smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCn1cc(C#N)c(=O)n(CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)c1=O ZINC000028665062 1071360039 /nfs/dbraw/zinc/36/00/39/1071360039.db2.gz JJHJWSFKEUAZNJ-UHFFFAOYSA-N 1 2 423.437 -1.073 20 30 HAEDLO C=CCNC(=O)NC(=O)[C@H](C)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000051768582 1070858545 /nfs/dbraw/zinc/85/85/45/1070858545.db2.gz OGQFNMLXARBGOH-AWEZNQCLSA-N 1 2 402.521 -1.504 20 30 HAEDLO C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000051768583 1070858342 /nfs/dbraw/zinc/85/83/42/1070858342.db2.gz OGQFNMLXARBGOH-CQSZACIVSA-N 1 2 402.521 -1.504 20 30 HAEDLO CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000409580016 1071908736 /nfs/dbraw/zinc/90/87/36/1071908736.db2.gz JAFHIPUFYAESAD-HNNXBMFYSA-N 1 2 422.577 -1.177 20 30 HAEDLO CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000409580017 1071908816 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C#CCNc1nc(N2CCO[C@@H](C(=O)NC)C2)nc(N2CCO[C@@H](C(=O)NC)C2)[nH+]1 ZINC000804607334 1071708138 /nfs/dbraw/zinc/70/81/38/1071708138.db2.gz SMJMBGPLZFYMMP-CHWSQXEVSA-N 1 2 418.458 -2.759 20 30 HAEDLO C#CCNc1nc(N2CCO[C@H](C(=O)NC)C2)[nH+]c(N2CCO[C@H](C(=O)NC)C2)n1 ZINC000804607335 1071708242 /nfs/dbraw/zinc/70/82/42/1071708242.db2.gz SMJMBGPLZFYMMP-STQMWFEESA-N 1 2 418.458 -2.759 20 30 HAEDLO C#CCNc1nc(N2CCO[C@H](C(=O)NC)C2)nc(N2CCO[C@H](C(=O)NC)C2)[nH+]1 ZINC000804607335 1071708235 /nfs/dbraw/zinc/70/82/35/1071708235.db2.gz SMJMBGPLZFYMMP-STQMWFEESA-N 1 2 418.458 -2.759 20 30 HAEDLO C#CCNc1nc(N2CC[C@]3(CNC(=O)C3)C2)[nH+]c(N2CC[C@]3(CNC(=O)C3)C2)n1 ZINC000804674487 1071708691 /nfs/dbraw/zinc/70/86/91/1071708691.db2.gz RIKYVEHYTGMCOH-PMACEKPBSA-N 1 2 410.482 -1.229 20 30 HAEDLO C#CCNc1nc(N2CC[C@]3(CNC(=O)C3)C2)nc(N2CC[C@]3(CNC(=O)C3)C2)[nH+]1 ZINC000804674487 1071708683 /nfs/dbraw/zinc/70/86/83/1071708683.db2.gz RIKYVEHYTGMCOH-PMACEKPBSA-N 1 2 410.482 -1.229 20 30 HAEDLO C#CCNc1nc(N2CC[C@@]3(CNC(=O)C3)C2)[nH+]c(N2CC[C@@]3(CNC(=O)C3)C2)n1 ZINC000804674488 1071708918 /nfs/dbraw/zinc/70/89/18/1071708918.db2.gz RIKYVEHYTGMCOH-WOJBJXKFSA-N 1 2 410.482 -1.229 20 30 HAEDLO C#CCNc1nc(N2CC[C@@]3(CNC(=O)C3)C2)nc(N2CC[C@@]3(CNC(=O)C3)C2)[nH+]1 ZINC000804674488 1071708912 /nfs/dbraw/zinc/70/89/12/1071708912.db2.gz RIKYVEHYTGMCOH-WOJBJXKFSA-N 1 2 410.482 -1.229 20 30 HAEDLO C#CCNC(=O)CC[NH+]1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000815063753 1071727897 /nfs/dbraw/zinc/72/78/97/1071727897.db2.gz QEWAEWGDZQKIBZ-UHFFFAOYSA-N 1 2 414.509 -1.220 20 30 HAEDLO C=CCn1c(=O)n(CC=C)c(=O)n(C[NH+]2CCC(C(=O)NCCOC)CC2)c1=O ZINC000887566543 1071905915 /nfs/dbraw/zinc/90/59/15/1071905915.db2.gz FZRYRIUABFIHQT-UHFFFAOYSA-N 1 2 407.471 -1.024 20 30 HAEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001116052457 1072112378 /nfs/dbraw/zinc/11/23/78/1072112378.db2.gz YIEVJQYMTMBPIO-CVEARBPZSA-N 1 2 424.523 -1.694 20 30 HAEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001116052457 1072112376 /nfs/dbraw/zinc/11/23/76/1072112376.db2.gz YIEVJQYMTMBPIO-CVEARBPZSA-N 1 2 424.523 -1.694 20 30 HAEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001116052461 1072112282 /nfs/dbraw/zinc/11/22/82/1072112282.db2.gz YIEVJQYMTMBPIO-HOTGVXAUSA-N 1 2 424.523 -1.694 20 30 HAEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001116052461 1072112278 /nfs/dbraw/zinc/11/22/78/1072112278.db2.gz YIEVJQYMTMBPIO-HOTGVXAUSA-N 1 2 424.523 -1.694 20 30 HAEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001116052463 1072112297 /nfs/dbraw/zinc/11/22/97/1072112297.db2.gz YIEVJQYMTMBPIO-HZPDHXFCSA-N 1 2 424.523 -1.694 20 30 HAEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001116052463 1072112295 /nfs/dbraw/zinc/11/22/95/1072112295.db2.gz YIEVJQYMTMBPIO-HZPDHXFCSA-N 1 2 424.523 -1.694 20 30 HAEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001116052465 1072112315 /nfs/dbraw/zinc/11/23/15/1072112315.db2.gz YIEVJQYMTMBPIO-JKSUJKDBSA-N 1 2 424.523 -1.694 20 30 HAEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001116052465 1072112313 /nfs/dbraw/zinc/11/23/13/1072112313.db2.gz YIEVJQYMTMBPIO-JKSUJKDBSA-N 1 2 424.523 -1.694 20 30 HAEDLO C#CCN1CCN(C(=O)CN2C(=O)C(=O)N(CCC[NH+]3CCOCC3)C2=O)CC1 ZINC001165850684 1072237309 /nfs/dbraw/zinc/23/73/09/1072237309.db2.gz NLJNQIXVUQCFPD-UHFFFAOYSA-N 1 2 405.455 -1.723 20 30 HAEDLO N#C[C@]12CN(C(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C[C@H]1CS(=O)(=O)C2 ZINC001179651124 1071797710 /nfs/dbraw/zinc/79/77/10/1071797710.db2.gz JGFFZCWDOFURHF-RLFYNMQTSA-N 1 2 410.496 -1.436 20 30 HAEDLO N#C[C@]12CN(C(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C[C@H]1CS(=O)(=O)C2 ZINC001179651126 1071797643 /nfs/dbraw/zinc/79/76/43/1071797643.db2.gz JGFFZCWDOFURHF-RVKKMQEKSA-N 1 2 410.496 -1.436 20 30 HAEDLO CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)NCCC(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])C1 ZINC001220551068 1072270242 /nfs/dbraw/zinc/27/02/42/1072270242.db2.gz PIAYUKHVWNTCEX-WOPDTQHZSA-N 1 2 417.444 -2.265 20 30 HAEDLO N#C[C@@]12CN(C(=O)N[C@H]3CCN(CC[NH+]4CCOCC4)C3)C[C@H]1CS(=O)(=O)C2 ZINC001221894201 1072283278 /nfs/dbraw/zinc/28/32/78/1072283278.db2.gz OOILRJHSQJFUMD-BQFCYCMXSA-N 1 2 411.528 -1.027 20 30 HAEDLO N#C[C@@]12CN(C(=O)N[C@@H]3CCN(CC[NH+]4CCOCC4)C3)C[C@H]1CS(=O)(=O)C2 ZINC001221894202 1072283403 /nfs/dbraw/zinc/28/34/03/1072283403.db2.gz OOILRJHSQJFUMD-JZXOWHBKSA-N 1 2 411.528 -1.027 20 30 HAEDLO N#C[C@]12CN(C(=O)N[C@@H]3CCN(CC[NH+]4CCOCC4)C3)C[C@H]1CS(=O)(=O)C2 ZINC001221894203 1072283375 /nfs/dbraw/zinc/28/33/75/1072283375.db2.gz OOILRJHSQJFUMD-LZLYRXPVSA-N 1 2 411.528 -1.027 20 30 HAEDLO N#C[C@]12CN(C(=O)N[C@H]3CCN(CC[NH+]4CCOCC4)C3)C[C@H]1CS(=O)(=O)C2 ZINC001221894204 1072283419 /nfs/dbraw/zinc/28/34/19/1072283419.db2.gz OOILRJHSQJFUMD-XYJFISCASA-N 1 2 411.528 -1.027 20 30 HAEDLO C[N+](C)(C)C[C@H](O)CC(=O)OC1=NC(=O)NC(=O)C1N=C1C(=O)NC(=O)NC1=O ZINC001227473629 1072286715 /nfs/dbraw/zinc/28/67/15/1072286715.db2.gz OCBUWGKFQAMANP-ZCFIWIBFSA-O 1 2 411.351 -2.311 20 30 HAEDLO COc1cccc(OC)c1C[NH+]1CCC(N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)CC1 ZINC001255923038 1072326641 /nfs/dbraw/zinc/32/66/41/1072326641.db2.gz BTRIWEUBDHBFOS-LNKGRISISA-N 1 2 412.483 -1.100 20 30 HAEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ncn(C)n2)CC1 ZINC001286471586 1072346212 /nfs/dbraw/zinc/34/62/12/1072346212.db2.gz MDPZTLALHUEWDT-CYBMUJFWSA-N 1 2 407.504 -1.180 20 30 HAEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ncn(C)n2)CC1 ZINC001286471669 1072346142 /nfs/dbraw/zinc/34/61/42/1072346142.db2.gz MDPZTLALHUEWDT-ZDUSSCGKSA-N 1 2 407.504 -1.180 20 30 HAEDLO C#CC[NH+]1CCN(c2nnc(CN3CCCC3=O)n2CCS(=O)(=O)NC)CC1 ZINC001286484496 1072346118 /nfs/dbraw/zinc/34/61/18/1072346118.db2.gz LKSMVDQLAFIAOZ-UHFFFAOYSA-N 1 2 409.516 -1.295 20 30 HAEDLO C#CC[NH+]1CCN(c2nnc(CN3CCCC3=O)n2CCNS(C)(=O)=O)CC1 ZINC001300706679 1072490626 /nfs/dbraw/zinc/49/06/26/1072490626.db2.gz RCBCREGHJCBQDF-UHFFFAOYSA-N 1 2 409.516 -1.295 20 30 HAEDLO C=CCn1cc(CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)nn1 ZINC001312899059 1072381206 /nfs/dbraw/zinc/38/12/06/1072381206.db2.gz YJRWSEKIEZHFAS-UHFFFAOYSA-N 1 2 412.520 -1.217 20 30 HAEDLO C=CCN1C(=O)C(=O)N(CC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1=O ZINC001318640283 1072400612 /nfs/dbraw/zinc/40/06/12/1072400612.db2.gz COILWQXZPFHRNL-UHFFFAOYSA-N 1 2 400.457 -1.412 20 30 HAEDLO O=C(CCNC(=O)C1N=CC=CC1=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001322232971 1072434661 /nfs/dbraw/zinc/43/46/61/1072434661.db2.gz GJJBTSJGYHZZTO-HLAUDOPJSA-N 1 2 405.455 -1.048 20 30 HAEDLO O=C(CCNC(=O)C1N=CC=CC1=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001322232973 1072434719 /nfs/dbraw/zinc/43/47/19/1072434719.db2.gz GJJBTSJGYHZZTO-IWHJNQCMSA-N 1 2 405.455 -1.048 20 30 HAEDLO O=C(CCNC(=O)C1N=CC=CC1=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001322232974 1072434702 /nfs/dbraw/zinc/43/47/02/1072434702.db2.gz GJJBTSJGYHZZTO-JGWKNBOWSA-N 1 2 405.455 -1.048 20 30 HAEDLO O=C(CCNC(=O)C1N=CC=CC1=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001322232975 1072434724 /nfs/dbraw/zinc/43/47/24/1072434724.db2.gz GJJBTSJGYHZZTO-ORIGZDJFSA-N 1 2 405.455 -1.048 20 30 HAEDLO O=C(NCCNC(=O)C1N=CC=CC1=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001338864447 1072473576 /nfs/dbraw/zinc/47/35/76/1072473576.db2.gz IUBSEOJPNAKPPW-HMWBCQRISA-N 1 2 405.455 -1.190 20 30 HAEDLO O=C(NCCNC(=O)C1N=CC=CC1=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001338864503 1072473655 /nfs/dbraw/zinc/47/36/55/1072473655.db2.gz IUBSEOJPNAKPPW-RMYFCYLKSA-N 1 2 405.455 -1.190 20 30 HAEDLO O=C(NCCNC(=O)C1N=CC=CC1=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001338864504 1072473551 /nfs/dbraw/zinc/47/35/51/1072473551.db2.gz IUBSEOJPNAKPPW-STGLLQLASA-N 1 2 405.455 -1.190 20 30 HAEDLO O=C(NCCNC(=O)C1N=CC=CC1=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001338864505 1072473636 /nfs/dbraw/zinc/47/36/36/1072473636.db2.gz IUBSEOJPNAKPPW-UFOSLELVSA-N 1 2 405.455 -1.190 20 30 HAEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CCc2nc3c([nH]2)n(C)c(=O)[nH]c3=O)CC1 ZINC001338976728 1072473448 /nfs/dbraw/zinc/47/34/48/1072473448.db2.gz OKNLFWLVJLNOHC-UHFFFAOYSA-N 1 2 415.454 -1.422 20 30 HAEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CCc2nc3c([nH]2)n(C)c(=O)[nH]c3=O)CC1 ZINC001338976728 1072473444 /nfs/dbraw/zinc/47/34/44/1072473444.db2.gz OKNLFWLVJLNOHC-UHFFFAOYSA-N 1 2 415.454 -1.422 20 30 HAEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(=O)NCC=C)CC1 ZINC001359028812 1072491810 /nfs/dbraw/zinc/49/18/10/1072491810.db2.gz FJCGZJUWNPWBCC-AWEZNQCLSA-N 1 2 409.516 -1.054 20 30 HAEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(=O)NCC=C)CC1 ZINC001359028813 1072491915 /nfs/dbraw/zinc/49/19/15/1072491915.db2.gz FJCGZJUWNPWBCC-CQSZACIVSA-N 1 2 409.516 -1.054 20 30 HAEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cnnn2C)CC1 ZINC001359029154 1072491861 /nfs/dbraw/zinc/49/18/61/1072491861.db2.gz QDMPFIKUQCSCDS-CYBMUJFWSA-N 1 2 407.504 -1.180 20 30 HAEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cnnn2C)CC1 ZINC001359029155 1072491893 /nfs/dbraw/zinc/49/18/93/1072491893.db2.gz QDMPFIKUQCSCDS-ZDUSSCGKSA-N 1 2 407.504 -1.180 20 30 HAEDLO N#C[C@@]12CN(C(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C[C@H]1CS(=O)(=O)C2 ZINC001456211114 1072511050 /nfs/dbraw/zinc/51/10/50/1072511050.db2.gz JGFFZCWDOFURHF-MPGHIAIKSA-N 1 2 410.496 -1.436 20 30 HAEDLO N#C[C@@]12CN(C(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C[C@H]1CS(=O)(=O)C2 ZINC001456211118 1072511266 /nfs/dbraw/zinc/51/12/66/1072511266.db2.gz JGFFZCWDOFURHF-VKJFTORMSA-N 1 2 410.496 -1.436 20 30 HAEDLO C#CCNS(=O)(=O)N1CCN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC001471451813 1072534584 /nfs/dbraw/zinc/53/45/84/1072534584.db2.gz YWRKXKBQRFAPKA-UHFFFAOYSA-N 1 2 406.512 -1.185 20 30 HAEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CCOC2)CC1 ZINC001507721328 1072561028 /nfs/dbraw/zinc/56/10/28/1072561028.db2.gz IZYBWWZRGNAYEJ-PBHICJAKSA-N 1 2 412.516 -1.205 20 30 HAEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@]2(O)CCOC2)CC1 ZINC001507721330 1072561065 /nfs/dbraw/zinc/56/10/65/1072561065.db2.gz IZYBWWZRGNAYEJ-RHSMWYFYSA-N 1 2 412.516 -1.205 20 30 HAEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(O)CCOC2)CC1 ZINC001507721332 1072560923 /nfs/dbraw/zinc/56/09/23/1072560923.db2.gz IZYBWWZRGNAYEJ-WMLDXEAASA-N 1 2 412.516 -1.205 20 30 HAEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CCOC2)CC1 ZINC001507721335 1072560957 /nfs/dbraw/zinc/56/09/57/1072560957.db2.gz IZYBWWZRGNAYEJ-YOEHRIQHSA-N 1 2 412.516 -1.205 20 30 HAEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCNS(=O)(=O)CC)CC1 ZINC001507723566 1072561000 /nfs/dbraw/zinc/56/10/00/1072561000.db2.gz MXWZHOTWGYYSHM-AWEZNQCLSA-N 1 2 409.516 -1.076 20 30 HAEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCNS(=O)(=O)CC)CC1 ZINC001507723567 1072560989 /nfs/dbraw/zinc/56/09/89/1072560989.db2.gz MXWZHOTWGYYSHM-CQSZACIVSA-N 1 2 409.516 -1.076 20 30 HAEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(=O)N2CCOCC2)CC1 ZINC001507723789 1072561039 /nfs/dbraw/zinc/56/10/39/1072561039.db2.gz UVXKZFZCMSYBJK-HNNXBMFYSA-N 1 2 401.471 -1.157 20 30 HAEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(=O)N2CCOCC2)CC1 ZINC001507723790 1072561077 /nfs/dbraw/zinc/56/10/77/1072561077.db2.gz UVXKZFZCMSYBJK-OAHLLOKOSA-N 1 2 401.471 -1.157 20 30 HAEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2nncn2C)CC1 ZINC001539431746 1072579604 /nfs/dbraw/zinc/57/96/04/1072579604.db2.gz VXBFYBHQNJFRCF-CYBMUJFWSA-N 1 2 407.504 -1.180 20 30 HAEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2nncn2C)CC1 ZINC001539431751 1072579542 /nfs/dbraw/zinc/57/95/42/1072579542.db2.gz VXBFYBHQNJFRCF-ZDUSSCGKSA-N 1 2 407.504 -1.180 20 30 HAEDLO C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001558075048 1072608839 /nfs/dbraw/zinc/60/88/39/1072608839.db2.gz NTSIEVFBGBBZIV-CVEARBPZSA-N 1 2 400.501 -1.522 20 30 HAEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](CO)NC(=O)c2cccc(F)n2)CC1 ZINC001565589961 1072625387 /nfs/dbraw/zinc/62/53/87/1072625387.db2.gz GZZYSYMUCLIISA-HNNXBMFYSA-N 1 2 405.430 -1.405 20 30 HAEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](CO)NC(=O)c2cccc(F)n2)CC1 ZINC001565589961 1072625381 /nfs/dbraw/zinc/62/53/81/1072625381.db2.gz GZZYSYMUCLIISA-HNNXBMFYSA-N 1 2 405.430 -1.405 20 30 HAEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2[C@@H](O)C(=O)N(C)[C@@H]2c2cnn(C)c2)CC1 ZINC001584999888 1072635896 /nfs/dbraw/zinc/63/58/96/1072635896.db2.gz CZKWSTNNZGGGFD-KZNAEPCWSA-N 1 2 416.482 -1.806 20 30 HAEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2[C@@H](O)C(=O)N(C)[C@@H]2c2cnn(C)c2)CC1 ZINC001584999888 1072635893 /nfs/dbraw/zinc/63/58/93/1072635893.db2.gz CZKWSTNNZGGGFD-KZNAEPCWSA-N 1 2 416.482 -1.806 20 30 HAEDLO C#CC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2CCNS(C)(=O)=O)CC1 ZINC001588732877 1072642134 /nfs/dbraw/zinc/64/21/34/1072642134.db2.gz IMHZKNKJZAMTCH-UHFFFAOYSA-N 1 2 409.516 -1.182 20 30 HAEDLO C#CC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCC(=O)N2)CC1 ZINC001588741678 1072642107 /nfs/dbraw/zinc/64/21/07/1072642107.db2.gz GTOFWOBYXBNBLL-UONOGXRCSA-N 1 2 409.516 -1.078 20 30 HAEDLO C#CC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCC(=O)N2)CC1 ZINC001588741680 1072642102 /nfs/dbraw/zinc/64/21/02/1072642102.db2.gz GTOFWOBYXBNBLL-ZIAGYGMSSA-N 1 2 409.516 -1.078 20 30 HAEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(O)CC2)CC1 ZINC001588837560 1072642146 /nfs/dbraw/zinc/64/21/46/1072642146.db2.gz YHSBYBBEIGGCEU-HNNXBMFYSA-N 1 2 424.527 -1.109 20 30 HAEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(O)CC2)CC1 ZINC001588837561 1072642110 /nfs/dbraw/zinc/64/21/10/1072642110.db2.gz YHSBYBBEIGGCEU-OAHLLOKOSA-N 1 2 424.527 -1.109 20 30 HAEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CNS(=O)(=O)c2ccccc2N)CC1 ZINC001632623368 1072698806 /nfs/dbraw/zinc/69/88/06/1072698806.db2.gz BQVYQCQVJYIZNR-UHFFFAOYSA-N 1 2 407.496 -1.169 20 30 HAEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)CNS(=O)(=O)c2ccccc2N)CC1 ZINC001632623368 1072698801 /nfs/dbraw/zinc/69/88/01/1072698801.db2.gz BQVYQCQVJYIZNR-UHFFFAOYSA-N 1 2 407.496 -1.169 20 30 HAEDLO C#CCNS(=O)(=O)N1CCN(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)CC1 ZINC001685335350 1072798226 /nfs/dbraw/zinc/79/82/26/1072798226.db2.gz UJEFEOXHSPVQKQ-UHFFFAOYSA-N 1 2 401.489 -1.770 20 30 HAEDLO C#CCNS(=O)(=O)N1CCN(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)CC1 ZINC001685335350 1072798218 /nfs/dbraw/zinc/79/82/18/1072798218.db2.gz UJEFEOXHSPVQKQ-UHFFFAOYSA-N 1 2 401.489 -1.770 20 30 HAEDLO C#CC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2CCS(=O)(=O)NC)CC1 ZINC001690108959 1072801869 /nfs/dbraw/zinc/80/18/69/1072801869.db2.gz ANDVIUORQOBZII-UHFFFAOYSA-N 1 2 409.516 -1.182 20 30 HAEDLO