOBHSA-N 2 2 432.525 -1.327 20 0 IAADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@@H]1NC(=O)CC13C[NH2+]C3)C2 ZINC001159530895 1068358815 /nfs/dbraw/zinc/35/88/15/1068358815.db2.gz YMXXTSSCPWIXHU-KXBFYZLASA-N 2 2 432.525 -1.327 20 0 IAADLP O=C(N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001159595758 1068359243 /nfs/dbraw/zinc/35/92/43/1068359243.db2.gz TVQBWEQFKYTYOR-JOMPHRNESA-N 2 2 433.534 -1.083 20 0 IAADLP O=C(N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001159595759 1068358846 /nfs/dbraw/zinc/35/88/46/1068358846.db2.gz TVQBWEQFKYTYOR-NLPMXTIOSA-N 2 2 433.534 -1.083 20 0 IAADLP O=C(N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001159595760 1068359221 /nfs/dbraw/zinc/35/92/21/1068359221.db2.gz TVQBWEQFKYTYOR-SQIBXOBRSA-N 2 2 433.534 -1.083 20 0 IAADLP O=C(N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001159595761 1068359581 /nfs/dbraw/zinc/35/95/81/1068359581.db2.gz TVQBWEQFKYTYOR-VYMYIBDJSA-N 2 2 433.534 -1.083 20 0 IAADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2 ZINC001159595847 1068359879 /nfs/dbraw/zinc/35/98/79/1068359879.db2.gz XEHJWFLYULHKLP-UQZKUAJDSA-N 2 2 433.534 -1.085 20 0 IAADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@@H]3CNC(=O)C34CC[NH2+]CC4)CC2)C1=O ZINC001159607559 1068359768 /nfs/dbraw/zinc/35/97/68/1068359768.db2.gz BAMSXVAEQUINCE-KRWDZBQOSA-N 3 2 434.585 -1.201 20 0 IAADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@@H]3CNC(=O)C34CC[NH2+]CC4)CC2)C1=O ZINC001159607559 1068359760 /nfs/dbraw/zinc/35/97/60/1068359760.db2.gz BAMSXVAEQUINCE-KRWDZBQOSA-N 3 2 434.585 -1.201 20 0 IAADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@H]3CNC(=O)C34CC[NH2+]CC4)CC2)C1=O ZINC001159607566 1068360956 /nfs/dbraw/zinc/36/09/56/1068360956.db2.gz BAMSXVAEQUINCE-QGZVFWFLSA-N 3 2 434.585 -1.201 20 0 IAADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@H]3CNC(=O)C34CC[NH2+]CC4)CC2)C1=O ZINC001159607566 1068360950 /nfs/dbraw/zinc/36/09/50/1068360950.db2.gz BAMSXVAEQUINCE-QGZVFWFLSA-N 3 2 434.585 -1.201 20 0 IAADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)CN(CC[NH3+])S(C)(=O)=O)CC2)C1=O ZINC001159609570 1068360491 /nfs/dbraw/zinc/36/04/91/1068360491.db2.gz IJKYOATYMLEJBO-UHFFFAOYSA-N 3 2 432.591 -2.097 20 0 IAADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)CN(CC[NH3+])S(C)(=O)=O)CC2)C1=O ZINC001159609570 1068360479 /nfs/dbraw/zinc/36/04/79/1068360479.db2.gz IJKYOATYMLEJBO-UHFFFAOYSA-N 3 2 432.591 -2.097 20 0 IAADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)Cn3cnc4c3nc(N)[nH]c4=O)CC2)C1=O ZINC001159609983 1068360438 /nfs/dbraw/zinc/36/04/38/1068360438.db2.gz LYGLARCUVDAMMX-UHFFFAOYSA-N 2 2 445.528 -1.189 20 0 IAADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)Cn3cnc4c3nc(N)[nH]c4=O)CC2)C1=O ZINC001159609983 1068360422 /nfs/dbraw/zinc/36/04/22/1068360422.db2.gz LYGLARCUVDAMMX-UHFFFAOYSA-N 2 2 445.528 -1.189 20 0 IAADLP CC(=O)NCSC[C@H]([NH3+])C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001159611084 1068360808 /nfs/dbraw/zinc/36/08/08/1068360808.db2.gz WQCNVSPQBGKCDJ-INIZCTEOSA-N 3 2 428.603 -1.163 20 0 IAADLP CC(=O)NCSC[C@H]([NH3+])C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001159611084 1068360799 /nfs/dbraw/zinc/36/07/99/1068360799.db2.gz WQCNVSPQBGKCDJ-INIZCTEOSA-N 3 2 428.603 -1.163 20 0 IAADLP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001159611319 1068360696 /nfs/dbraw/zinc/36/06/96/1068360696.db2.gz YMFOWUCBNLBVOZ-GJZGRUSLSA-N 3 2 439.561 -2.609 20 0 IAADLP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001159611319 1068360677 /nfs/dbraw/zinc/36/06/77/1068360677.db2.gz YMFOWUCBNLBVOZ-GJZGRUSLSA-N 3 2 439.561 -2.609 20 0 IAADLP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CCCn2c(nc(Cn3cc[nH+]c3)cc2=O)C1)C(N)=O ZINC001159632998 1068360870 /nfs/dbraw/zinc/36/08/70/1068360870.db2.gz DYSWFFICZLKPMP-DZGCQCFKSA-N 2 2 444.496 -1.682 20 0 IAADLP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCCn2c(nc(Cn3cc[nH+]c3)cc2=O)C1 ZINC001159633799 1068360925 /nfs/dbraw/zinc/36/09/25/1068360925.db2.gz RIVNSGRVYFUZOM-JSGCOSHPSA-N 2 2 430.469 -2.072 20 0 IAADLP O=C([C@@H]1CCS(=O)(=O)C12C[NH2+]C2)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001159635002 1068361556 /nfs/dbraw/zinc/36/15/56/1068361556.db2.gz GBAYTRQSHLEHEP-HNNXBMFYSA-N 2 2 432.506 -1.003 20 0 IAADLP O=C([C@H]1CCS(=O)(=O)C12C[NH2+]C2)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001159635005 1068361520 /nfs/dbraw/zinc/36/15/20/1068361520.db2.gz GBAYTRQSHLEHEP-OAHLLOKOSA-N 2 2 432.506 -1.003 20 0 IAADLP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001159758912 1068363304 /nfs/dbraw/zinc/36/33/04/1068363304.db2.gz UUDDJCAYJCCHHX-GRXQJBFDSA-N 2 2 438.573 -1.519 20 0 IAADLP CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC001159929702 1068364839 /nfs/dbraw/zinc/36/48/39/1068364839.db2.gz JOPBUMVOXOHQCQ-LWYYNNOASA-N 2 2 433.553 -1.024 20 0 IAADLP CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC001159929702 1068364831 /nfs/dbraw/zinc/36/48/31/1068364831.db2.gz JOPBUMVOXOHQCQ-LWYYNNOASA-N 2 2 433.553 -1.024 20 0 IAADLP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001159999363 1068365699 /nfs/dbraw/zinc/36/56/99/1068365699.db2.gz QHCMIHRTOOWWFT-RDJZCZTQSA-N 2 2 444.536 -1.313 20 0 IAADLP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001159999363 1068365690 /nfs/dbraw/zinc/36/56/90/1068365690.db2.gz QHCMIHRTOOWWFT-RDJZCZTQSA-N 2 2 444.536 -1.313 20 0 IAADLP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC001160462009 1068373672 /nfs/dbraw/zinc/37/36/72/1068373672.db2.gz ZPPIRMDHHLCXFN-UHFFFAOYSA-N 2 2 434.497 -2.483 20 0 IAADLP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[NH+](Cc2c[nH]c3ncccc23)CC1 ZINC001160566440 1068374715 /nfs/dbraw/zinc/37/47/15/1068374715.db2.gz QHFBAFWWSHXVOK-UHFFFAOYSA-N 2 2 444.496 -2.486 20 0 IAADLP CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C)C(=O)NCC(N)=O ZINC001160628960 1068376300 /nfs/dbraw/zinc/37/63/00/1068376300.db2.gz MVVGUZFYOPNHPF-JYJNAYRXSA-N 2 2 435.529 -1.587 20 0 IAADLP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1)C(N)=O ZINC001160839437 1068379242 /nfs/dbraw/zinc/37/92/42/1068379242.db2.gz PWYBMHWJRWOJNW-LSDHHAIUSA-N 2 2 432.529 -1.177 20 0 IAADLP CO[C@@H](C[NH+]1CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CC1)c1ccccc1 ZINC001160907183 1068380329 /nfs/dbraw/zinc/38/03/29/1068380329.db2.gz UNVBNKBTZCUFEB-KRWDZBQOSA-N 2 2 448.524 -2.174 20 0 IAADLP CO[C@H](C[NH+]1CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CC1)c1ccccc1 ZINC001160907184 1068380155 /nfs/dbraw/zinc/38/01/55/1068380155.db2.gz UNVBNKBTZCUFEB-QGZVFWFLSA-N 2 2 448.524 -2.174 20 0 IAADLP O=C([C@@H]1C[C@H](N2CCN(C(=O)[C@@]34C[NH2+]C[C@H]3CC[NH2+]4)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161119262 1068382439 /nfs/dbraw/zinc/38/24/39/1068382439.db2.gz OJZIJYJVGSJRJA-NARAOEGZSA-N 3 2 426.512 -1.320 20 0 IAADLP O=C([C@@H]1C[C@H](N2CCN(C(=O)[C@]34C[NH2+]C[C@H]3CC[NH2+]4)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161119263 1068382201 /nfs/dbraw/zinc/38/22/01/1068382201.db2.gz OJZIJYJVGSJRJA-OLPIVMHESA-N 3 2 426.512 -1.320 20 0 IAADLP O=C([C@@H]1C[C@H](N2CCN(C(=O)[C@]34C[NH2+]C[C@@H]3CC[NH2+]4)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161119264 1068382175 /nfs/dbraw/zinc/38/21/75/1068382175.db2.gz OJZIJYJVGSJRJA-ULMVMLMRSA-N 3 2 426.512 -1.320 20 0 IAADLP O=C([C@@H]1C[C@H](N2CCN(C(=O)[C@@]34C[NH2+]C[C@@H]3CC[NH2+]4)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161119265 1068382499 /nfs/dbraw/zinc/38/24/99/1068382499.db2.gz OJZIJYJVGSJRJA-ZKNHNOBHSA-N 3 2 426.512 -1.320 20 0 IAADLP O=C(CN1CC[NH2+]CC1=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161119640 1068382234 /nfs/dbraw/zinc/38/22/34/1068382234.db2.gz RHZPMKJJNCXEJA-GJZGRUSLSA-N 2 2 428.484 -1.840 20 0 IAADLP O=C([C@@H]1C[C@H](N2CCN(C(=O)[C@@H]3C[C@H]4C[NH2+]C[C@H]4[NH2+]3)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161120147 1068383116 /nfs/dbraw/zinc/38/31/16/1068383116.db2.gz ZXDXRYXXUWFYSE-QUSNUVHPSA-N 3 2 426.512 -1.321 20 0 IAADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)C1 ZINC001161138608 1068383729 /nfs/dbraw/zinc/38/37/29/1068383729.db2.gz WZXRJDQXDDLOCB-CIMWUQIDSA-N 2 2 445.492 -2.009 20 0 IAADLP COC(=O)[C@]1([NH3+])CCN(C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)C1 ZINC001161138609 1068383894 /nfs/dbraw/zinc/38/38/94/1068383894.db2.gz WZXRJDQXDDLOCB-UPDUFCCMSA-N 2 2 445.492 -2.009 20 0 IAADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)C1 ZINC001161138885 1068383858 /nfs/dbraw/zinc/38/38/58/1068383858.db2.gz GCIGEKLJQVUPQB-SGXKBVARSA-N 2 2 447.536 -1.084 20 0 IAADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)C1 ZINC001161138886 1068384054 /nfs/dbraw/zinc/38/40/54/1068384054.db2.gz GCIGEKLJQVUPQB-ZJBJCVSYSA-N 2 2 447.536 -1.084 20 0 IAADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)[NH3+])C1 ZINC001161139643 1068383387 /nfs/dbraw/zinc/38/33/87/1068383387.db2.gz ZNUMHQCDHJVQCA-KZDUYQQSSA-N 2 2 425.530 -1.042 20 0 IAADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)[NH3+])C1 ZINC001161139644 1068383474 /nfs/dbraw/zinc/38/34/74/1068383474.db2.gz ZNUMHQCDHJVQCA-VPCSNGCSSA-N 2 2 425.530 -1.042 20 0 IAADLP COC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001161146137 1068383598 /nfs/dbraw/zinc/38/35/98/1068383598.db2.gz NEFGUNYQTFZGFF-UAGQMJEPSA-N 2 2 433.509 -1.030 20 0 IAADLP COC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001161146137 1068383575 /nfs/dbraw/zinc/38/35/75/1068383575.db2.gz NEFGUNYQTFZGFF-UAGQMJEPSA-N 2 2 433.509 -1.030 20 0 IAADLP COC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001161146138 1068383798 /nfs/dbraw/zinc/38/37/98/1068383798.db2.gz NEFGUNYQTFZGFF-XIRDDKMYSA-N 2 2 433.509 -1.030 20 0 IAADLP COC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001161146138 1068383779 /nfs/dbraw/zinc/38/37/79/1068383779.db2.gz NEFGUNYQTFZGFF-XIRDDKMYSA-N 2 2 433.509 -1.030 20 0 IAADLP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1)C(N)=O ZINC001161197856 1068384456 /nfs/dbraw/zinc/38/44/56/1068384456.db2.gz HFPQCJBPUMWTCL-FUHWJXTLSA-N 3 2 440.589 -1.366 20 0 IAADLP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1 ZINC001161198791 1068384755 /nfs/dbraw/zinc/38/47/55/1068384755.db2.gz YIGOHXRWMBAASY-RDJZCZTQSA-N 3 2 426.562 -1.756 20 0 IAADLP COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC[NH2+]1 ZINC001161236565 1068384334 /nfs/dbraw/zinc/38/43/34/1068384334.db2.gz FGGGVXQLGVABDZ-HRCADAONSA-N 2 2 425.530 -1.299 20 0 IAADLP COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC[NH2+]1 ZINC001161236565 1068384316 /nfs/dbraw/zinc/38/43/16/1068384316.db2.gz FGGGVXQLGVABDZ-HRCADAONSA-N 2 2 425.530 -1.299 20 0 IAADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC[NH2+]1 ZINC001161236566 1068384514 /nfs/dbraw/zinc/38/45/14/1068384514.db2.gz FGGGVXQLGVABDZ-JYJNAYRXSA-N 2 2 425.530 -1.299 20 0 IAADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC[NH2+]1 ZINC001161236566 1068384505 /nfs/dbraw/zinc/38/45/05/1068384505.db2.gz FGGGVXQLGVABDZ-JYJNAYRXSA-N 2 2 425.530 -1.299 20 0 IAADLP C[NH+]1CCN(c2ccc(-n3cncc3C[C@H]([NH3+])C(=O)N3CCC[C@H]3C(N)=O)nn2)CC1 ZINC001162842499 1068392739 /nfs/dbraw/zinc/39/27/39/1068392739.db2.gz OITSLEWFCZTTAZ-HOTGVXAUSA-N 2 2 427.513 -1.240 20 0 IAADLP C[NH+]1CCN(C(=O)c2ccnc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)c2)CC1 ZINC001171260968 1068055635 /nfs/dbraw/zinc/05/56/35/1068055635.db2.gz IELZFSRBUVGCLA-VVHMCBODSA-N 2 2 445.480 -1.818 20 0 IAADLP C[NH+]1CCN(C(=O)c2cccc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)c2)CC1 ZINC001171266547 1068057453 /nfs/dbraw/zinc/05/74/53/1068057453.db2.gz KFXFOFCEHGNLCZ-DLVXIWMQSA-N 2 2 444.492 -1.213 20 0 IAADLP CCOCC[C@@H](C)n1c[nH+]c(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001172421903 1068062304 /nfs/dbraw/zinc/06/23/04/1068062304.db2.gz BTEBRJUNWBCNIG-PVAVHDDUSA-N 3 2 439.561 -1.044 20 0 IAADLP CCOCC[C@H](C)n1c[nH+]c(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001172421906 1068062404 /nfs/dbraw/zinc/06/24/04/1068062404.db2.gz BTEBRJUNWBCNIG-XIRDDKMYSA-N 3 2 439.561 -1.044 20 0 IAADLP CC(C)(C)OC(=O)C[NH+]1CCC(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)CC1 ZINC001172886456 1068062186 /nfs/dbraw/zinc/06/21/86/1068062186.db2.gz HCFVUFNFOZAUNQ-BNEJOLLZSA-N 2 2 439.513 -1.127 20 0 IAADLP C[N@H+]1C[C@H](C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179161414 1068071525 /nfs/dbraw/zinc/07/15/25/1068071525.db2.gz UQPWWGGLULOAOR-FXUDXRNXSA-N 2 2 439.561 -1.394 20 0 IAADLP C[N@@H+]1C[C@H](C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179161414 1068071508 /nfs/dbraw/zinc/07/15/08/1068071508.db2.gz UQPWWGGLULOAOR-FXUDXRNXSA-N 2 2 439.561 -1.394 20 0 IAADLP C[N@H+]1C[C@H](C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179161418 1068071252 /nfs/dbraw/zinc/07/12/52/1068071252.db2.gz UQPWWGGLULOAOR-LVQVYYBASA-N 2 2 439.561 -1.394 20 0 IAADLP C[N@@H+]1C[C@H](C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179161418 1068071248 /nfs/dbraw/zinc/07/12/48/1068071248.db2.gz UQPWWGGLULOAOR-LVQVYYBASA-N 2 2 439.561 -1.394 20 0 IAADLP C[N@H+]1C[C@H](C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179161419 1068071410 /nfs/dbraw/zinc/07/14/10/1068071410.db2.gz UQPWWGGLULOAOR-UGUYLWEFSA-N 2 2 439.561 -1.394 20 0 IAADLP C[N@@H+]1C[C@H](C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179161419 1068071399 /nfs/dbraw/zinc/07/13/99/1068071399.db2.gz UQPWWGGLULOAOR-UGUYLWEFSA-N 2 2 439.561 -1.394 20 0 IAADLP C[N@H+]1C[C@H](C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179161420 1068071189 /nfs/dbraw/zinc/07/11/89/1068071189.db2.gz UQPWWGGLULOAOR-WCVJEAGWSA-N 2 2 439.561 -1.394 20 0 IAADLP C[N@@H+]1C[C@H](C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179161420 1068071172 /nfs/dbraw/zinc/07/11/72/1068071172.db2.gz UQPWWGGLULOAOR-WCVJEAGWSA-N 2 2 439.561 -1.394 20 0 IAADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)CN3CCS(=O)(=O)CC3)CC2)C1=O ZINC001180594558 1068075960 /nfs/dbraw/zinc/07/59/60/1068075960.db2.gz RTZUCQQOABDSAV-UHFFFAOYSA-N 2 2 429.587 -1.586 20 0 IAADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)CN3CCS(=O)(=O)CC3)CC2)C1=O ZINC001180594558 1068075948 /nfs/dbraw/zinc/07/59/48/1068075948.db2.gz RTZUCQQOABDSAV-UHFFFAOYSA-N 2 2 429.587 -1.586 20 0 IAADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CC[NH+]1CCC(C(N)=O)CC1 ZINC001180612582 1068075659 /nfs/dbraw/zinc/07/56/59/1068075659.db2.gz ZXRAGDBHFGOSFQ-HOTGVXAUSA-N 2 2 433.513 -1.499 20 0 IAADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CC[NH+]1CCC(C(N)=O)CC1 ZINC001180612582 1068075647 /nfs/dbraw/zinc/07/56/47/1068075647.db2.gz ZXRAGDBHFGOSFQ-HOTGVXAUSA-N 2 2 433.513 -1.499 20 0 IAADLP C[C@@H]1NC(=O)[C@H](CCC(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)NC1=O ZINC001184073644 1068087697 /nfs/dbraw/zinc/08/76/97/1068087697.db2.gz CYFQXIAKVDEIAB-HOTGVXAUSA-N 2 2 436.557 -1.534 20 0 IAADLP C[C@@H]1NC(=O)[C@H](CCC(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)NC1=O ZINC001184073644 1068087681 /nfs/dbraw/zinc/08/76/81/1068087681.db2.gz CYFQXIAKVDEIAB-HOTGVXAUSA-N 2 2 436.557 -1.534 20 0 IAADLP CCOC(=O)N[C@@H](CC(N)=O)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001185867594 1068092911 /nfs/dbraw/zinc/09/29/11/1068092911.db2.gz MGXUFVVZTAXVTQ-HNNXBMFYSA-N 2 2 440.545 -1.327 20 0 IAADLP CCOC(=O)N[C@@H](CC(N)=O)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001185867594 1068092896 /nfs/dbraw/zinc/09/28/96/1068092896.db2.gz MGXUFVVZTAXVTQ-HNNXBMFYSA-N 2 2 440.545 -1.327 20 0 IAADLP CC(=O)N[C@@H](CO)C(=O)NCC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001186595036 1068096517 /nfs/dbraw/zinc/09/65/17/1068096517.db2.gz OOPIRVRYVPOIQO-INIZCTEOSA-N 2 2 440.545 -2.704 20 0 IAADLP CC(=O)N[C@@H](CO)C(=O)NCC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001186595036 1068096501 /nfs/dbraw/zinc/09/65/01/1068096501.db2.gz OOPIRVRYVPOIQO-INIZCTEOSA-N 2 2 440.545 -2.704 20 0 IAADLP C[NH+]1CCN(c2cc[nH+]cc2C(=O)N[C@H]2[C@H](n3ccc(N)nc3=O)O[C@H](CO)[C@H]2O)CC1 ZINC001199360647 1068137057 /nfs/dbraw/zinc/13/70/57/1068137057.db2.gz VMXPYKPSEQBSNL-KLICCBINSA-N 2 2 445.480 -1.736 20 0 IAADLP [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001218668972 1068404576 /nfs/dbraw/zinc/40/45/76/1068404576.db2.gz LNTJXIDVLLJXJU-OALUTQOASA-N 2 2 446.508 -1.094 20 0 IAADLP CCN1CC[NH+](Cc2ccc(NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])cc2)CC1 ZINC001218846055 1068408462 /nfs/dbraw/zinc/40/84/62/1068408462.db2.gz OSFGTSIUGHELNT-UHFFFAOYSA-N 2 2 447.540 -1.930 20 0 IAADLP NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)C[NH2+]C2CC[NH2+]CC2)cc1Cl ZINC001218878219 1068410121 /nfs/dbraw/zinc/41/01/21/1068410121.db2.gz ANOIMAOYFWTZAY-UHFFFAOYSA-N 2 2 425.920 -1.085 20 0 IAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O ZINC001218878602 1068410182 /nfs/dbraw/zinc/41/01/82/1068410182.db2.gz FTERJAAVIGWWCN-VIFPVBQESA-N 2 2 436.903 -1.123 20 0 IAADLP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCCc1cn(C)c[nH+]1)C(=O)CF ZINC001219634110 1068412904 /nfs/dbraw/zinc/41/29/04/1068412904.db2.gz OGRBLPWWMHMSII-JDFRZJQESA-N 2 2 426.493 -1.020 20 0 IAADLP CC(C)(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219678111 1068413007 /nfs/dbraw/zinc/41/30/07/1068413007.db2.gz CUJOIMHMLROPNV-GJZGRUSLSA-N 2 2 433.575 -1.529 20 0 IAADLP COC(=O)[C@@H]1C[C@@H](NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)C[NH2+]1 ZINC001219965248 1068416386 /nfs/dbraw/zinc/41/63/86/1068416386.db2.gz FQHHEPPSZJQJEJ-AWYNBESOSA-N 2 2 445.492 -2.092 20 0 IAADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)C[NH2+]1 ZINC001219967825 1068416239 /nfs/dbraw/zinc/41/62/39/1068416239.db2.gz KWLDARKJOWCDCF-DFEOGRTESA-N 2 2 447.536 -1.167 20 0 IAADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)[NH3+])C[NH2+]1 ZINC001219968281 1068416352 /nfs/dbraw/zinc/41/63/52/1068416352.db2.gz YIUNKGYRSLQFDE-QRJUGERDSA-N 2 2 425.530 -1.125 20 0 IAADLP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H](C)[NH3+])c(N)nc2=O ZINC001220121968 1068417924 /nfs/dbraw/zinc/41/79/24/1068417924.db2.gz CHUSLIGZPSQOPI-OUAUKWLOSA-N 2 2 425.446 -1.976 20 0 IAADLP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H](C)[NH3+])c(N)nc2=O ZINC001220121971 1068417877 /nfs/dbraw/zinc/41/78/77/1068417877.db2.gz CHUSLIGZPSQOPI-VWYCJHECSA-N 2 2 425.446 -1.976 20 0 IAADLP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN2CC[NH2+]CC2=O)[C@@H](O)OC(C)(C)C)C1 ZINC001220507225 1068422125 /nfs/dbraw/zinc/42/21/25/1068422125.db2.gz UNYSTRJNPCKJPK-FLKCQLHMSA-N 3 2 429.562 -1.286 20 0 IAADLP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN2CC[NH2+]CC2=O)[C@@H](O)OC(C)(C)C)C1 ZINC001220507226 1068422064 /nfs/dbraw/zinc/42/20/64/1068422064.db2.gz UNYSTRJNPCKJPK-QERJWTBHSA-N 3 2 429.562 -1.286 20 0 IAADLP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN2CC[NH2+]CC2=O)[C@H](O)OC(C)(C)C)C1 ZINC001220507227 1068421965 /nfs/dbraw/zinc/42/19/65/1068421965.db2.gz UNYSTRJNPCKJPK-UNTXSKPGSA-N 3 2 429.562 -1.286 20 0 IAADLP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN2CC[NH2+]CC2=O)[C@H](O)OC(C)(C)C)C1 ZINC001220507228 1068422090 /nfs/dbraw/zinc/42/20/90/1068422090.db2.gz UNYSTRJNPCKJPK-ZZGLYJMHSA-N 3 2 429.562 -1.286 20 0 IAADLP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)CN2CC[NH2+]CC2=O)c2nonc21 ZINC001220747923 1068424430 /nfs/dbraw/zinc/42/44/30/1068424430.db2.gz CCAQTFDDHONQGW-UHFFFAOYSA-N 2 2 425.471 -1.803 20 0 IAADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC001220772941 1068425289 /nfs/dbraw/zinc/42/52/89/1068425289.db2.gz WFWPRNBPKLTHOR-BBWFWOEESA-N 2 2 433.465 -1.627 20 0 IAADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC001220772942 1068425215 /nfs/dbraw/zinc/42/52/15/1068425215.db2.gz WFWPRNBPKLTHOR-ULQDDVLXSA-N 2 2 433.465 -1.627 20 0 IAADLP COc1ccccc1Cn1c[nH+]cc1CNC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001220969010 1068426815 /nfs/dbraw/zinc/42/68/15/1068426815.db2.gz LBSOIZWJKVUYFK-UHFFFAOYSA-N 2 2 445.480 -2.137 20 0 IAADLP COC(=O)[C@H](CCc1cn(C)c[nH+]1)NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001221256514 1068430172 /nfs/dbraw/zinc/43/01/72/1068430172.db2.gz AVBUCYFGUQMRED-LBPRGKRZSA-N 2 2 425.446 -3.682 20 0 IAADLP COC(=O)[C@H](CCc1cn(C)c[nH+]1)NC(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC001221256577 1068430249 /nfs/dbraw/zinc/43/02/49/1068430249.db2.gz CUFWLWJALNCVJF-BZSNNMDCSA-N 2 2 447.492 -1.237 20 0 IAADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1 ZINC001221347609 1068431107 /nfs/dbraw/zinc/43/11/07/1068431107.db2.gz AHYKEBPEWSLFQS-QAETUUGQSA-N 2 2 445.524 -1.344 20 0 IAADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1 ZINC001221347609 1068431103 /nfs/dbraw/zinc/43/11/03/1068431103.db2.gz AHYKEBPEWSLFQS-QAETUUGQSA-N 2 2 445.524 -1.344 20 0 IAADLP CS(=O)(=O)N(CC[NH3+])CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001221348153 1068430905 /nfs/dbraw/zinc/43/09/05/1068430905.db2.gz HFTZFLJMQNJYRE-STQMWFEESA-N 2 2 429.503 -2.866 20 0 IAADLP CS(=O)(=O)N(CC[NH3+])CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001221348153 1068430897 /nfs/dbraw/zinc/43/08/97/1068430897.db2.gz HFTZFLJMQNJYRE-STQMWFEESA-N 2 2 429.503 -2.866 20 0 IAADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1([NH3+])CCC2(CC1)OCCO2 ZINC001221348471 1068431119 /nfs/dbraw/zinc/43/11/19/1068431119.db2.gz JTPZEKVVDVHDQH-GJZGRUSLSA-N 2 2 434.497 -1.072 20 0 IAADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1([NH3+])CCC2(CC1)OCCO2 ZINC001221348471 1068431116 /nfs/dbraw/zinc/43/11/16/1068431116.db2.gz JTPZEKVVDVHDQH-GJZGRUSLSA-N 2 2 434.497 -1.072 20 0 IAADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cnc(N2CC[NH2+]CC2)cn1 ZINC001221348537 1068431148 /nfs/dbraw/zinc/43/11/48/1068431148.db2.gz LEOBLQADQAQEOK-HOCLYGCPSA-N 2 2 441.496 -1.573 20 0 IAADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cnc(N2CC[NH2+]CC2)cn1 ZINC001221348537 1068431145 /nfs/dbraw/zinc/43/11/45/1068431145.db2.gz LEOBLQADQAQEOK-HOCLYGCPSA-N 2 2 441.496 -1.573 20 0 IAADLP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001221348619 1068430955 /nfs/dbraw/zinc/43/09/55/1068430955.db2.gz LZLGXXDEVCFTSN-TUUVXOQKSA-N 2 2 435.529 -1.209 20 0 IAADLP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)COC1(C)C ZINC001221348623 1068431128 /nfs/dbraw/zinc/43/11/28/1068431128.db2.gz MEKDAXJBBZMZQB-MXAVVETBSA-N 2 2 449.512 -1.776 20 0 IAADLP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)C1(F)C[NH2+]C1)C(N)=O ZINC001221352556 1068431678 /nfs/dbraw/zinc/43/16/78/1068431678.db2.gz WQOXYPRRBCMEKK-KKUMJFAQSA-N 2 2 442.536 -1.471 20 0 IAADLP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)C1([NH3+])COC1)C(N)=O ZINC001221352560 1068431720 /nfs/dbraw/zinc/43/17/20/1068431720.db2.gz WVGFVWQLUGLERL-KKUMJFAQSA-N 2 2 440.545 -2.055 20 0 IAADLP NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)C[NH2+]C[C@@H](O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1 ZINC001246011487 1068442101 /nfs/dbraw/zinc/44/21/01/1068442101.db2.gz IHJNZEUPVKELRN-HRCADAONSA-N 2 2 427.452 -1.622 20 0 IAADLP CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n([C@H]1CC[NH2+]C3(CNC3)C1)c(N)nc2=O ZINC001246271158 1068443339 /nfs/dbraw/zinc/44/33/39/1068443339.db2.gz XVAKVPUMJWQQKW-KBPBESRZSA-N 2 2 448.528 -1.058 20 0 IAADLP CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n([C@@H]1CC[NH2+]C3(CNC3)C1)c(N)nc2=O ZINC001246271171 1068443445 /nfs/dbraw/zinc/44/34/45/1068443445.db2.gz XVAKVPUMJWQQKW-KGLIPLIRSA-N 2 2 448.528 -1.058 20 0 IAADLP COC(=O)[C@H](CCCC[NH2+][C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1)NC(=O)CNC(C)=O ZINC001246521467 1068445205 /nfs/dbraw/zinc/44/52/05/1068445205.db2.gz WHSWVPHMIDXKLW-JYJNAYRXSA-N 2 2 443.570 -1.196 20 0 IAADLP COC(=O)[C@H](CCCC[NH2+][C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1)NC(=O)CNC(C)=O ZINC001246521473 1068445174 /nfs/dbraw/zinc/44/51/74/1068445174.db2.gz WHSWVPHMIDXKLW-PMPSAXMXSA-N 2 2 443.570 -1.196 20 0 IAADLP COC(=O)[C@@H]1C[C@H](n2cnc(C[C@H]([NH3+])C(=O)N[C@@H](Cc3ccc(O)cc3)C(N)=O)c2)C[NH2+]1 ZINC001246522870 1068445015 /nfs/dbraw/zinc/44/50/15/1068445015.db2.gz KPUSVMOMUQZCAB-DKIMLUQUSA-N 2 2 444.492 -1.253 20 0 IAADLP COC(=O)[C@H]1C[C@@H](n2cnc(C[C@H]([NH3+])C(=O)N[C@@H](Cc3ccc(O)cc3)C(N)=O)c2)C[NH2+]1 ZINC001246522879 1068445090 /nfs/dbraw/zinc/44/50/90/1068445090.db2.gz KPUSVMOMUQZCAB-LAVFITLUSA-N 2 2 444.492 -1.253 20 0 IAADLP COC(=O)[C@H]1C[C@H](n2cnc(C[C@H]([NH3+])C(=O)N[C@@H](Cc3ccc(O)cc3)C(N)=O)c2)C[NH2+]1 ZINC001246522883 1068445043 /nfs/dbraw/zinc/44/50/43/1068445043.db2.gz KPUSVMOMUQZCAB-LEUOFYLZSA-N 2 2 444.492 -1.253 20 0 IAADLP COC(=O)[C@@H]1C[C@@H](n2cnc(C[C@H]([NH3+])C(=O)N[C@@H](Cc3ccc(O)cc3)C(N)=O)c2)C[NH2+]1 ZINC001246522887 1068444911 /nfs/dbraw/zinc/44/49/11/1068444911.db2.gz KPUSVMOMUQZCAB-UBDQQSCGSA-N 2 2 444.492 -1.253 20 0 IAADLP [NH3+]CC(=O)NCC(=O)NCC(=O)NCc1nc(-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC001248547320 1068446828 /nfs/dbraw/zinc/44/68/28/1068446828.db2.gz OWMRQLRKSBRQFG-UHFFFAOYSA-N 2 2 445.480 -1.624 20 0 IAADLP C[NH+]1CCN(CC(=O)NCCC(=O)N2CCN(C(=O)CN3CC[NH+](C)CC3)CC2)CC1 ZINC001254319560 1068460120 /nfs/dbraw/zinc/46/01/20/1068460120.db2.gz JBIVIRMMZOBALJ-UHFFFAOYSA-N 2 2 437.589 -2.342 20 0 IAADLP COC[C@](C)(CNC(=O)[C@@H](C)N1CC[NH+](C)CC1)NC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC001254696420 1068461016 /nfs/dbraw/zinc/46/10/16/1068461016.db2.gz IHKVRXFHKOVPKK-LQWHRVPQSA-N 2 2 426.606 -1.104 20 0 IAADLP COC[C@](C)(CNC(=O)[C@@H](C)N1CC[NH+](C)CC1)NC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC001254696421 1068461147 /nfs/dbraw/zinc/46/11/47/1068461147.db2.gz IHKVRXFHKOVPKK-OPYAIIAOSA-N 2 2 426.606 -1.104 20 0 IAADLP COC[C@](C)(CNC(=O)[C@H](C)N1CC[NH+](C)CC1)NC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC001254696422 1068461075 /nfs/dbraw/zinc/46/10/75/1068461075.db2.gz IHKVRXFHKOVPKK-UEXGIBASSA-N 2 2 426.606 -1.104 20 0 IAADLP COC[C@](C)(CNC(=O)[C@H](C)N1CC[NH+](C)CC1)NC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC001254696423 1068462083 /nfs/dbraw/zinc/46/20/83/1068462083.db2.gz IHKVRXFHKOVPKK-WFXMLNOXSA-N 2 2 426.606 -1.104 20 0 IAADLP CN(C(=O)c1cc(S(N)(=O)=O)cn1C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001256944848 1068466320 /nfs/dbraw/zinc/46/63/20/1068466320.db2.gz WPWFYIMBKUHQHC-UHFFFAOYSA-N 2 2 440.570 -1.017 20 0 IAADLP C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001303819966 1068504141 /nfs/dbraw/zinc/50/41/41/1068504141.db2.gz IOVDHAYPJYQKOH-CRAIPNDOSA-N 2 2 445.590 -1.277 20 0 IAADLP C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001303819966 1068504129 /nfs/dbraw/zinc/50/41/29/1068504129.db2.gz IOVDHAYPJYQKOH-CRAIPNDOSA-N 2 2 445.590 -1.277 20 0 IAADLP C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001303819967 1068504038 /nfs/dbraw/zinc/50/40/38/1068504038.db2.gz IOVDHAYPJYQKOH-MAUKXSAKSA-N 2 2 445.590 -1.277 20 0 IAADLP C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001303819967 1068504031 /nfs/dbraw/zinc/50/40/31/1068504031.db2.gz IOVDHAYPJYQKOH-MAUKXSAKSA-N 2 2 445.590 -1.277 20 0 IAADLP C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001303819968 1068504074 /nfs/dbraw/zinc/50/40/74/1068504074.db2.gz IOVDHAYPJYQKOH-QAPCUYQASA-N 2 2 445.590 -1.277 20 0 IAADLP C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001303819968 1068504067 /nfs/dbraw/zinc/50/40/67/1068504067.db2.gz IOVDHAYPJYQKOH-QAPCUYQASA-N 2 2 445.590 -1.277 20 0 IAADLP C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001303819969 1068503856 /nfs/dbraw/zinc/50/38/56/1068503856.db2.gz IOVDHAYPJYQKOH-YJBOKZPZSA-N 2 2 445.590 -1.277 20 0 IAADLP C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001303819969 1068503849 /nfs/dbraw/zinc/50/38/49/1068503849.db2.gz IOVDHAYPJYQKOH-YJBOKZPZSA-N 2 2 445.590 -1.277 20 0 IAADLP CCOC(CNC(=O)[C@@H](C)N1CC[NH+](C)CC1)CNC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC001320861015 1068539178 /nfs/dbraw/zinc/53/91/78/1068539178.db2.gz MQDCGZBWZZSQHR-QZTJIDSGSA-N 2 2 426.606 -1.104 20 0 IAADLP CCO[C@H](CNC(=O)[C@@H](C)N1CC[NH+](C)CC1)CNC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC001320861016 1068539281 /nfs/dbraw/zinc/53/92/81/1068539281.db2.gz MQDCGZBWZZSQHR-REPLKXPHSA-N 2 2 426.606 -1.104 20 0 IAADLP CCOC(CNC(=O)[C@H](C)N1CC[NH+](C)CC1)CNC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC001320861017 1068539332 /nfs/dbraw/zinc/53/93/32/1068539332.db2.gz MQDCGZBWZZSQHR-ROUUACIJSA-N 2 2 426.606 -1.104 20 0 IAADLP CN(C(=O)Cn1cc(S(N)(=O)=O)cn1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001325108089 1068552439 /nfs/dbraw/zinc/55/24/39/1068552439.db2.gz MXVPSSDLPGTCNP-UHFFFAOYSA-N 2 2 441.558 -1.773 20 0 IAADLP O=C(C[NH+]1CC[C@@H](n2cncn2)C1)N1CCN(C(=O)C[N@H+]2CC[C@H](n3cncn3)C2)CC1 ZINC001325835753 1068553628 /nfs/dbraw/zinc/55/36/28/1068553628.db2.gz NEEPLJJNDPFFBR-HDICACEKSA-N 2 2 442.528 -1.266 20 0 IAADLP O=C(C[NH+]1CC[C@@H](n2cncn2)C1)N1CCN(C(=O)C[N@@H+]2CC[C@H](n3cncn3)C2)CC1 ZINC001325835753 1068553614 /nfs/dbraw/zinc/55/36/14/1068553614.db2.gz NEEPLJJNDPFFBR-HDICACEKSA-N 2 2 442.528 -1.266 20 0 IAADLP O=C(C[NH+]1CC[C@@H](n2cncn2)C1)N1CCN(C(=O)C[N@H+]2CC[C@@H](n3cncn3)C2)CC1 ZINC001325835757 1068553476 /nfs/dbraw/zinc/55/34/76/1068553476.db2.gz NEEPLJJNDPFFBR-QZTJIDSGSA-N 2 2 442.528 -1.266 20 0 IAADLP O=C(C[NH+]1CC[C@@H](n2cncn2)C1)N1CCN(C(=O)C[N@@H+]2CC[C@@H](n3cncn3)C2)CC1 ZINC001325835757 1068553469 /nfs/dbraw/zinc/55/34/69/1068553469.db2.gz NEEPLJJNDPFFBR-QZTJIDSGSA-N 2 2 442.528 -1.266 20 0 IAADLP O=C(C[NH+]1CC[C@H](n2cncn2)C1)N1CCN(C(=O)C[N@H+]2CC[C@H](n3cncn3)C2)CC1 ZINC001325835763 1068554055 /nfs/dbraw/zinc/55/40/55/1068554055.db2.gz NEEPLJJNDPFFBR-ROUUACIJSA-N 2 2 442.528 -1.266 20 0 IAADLP O=C(C[NH+]1CC[C@H](n2cncn2)C1)N1CCN(C(=O)C[N@@H+]2CC[C@H](n3cncn3)C2)CC1 ZINC001325835763 1068554050 /nfs/dbraw/zinc/55/40/50/1068554050.db2.gz NEEPLJJNDPFFBR-ROUUACIJSA-N 2 2 442.528 -1.266 20 0 IAADLP CS(=O)(=O)NCC1CC[NH+](CC(O)C[NH+]2CCC(CNS(C)(=O)=O)CC2)CC1 ZINC001327876447 1068555667 /nfs/dbraw/zinc/55/56/67/1068555667.db2.gz YBUDQWNMFCBCMV-UHFFFAOYSA-N 2 2 440.632 -1.130 20 0 IAADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[NH+]2CCC(C(=O)NCCO)CC2)CC1 ZINC001330752712 1068556899 /nfs/dbraw/zinc/55/68/99/1068556899.db2.gz VDXCJPPEKZJVQR-UHFFFAOYSA-N 2 2 430.513 -1.168 20 0 IAADLP O=C(c1cc(S(=O)(=O)N2CCC[N@@H+](CCO)CC2)c[nH]1)N1CCC[NH+](CCO)CC1 ZINC001335332760 1068558673 /nfs/dbraw/zinc/55/86/73/1068558673.db2.gz KJHFXEIIZNLKCE-UHFFFAOYSA-N 2 2 443.570 -1.156 20 0 IAADLP O=C(c1cc(S(=O)(=O)N2CCC[N@H+](CCO)CC2)c[nH]1)N1CCC[NH+](CCO)CC1 ZINC001335332760 1068558661 /nfs/dbraw/zinc/55/86/61/1068558661.db2.gz KJHFXEIIZNLKCE-UHFFFAOYSA-N 2 2 443.570 -1.156 20 0 IAADLP O=C(c1cc(S(=O)(=O)N2CCC[NH+](CCO)CC2)c[nH]1)N1CCC[N@H+](CCO)CC1 ZINC001335332760 1068558647 /nfs/dbraw/zinc/55/86/47/1068558647.db2.gz KJHFXEIIZNLKCE-UHFFFAOYSA-N 2 2 443.570 -1.156 20 0 IAADLP O=C(c1cc(S(=O)(=O)N2CCC[NH+](CCO)CC2)c[nH]1)N1CCC[N@@H+](CCO)CC1 ZINC001335332760 1068558633 /nfs/dbraw/zinc/55/86/33/1068558633.db2.gz KJHFXEIIZNLKCE-UHFFFAOYSA-N 2 2 443.570 -1.156 20 0 IAADLP C[C@H](C(=O)NC[C@H](NC(=O)[C@@H](C)N1CC[NH+](C)CC1)c1cnn(C)c1)N1CC[NH+](C)CC1 ZINC001342386631 1068563919 /nfs/dbraw/zinc/56/39/19/1068563919.db2.gz CQHDJLKGSSDYIM-GGPKGHCWSA-N 2 2 448.616 -1.035 20 0 IAADLP C[C@H](C(=O)NC[C@H](NC(=O)[C@H](C)N1CC[NH+](C)CC1)c1cnn(C)c1)N1CC[NH+](C)CC1 ZINC001342386635 1068564001 /nfs/dbraw/zinc/56/40/01/1068564001.db2.gz CQHDJLKGSSDYIM-HBFSDRIKSA-N 2 2 448.616 -1.035 20 0 IAADLP C[C@H](C(=O)NC[C@@H](NC(=O)[C@@H](C)N1CC[NH+](C)CC1)c1cnn(C)c1)N1CC[NH+](C)CC1 ZINC001342386638 1068563982 /nfs/dbraw/zinc/56/39/82/1068563982.db2.gz CQHDJLKGSSDYIM-QWFCFKBJSA-N 2 2 448.616 -1.035 20 0 IAADLP C[C@H](C(=O)NC[C@@H](NC(=O)[C@H](C)N1CC[NH+](C)CC1)c1cnn(C)c1)N1CC[NH+](C)CC1 ZINC001342386642 1068564013 /nfs/dbraw/zinc/56/40/13/1068564013.db2.gz CQHDJLKGSSDYIM-WSTZPKSXSA-N 2 2 448.616 -1.035 20 0 IAADLP O=C(NCC[N@@H+]1CC[C@@H](O)C1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001467647667 1068583889 /nfs/dbraw/zinc/58/38/89/1068583889.db2.gz VEWJXIRRDZKKOC-MRXNPFEDSA-N 2 2 426.543 -1.101 20 0 IAADLP O=C(NCC[N@H+]1CC[C@@H](O)C1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001467647667 1068583871 /nfs/dbraw/zinc/58/38/71/1068583871.db2.gz VEWJXIRRDZKKOC-MRXNPFEDSA-N 2 2 426.543 -1.101 20 0 IAADLP CN(C)S(=O)(=O)N(C)CC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001542906008 1068629388 /nfs/dbraw/zinc/62/93/88/1068629388.db2.gz NHXPDUCGLNALID-UHFFFAOYSA-N 2 2 432.591 -1.579 20 0 IAADLP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC001649368146 1068708554 /nfs/dbraw/zinc/70/85/54/1068708554.db2.gz NODWQOZQWMIIRI-KRWDZBQOSA-N 2 2 445.586 -1.102 20 0 IAADLP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC001649368146 1068708542 /nfs/dbraw/zinc/70/85/42/1068708542.db2.gz NODWQOZQWMIIRI-KRWDZBQOSA-N 2 2 445.586 -1.102 20 0 IAADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC001649368147 1068708972 /nfs/dbraw/zinc/70/89/72/1068708972.db2.gz NODWQOZQWMIIRI-QGZVFWFLSA-N 2 2 445.586 -1.102 20 0 IAADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC001649368147 1068708962 /nfs/dbraw/zinc/70/89/62/1068708962.db2.gz NODWQOZQWMIIRI-QGZVFWFLSA-N 2 2 445.586 -1.102 20 0 IAADLP O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001665658712 1068719281 /nfs/dbraw/zinc/71/92/81/1068719281.db2.gz PNISZAOSZMJMNG-DLBZAZTESA-N 2 2 438.554 -1.006 20 0 IAADLP O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001665658712 1068719270 /nfs/dbraw/zinc/71/92/70/1068719270.db2.gz PNISZAOSZMJMNG-DLBZAZTESA-N 2 2 438.554 -1.006 20 0 IAADLP C[C@H](NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)[C@H]1C[N@@H+](C)CCN1C ZINC001676841872 1068722547 /nfs/dbraw/zinc/72/25/47/1068722547.db2.gz AVTJJOZKDKTZSA-DLBZAZTESA-N 2 2 431.607 -1.560 20 0 IAADLP C[C@H](NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)[C@H]1C[N@H+](C)CCN1C ZINC001676841872 1068722533 /nfs/dbraw/zinc/72/25/33/1068722533.db2.gz AVTJJOZKDKTZSA-DLBZAZTESA-N 2 2 431.607 -1.560 20 0 IAADLP C[C@@H](NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)[C@H]1C[N@@H+](C)CCN1C ZINC001676841873 1068722693 /nfs/dbraw/zinc/72/26/93/1068722693.db2.gz AVTJJOZKDKTZSA-IAGOWNOFSA-N 2 2 431.607 -1.560 20 0 IAADLP C[C@@H](NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)[C@H]1C[N@H+](C)CCN1C ZINC001676841873 1068722685 /nfs/dbraw/zinc/72/26/85/1068722685.db2.gz AVTJJOZKDKTZSA-IAGOWNOFSA-N 2 2 431.607 -1.560 20 0 IAADLP C[C@H](NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001676841874 1068722723 /nfs/dbraw/zinc/72/27/23/1068722723.db2.gz AVTJJOZKDKTZSA-IRXDYDNUSA-N 2 2 431.607 -1.560 20 0 IAADLP C[C@H](NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)[C@@H]1C[N@H+](C)CCN1C ZINC001676841874 1068722716 /nfs/dbraw/zinc/72/27/16/1068722716.db2.gz AVTJJOZKDKTZSA-IRXDYDNUSA-N 2 2 431.607 -1.560 20 0 IAADLP C[C@@H](NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001676841875 1068722420 /nfs/dbraw/zinc/72/24/20/1068722420.db2.gz AVTJJOZKDKTZSA-SJORKVTESA-N 2 2 431.607 -1.560 20 0 IAADLP C[C@@H](NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)[C@@H]1C[N@H+](C)CCN1C ZINC001676841875 1068722403 /nfs/dbraw/zinc/72/24/03/1068722403.db2.gz AVTJJOZKDKTZSA-SJORKVTESA-N 2 2 431.607 -1.560 20 0 IAADLP C[C@@H](CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)N1CC[NH+](C)CC1 ZINC001685805705 1068726113 /nfs/dbraw/zinc/72/61/13/1068726113.db2.gz GBQLZQLVWYOVCP-KRWDZBQOSA-N 2 2 431.607 -1.558 20 0 IAADLP C[C@H](CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)N1CC[NH+](C)CC1 ZINC001685805706 1068726075 /nfs/dbraw/zinc/72/60/75/1068726075.db2.gz GBQLZQLVWYOVCP-QGZVFWFLSA-N 2 2 431.607 -1.558 20 0 IAADLP